data_2xl8_qFit
_cell.length_a                    53.681
_cell.length_b                    53.681
_cell.length_c                    181.205
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      452211.918
_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     14.87
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              32.44
_refine.ls_d_res_high             1.14
_refine.pdbx_ls_sigma_F           1.32
_refine.ls_percent_reflns_obs     97.39
_refine.ls_number_reflns_obs      55921
_refine.ls_number_reflns_R_work   53921
_refine.ls_number_reflns_R_free   2000
_refine.ls_R_factor_obs           0.1758
_refine.ls_R_factor_R_work        0.1749
_refine.ls_R_factor_R_free        0.1999
_refine.ls_percent_reflns_R_free  3.58
_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             0.0704
_refine.pdbx_overall_phase_error  21.5905
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                19.20
_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 1332 0.0231 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1834 1.7968 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 178 0.1048 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 246 0.0137 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 479 14.8522 ? ?

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' 2.75 32.44 4183 0.1721 96.14 0.1977 156
   'X-RAY DIFFRACTION' 2.18 2.75 4029 0.1689 98.56 0.1745 148
   'X-RAY DIFFRACTION' 1.91 2.18 3967 0.1646 99.25 0.1964 148
   'X-RAY DIFFRACTION' 1.73 1.91 3948 0.1679 99.78 0.2085 146
   'X-RAY DIFFRACTION' 1.61 1.73 3971 0.1616 99.95 0.1796 147
   'X-RAY DIFFRACTION' 1.51 1.61 3903 0.1695 99.19 0.2167 145
   'X-RAY DIFFRACTION' 1.44 1.51 3873 0.1803 98.99 0.2213 144
   'X-RAY DIFFRACTION' 1.37 1.44 3872 0.1868 99.38 0.2099 143
   'X-RAY DIFFRACTION' 1.32 1.37 3892 0.1975 99.51 0.2486 145
   'X-RAY DIFFRACTION' 1.28 1.32 3837 0.1994 99.55 0.2172 142
   'X-RAY DIFFRACTION' 1.24 1.28 3893 0.2133 99.48 0.2296 144
   'X-RAY DIFFRACTION' 1.20 1.24 3832 0.2189 99.05 0.2274 142
   'X-RAY DIFFRACTION' 1.17 1.20 3649 0.2361 94.81 0.2500 136
   'X-RAY DIFFRACTION' 1.14 1.17 3072 0.2558 79.57 0.2744 114

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

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 126 C . 'Bond created based on atom type and distance.'
   C00002 covale CYS A 116 SG CYS A 115 SG . HEC A 1127 CAB HEC B . CAB . 'Bond created based on atom type and distance.'
   C00003 covale CYS A 119 SG CYS A 118 SG . HEC A 1127 CAC HEC B . CAC . 'Bond created based on atom type and distance.'
   C00004 covale HIS A 120 NE2 HIS A 119 NE2 . HEC A 1127 FE HEC B . FE . '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
   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 ? -3.34618 22.75700 27.46365 1.000 15.31007 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -1.99671 22.33323 27.16364 1.000 15.54204 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -1.65008 21.12947 28.01676 1.000 16.78869 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -1.71735 21.16847 29.23482 1.000 17.82461 O ? A ? 1 O 1
   ATOM 5 HA . PHE A 2 ? -1.90212 22.05547 26.23909 1.000 18.66309 H ? A ? 1 HA 1
   ATOM 6 CB A PHE A 2 ? -1.04626 23.48423 27.32823 0.667 15.96862 C ? A ? 1 CB 1
   ATOM 7 CG A PHE A 2 ? -1.46315 24.67842 26.48407 0.667 14.52864 C ? A ? 1 CG 1
   ATOM 8 CD1 A PHE A 2 ? -1.59598 24.55118 25.12556 0.667 14.16048 C ? A ? 1 CD1 1
   ATOM 9 CD2 A PHE A 2 ? -1.68564 25.90783 27.07180 0.667 12.86408 C ? A ? 1 CD2 1
   ATOM 10 CE1 A PHE A 2 ? -2.01021 25.62929 24.35197 0.667 13.43064 C ? A ? 1 CE1 1
   ATOM 11 CE2 A PHE A 2 ? -2.07684 26.96674 26.32685 0.667 13.30166 C ? A ? 1 CE2 1
   ATOM 12 CZ A PHE A 2 ? -2.22060 26.86819 24.96565 0.667 13.17941 C ? A ? 1 CZ 1
   ATOM 13 HB2 A PHE A 2 ? -1.03269 23.75791 28.25872 0.667 19.17499 H ? A ? 1 HB2 1
   ATOM 14 HB3 A PHE A 2 ? -0.15861 23.20891 27.05042 0.667 19.17499 H ? A ? 1 HB3 1
   ATOM 15 HD1 A PHE A 2 ? -1.40737 23.73674 24.71810 0.667 17.00522 H ? A ? 1 HD1 1
   ATOM 16 HD2 A PHE A 2 ? -1.56540 26.00874 27.98846 0.667 15.44953 H ? A ? 1 HD2 1
   ATOM 17 HE1 A PHE A 2 ? -2.14577 25.52794 23.43750 0.667 16.12941 H ? A ? 1 HE1 1
   ATOM 18 HE2 A PHE A 2 ? -2.25201 27.77839 26.74572 0.667 15.97463 H ? A ? 1 HE2 1
   ATOM 19 HZ A PHE A 2 ? -2.45404 27.61282 24.45975 0.667 15.82793 H ? A ? 1 HZ 1
   ATOM 20 CB B PHE A 2 ? -0.98228 23.48980 27.42809 0.333 15.83896 C ? A ? 1 CB 1
   ATOM 21 CG B PHE A 2 ? -1.38177 24.78079 26.76813 0.333 14.50431 C ? A ? 1 CG 1
   ATOM 22 CD1 B PHE A 2 ? -1.46918 24.80832 25.39281 0.333 11.86266 C ? A ? 1 CD1 1
   ATOM 23 CD2 B PHE A 2 ? -1.65182 25.93095 27.47946 0.333 12.41183 C ? A ? 1 CD2 1
   ATOM 24 CE1 B PHE A 2 ? -1.89308 25.97995 24.71640 0.333 11.24512 C ? A ? 1 CE1 1
   ATOM 25 CE2 B PHE A 2 ? -2.02571 27.09674 26.84078 0.333 13.42157 C ? A ? 1 CE2 1
   ATOM 26 CZ B PHE A 2 ? -2.19576 27.12344 25.46762 0.333 11.20845 C ? A ? 1 CZ 1
   ATOM 27 HB2 B PHE A 2 ? -0.92529 23.64676 28.38361 0.333 19.01940 H ? A ? 1 HB2 1
   ATOM 28 HB3 B PHE A 2 ? -0.11354 23.23243 27.08177 0.333 19.01940 H ? A ? 1 HB3 1
   ATOM 29 HD1 B PHE A 2 ? -1.24751 24.04953 24.90291 0.333 14.24784 H ? A ? 1 HD1 1
   ATOM 30 HD2 B PHE A 2 ? -1.58080 25.92125 28.40669 0.333 14.90684 H ? A ? 1 HD2 1
   ATOM 31 HE1 B PHE A 2 ? -1.96901 25.98944 23.78955 0.333 13.50679 H ? A ? 1 HE1 1
   ATOM 32 HE2 B PHE A 2 ? -2.16444 27.87055 27.33765 0.333 16.11852 H ? A ? 1 HE2 1
   ATOM 33 HZ B PHE A 2 ? -2.50771 27.89240 25.04775 0.333 13.46278 H ? A ? 1 HZ 1
   ATOM 34 N . ALA A 3 ? -1.23695 20.03166 27.36534 1.000 17.75813 N ? A ? 2 N 1
   ATOM 35 CA . ALA A 3 ? -0.94459 18.84134 28.13543 1.000 18.31567 C ? A ? 2 CA 1
   ATOM 36 C . ALA A 3 ? 0.33137 18.98762 28.93609 1.000 20.44599 C ? A ? 2 C 1
   ATOM 37 O . ALA A 3 ? 0.42114 18.44515 30.06927 1.000 21.07728 O ? A ? 2 O 1
   ATOM 38 CB . ALA A 3 ? -0.90083 17.66438 27.17169 1.000 20.85437 C ? A ? 2 CB 1
   ATOM 39 H . ALA A 3 ? -1.12614 19.96401 26.51520 1.000 21.32240 H ? A ? 2 H 1
   ATOM 40 HA . ALA A 3 ? -1.64128 18.67604 28.78981 1.000 21.99145 H ? A ? 2 HA 1
   ATOM 41 HB1 . ALA A 3 ? -0.72491 16.85250 27.67250 1.000 25.03789 H ? A ? 2 HB1 1
   ATOM 42 HB2 . ALA A 3 ? -1.75585 17.59501 26.71890 1.000 25.03789 H ? A ? 2 HB2 1
   ATOM 43 HB3 . ALA A 3 ? -0.19447 17.81291 26.52369 1.000 25.03789 H ? A ? 2 HB3 1
   ATOM 44 N . LYS A 4 ? 1.36160 19.64524 28.38053 1.000 17.83910 N ? A ? 3 N 1
   ATOM 45 CA . LYS A 4 ? 2.66117 19.86423 29.00299 1.000 18.50197 C ? A ? 3 CA 1
   ATOM 46 C . LYS A 4 ? 3.08761 21.32147 28.80985 1.000 16.96549 C ? A ? 3 C 1
   ATOM 47 O . LYS A 4 ? 2.55973 21.98699 27.87795 1.000 17.66916 O ? A ? 3 O 1
   ATOM 48 CB . LYS A 4 ? 3.76372 19.00203 28.36066 1.000 18.18465 C ? A ? 3 CB 1
   ATOM 49 CG . LYS A 4 ? 3.43582 17.49735 28.37570 1.000 23.17119 C ? A ? 3 CG 1
   ATOM 50 CD . LYS A 4 ? 4.58735 16.63720 27.83110 1.000 46.30340 C ? A ? 3 CD 1
   ATOM 51 CE . LYS A 4 ? 4.11608 15.21731 27.46610 1.000 51.70862 C ? A ? 3 CE 1
   ATOM 52 NZ . LYS A 4 ? 5.13713 14.51494 26.57832 1.000 64.64510 N ? A ? 3 NZ 1
   ATOM 53 H . LYS A 4 ? 1.32026 19.99180 27.59453 1.000 21.41956 H ? A ? 3 H 1
   ATOM 54 HA . LYS A 4 ? 2.57568 19.64909 29.94496 1.000 22.21500 H ? A ? 3 HA 1
   ATOM 55 HB2 . LYS A 4 ? 3.87805 19.27434 27.43671 1.000 21.83422 H ? A ? 3 HB2 1
   ATOM 56 HB3 . LYS A 4 ? 4.59094 19.13311 28.84995 1.000 21.83422 H ? A ? 3 HB3 1
   ATOM 57 HG2 . LYS A 4 ? 3.25958 17.22020 29.28840 1.000 27.81808 H ? A ? 3 HG2 1
   ATOM 58 HG3 . LYS A 4 ? 2.65442 17.33743 27.82367 1.000 27.81808 H ? A ? 3 HG3 1
   ATOM 59 HD2 . LYS A 4 ? 4.94724 17.05265 27.03187 1.000 55.57672 H ? A ? 3 HD2 1
   ATOM 60 HD3 . LYS A 4 ? 5.27927 16.56326 28.50688 1.000 55.57672 H ? A ? 3 HD3 1
   ATOM 61 HE2 . LYS A 4 ? 4.00319 14.69604 28.27630 1.000 62.06298 H ? A ? 3 HE2 1
   ATOM 62 HE3 . LYS A 4 ? 3.27522 15.26952 26.98533 1.000 62.06298 H ? A ? 3 HE3 1
   ATOM 63 HZ1 . LYS A 4 ? 4.80378 13.74502 26.28135 1.000 77.58677 H ? A ? 3 HZ1 1
   ATOM 64 HZ2 . LYS A 4 ? 5.33982 15.02991 25.88131 1.000 77.58677 H ? A ? 3 HZ2 1
   ATOM 65 HZ3 . LYS A 4 ? 5.87943 14.34917 27.04050 1.000 77.58677 H ? A ? 3 HZ3 1
   ATOM 66 N . PRO A 5 ? 4.06280 21.80085 29.57320 1.000 17.55948 N ? A ? 4 N 1
   ATOM 67 CA . PRO A 5 ? 4.59493 23.17185 29.31000 1.000 17.82970 C ? A ? 4 CA 1
   ATOM 68 C . PRO A 5 ? 5.02260 23.37172 27.88552 1.000 16.60253 C ? A ? 4 C 1
   ATOM 69 O . PRO A 5 ? 4.79903 24.47036 27.31315 1.000 16.22225 O ? A ? 4 O 1
   ATOM 70 CB . PRO A 5 ? 5.75635 23.36610 30.31988 1.000 19.86166 C ? A ? 4 CB 1
   ATOM 71 CG . PRO A 5 ? 5.45284 22.30852 31.37163 1.000 29.07224 C ? A ? 4 CG 1
   ATOM 72 CD . PRO A 5 ? 4.74540 21.19365 30.76429 1.000 18.54705 C ? A ? 4 CD 1
   ATOM 73 HA . PRO A 5 ? 3.91631 23.82507 29.54167 1.000 21.40828 H ? A ? 4 HA 1
   ATOM 74 HB2 . PRO A 5 ? 6.61153 23.20722 29.89056 1.000 23.84663 H ? A ? 4 HB2 1
   ATOM 75 HB3 . PRO A 5 ? 5.73500 24.25990 30.69613 1.000 23.84663 H ? A ? 4 HB3 1
   ATOM 76 HG2 . PRO A 5 ? 6.29026 21.99866 31.75060 1.000 34.89933 H ? A ? 4 HG2 1
   ATOM 77 HG3 . PRO A 5 ? 4.90322 22.70819 32.06379 1.000 34.89933 H ? A ? 4 HG3 1
   ATOM 78 HD2 . PRO A 5 ? 5.36790 20.50331 30.48711 1.000 22.26910 H ? A ? 4 HD2 1
   ATOM 79 HD3 . PRO A 5 ? 4.09394 20.82472 31.38105 1.000 22.26910 H ? A ? 4 HD3 1
   ATOM 80 N . GLU A 6 ? 5.55560 22.33724 27.24352 1.000 16.07967 N ? A ? 5 N 1
   ATOM 81 CA . GLU A 6 ? 6.01221 22.50994 25.88784 1.000 15.43714 C ? A ? 5 CA 1
   ATOM 82 C . GLU A 6 ? 4.87106 22.92026 24.97153 1.000 13.69353 C ? A ? 5 C 1
   ATOM 83 O . GLU A 6 ? 5.11806 23.54031 23.95324 1.000 14.57755 O ? A ? 5 O 1
   ATOM 84 CB . GLU A 6 ? 6.67026 21.23258 25.39058 1.000 15.16403 C ? A ? 5 CB 1
   ATOM 85 CG . GLU A 6 ? 8.06903 20.86185 25.94918 1.000 17.19181 C ? A ? 5 CG 1
   ATOM 86 CD . GLU A 6 ? 8.07667 20.20878 27.30416 1.000 18.77697 C ? A ? 5 CD 1
   ATOM 87 OE1 . GLU A 6 ? 7.06713 20.08577 28.02892 1.000 16.60885 O ? A ? 5 OE1 1
   ATOM 88 OE2 . GLU A 6 ? 9.28583 19.81039 27.63442 1.000 17.59919 O ? A ? 5 OE2 1
   ATOM 89 H . GLU A 6 ? 5.65830 21.54779 27.56880 1.000 19.30825 H ? A ? 5 H 1
   ATOM 90 HA . GLU A 6 ? 6.67865 23.21450 25.86908 1.000 18.53722 H ? A ? 5 HA 1
   ATOM 91 HB2 . GLU A 6 ? 6.08062 20.49381 25.60837 1.000 18.20948 H ? A ? 5 HB2 1
   ATOM 92 HB3 . GLU A 6 ? 6.76739 21.30699 24.42833 1.000 18.20948 H ? A ? 5 HB3 1
   ATOM 93 HG2 . GLU A 6 ? 8.49088 20.24534 25.33042 1.000 20.64281 H ? A ? 5 HG2 1
   ATOM 94 HG3 . GLU A 6 ? 8.59478 21.67406 26.01845 1.000 20.64281 H ? A ? 5 HG3 1
   ATOM 95 N . ASP A 7 ? 3.68781 22.39195 25.24037 1.000 14.57153 N ? A ? 6 N 1
   ATOM 96 CA . ASP A 7 ? 2.52961 22.72983 24.40893 1.000 14.67255 C ? A ? 6 CA 1
   ATOM 97 C . ASP A 7 ? 2.12936 24.18311 24.55691 1.000 13.46042 C ? A ? 6 C 1
   ATOM 98 O . ASP A 7 ? 1.75252 24.82747 23.52922 1.000 14.15436 O ? A ? 6 O 1
   ATOM 99 CB . ASP A 7 ? 1.36562 21.80635 24.72515 1.000 14.63607 C ? A ? 6 CB 1
   ATOM 100 CG . ASP A 7 ? 1.73133 20.33443 24.53596 1.000 16.94595 C ? A ? 6 CG 1
   ATOM 101 OD1 . ASP A 7 ? 1.63955 19.51725 25.49832 1.000 18.48035 O ? A ? 6 OD1 1
   ATOM 102 OD2 . ASP A 7 ? 2.13152 20.06422 23.36056 1.000 18.67821 O ? A ? 6 OD2 1
   ATOM 103 H . ASP A 7 ? 3.52450 21.84534 25.88392 1.000 17.49847 H ? A ? 6 H 1
   ATOM 104 HA . ASP A 7 ? 2.77166 22.59206 23.47978 1.000 17.61970 H ? A ? 6 HA 1
   ATOM 105 HB2 . ASP A 7 ? 1.09819 21.93553 25.64857 1.000 17.57593 H ? A ? 6 HB2 1
   ATOM 106 HB3 . ASP A 7 ? 0.62528 22.01279 24.13338 1.000 17.57593 H ? A ? 6 HB3 1
   ATOM 107 N . ALA A 8 ? 2.22537 24.72558 25.74158 1.000 13.41605 N ? A ? 7 N 1
   ATOM 108 CA . ALA A 8 ? 1.95844 26.15581 25.93535 1.000 13.89296 C ? A ? 7 CA 1
   ATOM 109 C . ALA A 8 ? 3.01080 26.99156 25.28337 1.000 13.44876 C ? A ? 7 C 1
   ATOM 110 O . ALA A 8 ? 2.69683 28.01061 24.63623 1.000 13.38453 O ? A ? 7 O 1
   ATOM 111 CB . ALA A 8 ? 1.91516 26.43395 27.42146 1.000 14.41803 C ? A ? 7 CB 1
   ATOM 112 H . ALA A 8 ? 2.44164 24.30357 26.45903 1.000 16.11191 H ? A ? 7 H 1
   ATOM 113 HA . ALA A 8 ? 1.10506 26.39035 25.53831 1.000 16.68420 H ? A ? 7 HA 1
   ATOM 114 HB1 . ALA A 8 ? 1.74939 27.37942 27.56110 1.000 17.31428 H ? A ? 7 HB1 1
   ATOM 115 HB2 . ALA A 8 ? 1.20222 25.91073 27.82003 1.000 17.31428 H ? A ? 7 HB2 1
   ATOM 116 HB3 . ALA A 8 ? 2.76675 26.18590 27.81410 1.000 17.31428 H ? A ? 7 HB3 1
   ATOM 117 N . VAL A 9 ? 4.27616 26.53174 25.31823 1.000 12.86116 N ? A ? 8 N 1
   ATOM 118 CA . VAL A 9 ? 5.34505 27.25574 24.63319 1.000 12.63410 C ? A ? 8 CA 1
   ATOM 119 C . VAL A 9 ? 5.07319 27.29230 23.13626 1.000 13.72656 C ? A ? 8 C 1
   ATOM 120 O . VAL A 9 ? 5.21154 28.31792 22.48150 1.000 13.88256 O ? A ? 8 O 1
   ATOM 121 CB . VAL A 9 ? 6.72250 26.65474 24.96952 1.000 14.09744 C ? A ? 8 CB 1
   ATOM 122 CG1 . VAL A 9 ? 7.82979 27.27757 24.08368 1.000 15.36709 C ? A ? 8 CG1 1
   ATOM 123 CG2 . VAL A 9 ? 7.04454 26.77931 26.41345 1.000 15.88904 C ? A ? 8 CG2 1
   ATOM 124 H . VAL A 9 ? 4.52962 25.81754 25.72478 1.000 15.44603 H ? A ? 8 H 1
   ATOM 125 HA . VAL A 9 ? 5.35496 28.17167 24.95237 1.000 15.17357 H ? A ? 8 HA 1
   ATOM 126 HB . VAL A 9 ? 6.68866 25.70520 24.77428 1.000 16.92957 H ? A ? 8 HB 1
   ATOM 127 HG11 . VAL A 9 ? 8.69682 27.02420 24.43718 1.000 18.45315 H ? A ? 8 HG11 1
   ATOM 128 HG12 . VAL A 9 ? 7.73256 26.94640 23.17716 1.000 18.45315 H ? A ? 8 HG12 1
   ATOM 129 HG13 . VAL A 9 ? 7.73733 28.24309 24.09482 1.000 18.45315 H ? A ? 8 HG13 1
   ATOM 130 HG21 . VAL A 9 ? 7.87092 26.30484 26.59478 1.000 19.07950 H ? A ? 8 HG21 1
   ATOM 131 HG22 . VAL A 9 ? 7.14692 27.71826 26.63432 1.000 19.07950 H ? A ? 8 HG22 1
   ATOM 132 HG23 . VAL A 9 ? 6.32129 26.39432 26.93268 1.000 19.07950 H ? A ? 8 HG23 1
   ATOM 133 N A LYS A 10 ? 4.75397 26.13429 22.57295 0.564 13.86964 N ? A ? 9 N 1
   ATOM 134 CA A LYS A 10 ? 4.50510 26.03011 21.13621 0.564 14.18258 C ? A ? 9 CA 1
   ATOM 135 C A LYS A 10 ? 3.36527 26.93188 20.68895 0.564 13.45004 C ? A ? 9 C 1
   ATOM 136 O A LYS A 10 ? 3.37941 27.54160 19.60232 0.564 12.37920 O ? A ? 9 O 1
   ATOM 137 CB A LYS A 10 ? 4.17948 24.57974 20.79825 0.564 15.38075 C ? A ? 9 CB 1
   ATOM 138 CG A LYS A 10 ? 4.02452 24.34379 19.33568 0.564 20.11264 C ? A ? 9 CG 1
   ATOM 139 CD A LYS A 10 ? 3.92811 22.80892 19.01598 0.564 26.91315 C ? A ? 9 CD 1
   ATOM 140 CE A LYS A 10 ? 3.40620 22.44585 17.59702 0.564 28.13373 C ? A ? 9 CE 1
   ATOM 141 NZ A LYS A 10 ? 3.79400 20.99184 17.31708 0.564 30.16587 N ? A ? 9 NZ 1
   ATOM 142 H A LYS A 10 ? 4.67386 25.39065 22.99742 0.564 16.65622 H ? A ? 9 H 1
   ATOM 143 HA A LYS A 10 ? 5.30278 26.30659 20.65854 0.564 17.03174 H ? A ? 9 HA 1
   ATOM 144 HB2 A LYS A 10 ? 4.89856 24.01288 21.11842 0.564 18.46954 H ? A ? 9 HB2 1
   ATOM 145 HB3 A LYS A 10 ? 3.34648 24.33513 21.23089 0.564 18.46954 H ? A ? 9 HB3 1
   ATOM 146 HG2 A LYS A 10 ? 3.21253 24.77318 19.02390 0.564 24.14781 H ? A ? 9 HG2 1
   ATOM 147 HG3 A LYS A 10 ? 4.79254 24.70656 18.86724 0.564 24.14781 H ? A ? 9 HG3 1
   ATOM 148 HD2 A LYS A 10 ? 4.81381 22.42310 19.10304 0.564 32.30842 H ? A ? 9 HD2 1
   ATOM 149 HD3 A LYS A 10 ? 3.32429 22.40138 19.65646 0.564 32.30842 H ? A ? 9 HD3 1
   ATOM 150 HE2 A LYS A 10 ? 2.44074 22.53291 17.56215 0.564 33.77312 H ? A ? 9 HE2 1
   ATOM 151 HE3 A LYS A 10 ? 3.81541 23.02094 16.93165 0.564 33.77312 H ? A ? 9 HE3 1
   ATOM 152 HZ1 A LYS A 10 ? 3.56969 20.77189 16.48438 0.564 36.21168 H ? A ? 9 HZ1 1
   ATOM 153 HZ2 A LYS A 10 ? 4.67204 20.88632 17.41714 0.564 36.21168 H ? A ? 9 HZ2 1
   ATOM 154 HZ3 A LYS A 10 ? 3.37165 20.44985 17.88273 0.564 36.21168 H ? A ? 9 HZ3 1
   ATOM 155 N B LYS A 10 ? 4.79539 26.14659 22.57188 0.436 13.84386 N ? A ? 9 N 1
   ATOM 156 CA B LYS A 10 ? 4.56777 26.14905 21.14353 0.436 14.39892 C ? A ? 9 CA 1
   ATOM 157 C B LYS A 10 ? 3.42826 27.07810 20.78363 0.436 13.43995 C ? A ? 9 C 1
   ATOM 158 O B LYS A 10 ? 3.53481 27.91126 19.88075 0.436 11.86654 O ? A ? 9 O 1
   ATOM 159 CB B LYS A 10 ? 4.33470 24.72840 20.66322 0.436 14.97922 C ? A ? 9 CB 1
   ATOM 160 CG B LYS A 10 ? 4.06523 24.62350 19.19544 0.436 20.98981 C ? A ? 9 CG 1
   ATOM 161 CD B LYS A 10 ? 4.37970 23.26626 18.54845 0.436 28.64423 C ? A ? 9 CD 1
   ATOM 162 CE B LYS A 10 ? 4.09566 23.34426 17.03040 0.436 35.64979 C ? A ? 9 CE 1
   ATOM 163 NZ B LYS A 10 ? 4.48881 24.63635 16.35919 0.436 29.24183 N ? A ? 9 NZ 1
   ATOM 164 H B LYS A 10 ? 4.73427 25.38631 22.96918 0.436 16.62528 H ? A ? 9 H 1
   ATOM 165 HA B LYS A 10 ? 5.35509 26.47795 20.68217 0.436 17.29134 H ? A ? 9 HA 1
   ATOM 166 HB2 B LYS A 10 ? 5.12479 24.20027 20.85749 0.436 17.98771 H ? A ? 9 HB2 1
   ATOM 167 HB3 B LYS A 10 ? 3.56795 24.36297 21.13168 0.436 17.98771 H ? A ? 9 HB3 1
   ATOM 168 HG2 B LYS A 10 ? 3.12315 24.79969 19.04599 0.436 25.20042 H ? A ? 9 HG2 1
   ATOM 169 HG3 B LYS A 10 ? 4.60366 25.28897 18.73921 0.436 25.20042 H ? A ? 9 HG3 1
   ATOM 170 HD2 B LYS A 10 ? 5.31501 23.04649 18.68187 0.436 34.38571 H ? A ? 9 HD2 1
   ATOM 171 HD3 B LYS A 10 ? 3.81831 22.57769 18.93783 0.436 34.38571 H ? A ? 9 HD3 1
   ATOM 172 HE2 B LYS A 10 ? 4.58547 22.63148 16.59115 0.436 42.79239 H ? A ? 9 HE2 1
   ATOM 173 HE3 B LYS A 10 ? 3.14289 23.22652 16.89165 0.436 42.79239 H ? A ? 9 HE3 1
   ATOM 174 HZ1 B LYS A 10 ? 4.41307 24.55594 15.47607 0.436 35.10284 H ? A ? 9 HZ1 1
   ATOM 175 HZ2 B LYS A 10 ? 3.95948 25.29629 16.63558 0.436 35.10284 H ? A ? 9 HZ2 1
   ATOM 176 HZ3 B LYS A 10 ? 5.33192 24.83918 16.55950 0.436 35.10284 H ? A ? 9 HZ3 1
   ATOM 177 N . TYR A 11 ? 2.30713 26.97323 21.51145 1.000 12.96692 N ? A ? 10 N 1
   ATOM 178 CA . TYR A 11 ? 1.15253 27.84230 21.23282 1.000 12.69880 C ? A ? 10 CA 1
   ATOM 179 C . TYR A 11 ? 1.53555 29.30674 21.25763 1.000 12.53235 C ? A ? 10 C 1
   ATOM 180 O . TYR A 11 ? 1.24008 30.05773 20.32491 1.000 13.06353 O ? A ? 10 O 1
   ATOM 181 CB . TYR A 11 ? 0.02884 27.54368 22.21878 1.000 12.52761 C ? A ? 10 CB 1
   ATOM 182 CG . TYR A 11 ? -1.20546 28.38708 22.00196 1.000 12.65168 C ? A ? 10 CG 1
   ATOM 183 CD1 . TYR A 11 ? -1.21508 29.67879 22.42899 1.000 12.46132 C ? A ? 10 CD1 1
   ATOM 184 CD2 . TYR A 11 ? -2.32792 27.89476 21.35689 1.000 13.12514 C ? A ? 10 CD2 1
   ATOM 185 CE1 . TYR A 11 ? -2.34396 30.49083 22.25981 1.000 12.45811 C ? A ? 10 CE1 1
   ATOM 186 CE2 . TYR A 11 ? -3.47330 28.69851 21.17519 1.000 12.19568 C ? A ? 10 CE2 1
   ATOM 187 CZ . TYR A 11 ? -3.46527 29.98032 21.63290 1.000 12.01561 C ? A ? 10 CZ 1
   ATOM 188 OH . TYR A 11 ? -4.55321 30.83070 21.48285 1.000 13.45860 O ? A ? 10 OH 1
   ATOM 189 HA . TYR A 11 ? 0.82479 27.64869 20.34063 1.000 15.25121 H ? A ? 10 HA 1
   ATOM 190 HB2 . TYR A 11 ? -0.22795 26.61277 22.12738 1.000 15.04578 H ? A ? 10 HB2 1
   ATOM 191 HB3 . TYR A 11 ? 0.34945 27.71259 23.11854 1.000 15.04578 H ? A ? 10 HB3 1
   ATOM 192 HD1 . TYR A 11 ? -0.45835 30.02909 22.84075 1.000 14.96623 H ? A ? 10 HD1 1
   ATOM 193 HD2 . TYR A 11 ? -2.32665 27.02092 21.03860 1.000 15.76281 H ? A ? 10 HD2 1
   ATOM 194 HE1 . TYR A 11 ? -2.33906 31.36843 22.56753 1.000 14.96237 H ? A ? 10 HE1 1
   ATOM 195 HE2 . TYR A 11 ? -4.22500 28.35641 20.74764 1.000 14.64746 H ? A ? 10 HE2 1
   ATOM 196 HH . TYR A 11 ? -4.42525 31.53983 21.91453 1.000 16.16296 H ? A ? 10 HH 1
   ATOM 197 H A TYR A 11 ? 2.23204 26.51150 22.23310 0.564 15.57295 H ? A ? 10 H 1
   ATOM 198 H B TYR A 11 ? 2.19045 26.41917 22.15876 0.436 15.57295 H ? A ? 10 H 1
   ATOM 199 N A ARG A 12 ? 2.18585 29.72232 22.33968 0.094 12.70770 N ? A ? 11 N 1
   ATOM 200 CA A ARG A 12 ? 2.46235 31.14550 22.44011 0.094 13.31083 C ? A ? 11 CA 1
   ATOM 201 C A ARG A 12 ? 3.43626 31.62401 21.36856 0.094 12.35210 C ? A ? 11 C 1
   ATOM 202 O A ARG A 12 ? 3.39975 32.82237 21.05212 0.094 11.59479 O ? A ? 11 O 1
   ATOM 203 CB A ARG A 12 ? 2.92725 31.54773 23.84460 0.094 13.24217 C ? A ? 11 CB 1
   ATOM 204 CG A ARG A 12 ? 4.20448 30.91374 24.30400 0.094 12.42575 C ? A ? 11 CG 1
   ATOM 205 CD A ARG A 12 ? 4.26000 30.90771 25.83881 0.094 13.32116 C ? A ? 11 CD 1
   ATOM 206 NE A ARG A 12 ? 5.56896 30.51286 26.35338 0.094 13.21784 N ? A ? 11 NE 1
   ATOM 207 CZ A ARG A 12 ? 5.83642 30.23430 27.62478 0.094 13.09955 C ? A ? 11 CZ 1
   ATOM 208 NH1 A ARG A 12 ? 4.90373 30.25998 28.55594 0.094 14.35279 N ? A ? 11 NH1 1
   ATOM 209 NH2 A ARG A 12 ? 7.08312 29.93070 27.97088 0.094 14.01872 N ? A ? 11 NH2 1
   ATOM 210 H A ARG A 12 ? 2.46005 29.22926 22.98876 0.094 15.26188 H ? A ? 11 H 1
   ATOM 211 HA A ARG A 12 ? 1.62687 31.61955 22.30540 0.094 15.98564 H ? A ? 11 HA 1
   ATOM 212 HB2 A ARG A 12 ? 3.05970 32.50854 23.85910 0.094 15.90325 H ? A ? 11 HB2 1
   ATOM 213 HB3 A ARG A 12 ? 2.23636 31.29847 24.47819 0.094 15.90325 H ? A ? 11 HB3 1
   ATOM 214 HG2 A ARG A 12 ? 4.24852 29.99817 23.98667 0.094 14.92355 H ? A ? 11 HG2 1
   ATOM 215 HG3 A ARG A 12 ? 4.96085 31.41859 23.96648 0.094 14.92355 H ? A ? 11 HG3 1
   ATOM 216 HD2 A ARG A 12 ? 4.06550 31.79984 26.16617 0.094 15.99804 H ? A ? 11 HD2 1
   ATOM 217 HD3 A ARG A 12 ? 3.60269 30.27961 26.17693 0.094 15.99804 H ? A ? 11 HD3 1
   ATOM 218 HE A ARG A 12 ? 6.21631 30.45635 25.79004 0.094 15.87406 H ? A ? 11 HE 1
   ATOM 219 HH11 A ARG A 12 ? 4.09393 30.46145 28.34799 0.094 17.23599 H ? A ? 11 HH11 1
   ATOM 220 HH12 A ARG A 12 ? 5.10503 30.07526 29.37139 0.094 17.23599 H ? A ? 11 HH12 1
   ATOM 221 HH21 A ARG A 12 ? 7.70338 29.91653 27.37533 0.094 16.83511 H ? A ? 11 HH21 1
   ATOM 222 HH22 A ARG A 12 ? 7.26961 29.74842 28.79038 0.094 16.83511 H ? A ? 11 HH22 1
   ATOM 223 N B ARG A 12 ? 2.17983 29.73399 22.32476 0.906 12.63846 N ? A ? 11 N 1
   ATOM 224 CA B ARG A 12 ? 2.44273 31.17114 22.41221 0.906 13.33953 C ? A ? 11 CA 1
   ATOM 225 C B ARG A 12 ? 3.40097 31.60215 21.32398 0.906 12.24756 C ? A ? 11 C 1
   ATOM 226 O B ARG A 12 ? 3.27931 32.72658 20.80514 0.906 12.69990 O ? A ? 11 O 1
   ATOM 227 CB B ARG A 12 ? 2.93055 31.64169 23.83267 0.906 13.29031 C ? A ? 11 CB 1
   ATOM 228 CG B ARG A 12 ? 4.28456 31.14695 24.32508 0.906 12.57484 C ? A ? 11 CG 1
   ATOM 229 CD B ARG A 12 ? 4.26728 31.02428 25.80834 0.906 13.19732 C ? A ? 11 CD 1
   ATOM 230 NE B ARG A 12 ? 5.61372 30.71562 26.31594 0.906 13.23523 N ? A ? 11 NE 1
   ATOM 231 CZ B ARG A 12 ? 5.82438 30.18510 27.51227 0.906 13.30645 C ? A ? 11 CZ 1
   ATOM 232 NH1 B ARG A 12 ? 4.83835 29.76136 28.27008 0.906 13.30883 N ? A ? 11 NH1 1
   ATOM 233 NH2 B ARG A 12 ? 7.08859 30.04255 27.93278 0.906 14.16312 N ? A ? 11 NH2 1
   ATOM 234 H B ARG A 12 ? 2.46200 29.24980 22.97710 0.906 15.17880 H ? A ? 11 H 1
   ATOM 235 HA B ARG A 12 ? 1.59375 31.62386 22.28898 0.906 16.02007 H ? A ? 11 HA 1
   ATOM 236 HB2 B ARG A 12 ? 2.97572 32.61059 23.82308 0.906 15.96102 H ? A ? 11 HB2 1
   ATOM 237 HB3 B ARG A 12 ? 2.27395 31.34659 24.48281 0.906 15.96102 H ? A ? 11 HB3 1
   ATOM 238 HG2 B ARG A 12 ? 4.47444 30.27619 23.94217 0.906 15.10245 H ? A ? 11 HG2 1
   ATOM 239 HG3 B ARG A 12 ? 4.97605 31.77848 24.07226 0.906 15.10245 H ? A ? 11 HG3 1
   ATOM 240 HD2 B ARG A 12 ? 3.97353 31.86159 26.20015 0.906 15.84942 H ? A ? 11 HD2 1
   ATOM 241 HD3 B ARG A 12 ? 3.66714 30.30786 26.06809 0.906 15.84942 H ? A ? 11 HD3 1
   ATOM 242 HE B ARG A 12 ? 6.29201 30.88654 25.81563 0.906 15.89491 H ? A ? 11 HE 1
   ATOM 243 HH11 B ARG A 12 ? 4.02629 29.82401 27.99397 0.906 15.98324 H ? A ? 11 HH11 1
   ATOM 244 HH12 B ARG A 12 ? 5.00497 29.42135 29.04224 0.906 15.98324 H ? A ? 11 HH12 1
   ATOM 245 HH21 B ARG A 12 ? 7.73982 30.29284 27.42994 0.906 17.00839 H ? A ? 11 HH21 1
   ATOM 246 HH22 B ARG A 12 ? 7.24876 29.70076 28.70552 0.906 17.00839 H ? A ? 11 HH22 1
   ATOM 247 N A GLN A 13 ? 4.27395 30.71179 20.79882 0.094 13.05424 N ? A ? 12 N 1
   ATOM 248 CA A GLN A 13 ? 5.25545 31.05076 19.75129 0.094 12.83321 C ? A ? 12 CA 1
   ATOM 249 C A GLN A 13 ? 4.61514 31.10585 18.35153 0.094 10.64666 C ? A ? 12 C 1
   ATOM 250 O A GLN A 13 ? 4.97152 31.95747 17.52120 0.094 11.45979 O ? A ? 12 O 1
   ATOM 251 CB A GLN A 13 ? 6.43469 30.06345 19.77320 0.094 13.36545 C ? A ? 12 CB 1
   ATOM 252 CG A GLN A 13 ? 7.34670 30.16845 20.99919 0.094 13.68140 C ? A ? 12 CG 1
   ATOM 253 CD A GLN A 13 ? 8.62916 29.34065 20.86739 0.094 13.77493 C ? A ? 12 CD 1
   ATOM 254 OE1 A GLN A 13 ? 8.82828 28.64988 19.87706 0.094 11.17445 O ? A ? 12 OE1 1
   ATOM 255 NE2 A GLN A 13 ? 9.48160 29.40133 21.88601 0.094 14.52141 N ? A ? 12 NE2 1
   ATOM 256 H A GLN A 13 ? 4.28741 29.87840 21.01067 0.094 15.67773 H ? A ? 12 H 1
   ATOM 257 HA A GLN A 13 ? 5.60951 31.93279 19.94511 0.094 15.41249 H ? A ? 12 HA 1
   ATOM 258 HB2 A GLN A 13 ? 6.07953 29.16106 19.75181 0.094 16.05119 H ? A ? 12 HB2 1
   ATOM 259 HB3 A GLN A 13 ? 6.98277 30.22294 18.98894 0.094 16.05119 H ? A ? 12 HB3 1
   ATOM 260 HG2 A GLN A 13 ? 7.60169 31.09607 21.12324 0.094 16.43032 H ? A ? 12 HG2 1
   ATOM 261 HG3 A GLN A 13 ? 6.86461 29.84987 21.77829 0.094 16.43032 H ? A ? 12 HG3 1
   ATOM 262 HE21 A GLN A 13 ? 9.29869 29.88752 22.57141 0.094 17.43833 H ? A ? 12 HE21 1
   ATOM 263 HE22 A GLN A 13 ? 10.21585 28.95438 21.85946 0.094 17.43833 H ? A ? 12 HE22 1
   ATOM 264 N B GLN A 13 ? 4.44789 30.81033 21.09999 0.906 12.63522 N ? A ? 12 N 1
   ATOM 265 CA B GLN A 13 ? 5.36028 31.13657 20.00095 0.906 12.99630 C ? A ? 12 CA 1
   ATOM 266 C B GLN A 13 ? 4.63019 31.27346 18.65497 0.906 11.89656 C ? A ? 12 C 1
   ATOM 267 O B GLN A 13 ? 4.94601 32.22139 17.89490 0.906 12.61061 O ? A ? 12 O 1
   ATOM 268 CB B GLN A 13 ? 6.50221 30.13889 19.94358 0.906 13.13769 C ? A ? 12 CB 1
   ATOM 269 CG B GLN A 13 ? 7.37924 30.23373 21.15069 0.906 13.87451 C ? A ? 12 CG 1
   ATOM 270 CD B GLN A 13 ? 8.52748 29.21027 21.16925 0.906 13.19486 C ? A ? 12 CD 1
   ATOM 271 OE1 B GLN A 13 ? 8.50599 28.27297 20.40388 0.906 15.36242 O ? A ? 12 OE1 1
   ATOM 272 NE2 B GLN A 13 ? 9.56356 29.49351 21.96188 0.906 14.47038 N ? A ? 12 NE2 1
   ATOM 273 H B GLN A 13 ? 4.64712 30.10530 21.55037 0.906 15.17491 H ? A ? 12 H 1
   ATOM 274 HA B GLN A 13 ? 5.75635 32.00392 20.17906 0.906 15.60821 H ? A ? 12 HA 1
   ATOM 275 HB2 B GLN A 13 ? 6.13985 29.24019 19.89972 0.906 15.77787 H ? A ? 12 HB2 1
   ATOM 276 HB3 B GLN A 13 ? 7.04345 30.31705 19.15859 0.906 15.77787 H ? A ? 12 HB3 1
   ATOM 277 HG2 B GLN A 13 ? 7.77318 31.11962 21.18085 0.906 16.66206 H ? A ? 12 HG2 1
   ATOM 278 HG3 B GLN A 13 ? 6.83801 30.08422 21.94165 0.906 16.66206 H ? A ? 12 HG3 1
   ATOM 279 HE21 B GLN A 13 ? 9.56392 30.21679 22.42714 0.906 17.37710 H ? A ? 12 HE21 1
   ATOM 280 HE22 B GLN A 13 ? 10.23070 28.95270 22.00727 0.906 17.37710 H ? A ? 12 HE22 1
   ATOM 281 N A SER A 14 ? 3.66696 30.21844 18.06299 0.094 12.41286 N ? A ? 13 N 1
   ATOM 282 CA A SER A 14 ? 2.92329 30.36916 16.82071 0.094 13.06987 C ? A ? 13 CA 1
   ATOM 283 C A SER A 14 ? 2.08562 31.63484 16.83410 0.094 12.65157 C ? A ? 13 C 1
   ATOM 284 O A SER A 14 ? 1.96249 32.31809 15.81249 0.094 12.69870 O ? A ? 13 O 1
   ATOM 285 CB A SER A 14 ? 2.05605 29.15623 16.56851 0.094 12.63697 C ? A ? 13 CB 1
   ATOM 286 OG A SER A 14 ? 2.88629 28.23329 15.94232 0.094 7.60623 O ? A ? 13 OG 1
   ATOM 287 H A SER A 14 ? 3.44416 29.54648 18.55127 0.094 14.90807 H ? A ? 13 H 1
   ATOM 288 HA A SER A 14 ? 3.55623 30.43272 16.08841 0.094 15.69649 H ? A ? 13 HA 1
   ATOM 289 HB2 A SER A 14 ? 1.72529 28.79788 17.40701 0.094 15.17701 H ? A ? 13 HB2 1
   ATOM 290 HB3 A SER A 14 ? 1.31240 29.38767 15.99030 0.094 15.17701 H ? A ? 13 HB3 1
   ATOM 291 HG A SER A 14 ? 2.49950 27.48966 15.88761 0.094 9.14012 H ? A ? 13 HG 1
   ATOM 292 N B SER A 14 ? 3.71108 30.38594 18.37974 0.906 13.51465 N ? A ? 13 N 1
   ATOM 293 CA B SER A 14 ? 2.92736 30.49318 17.16943 0.906 12.98649 C ? A ? 13 CA 1
   ATOM 294 C B SER A 14 ? 2.05860 31.74335 17.15785 0.906 13.04498 C ? A ? 13 C 1
   ATOM 295 O B SER A 14 ? 1.93696 32.40949 16.13236 0.906 13.07295 O ? A ? 13 O 1
   ATOM 296 CB B SER A 14 ? 2.05990 29.25463 16.99450 0.906 13.20628 C ? A ? 13 CB 1
   ATOM 297 OG B SER A 14 ? 2.86146 28.12403 16.83623 0.906 17.64778 O ? A ? 13 OG 1
   ATOM 298 H B SER A 14 ? 3.51644 29.70918 18.87341 0.906 16.23022 H ? A ? 13 H 1
   ATOM 299 HA B SER A 14 ? 3.54129 30.55098 16.42067 0.906 15.59643 H ? A ? 13 HA 1
   ATOM 300 HB2 B SER A 14 ? 1.50283 29.14246 17.78063 0.906 15.86017 H ? A ? 13 HB2 1
   ATOM 301 HB3 B SER A 14 ? 1.50423 29.36374 16.20695 0.906 15.86017 H ? A ? 13 HB3 1
   ATOM 302 HG B SER A 14 ? 3.30402 27.98529 17.53658 0.906 21.18998 H ? A ? 13 HG 1
   ATOM 303 N A ALA A 15 ? 1.48293 31.95057 17.98040 0.094 12.56787 N ? A ? 14 N 1
   ATOM 304 CA A ALA A 15 ? 0.59658 33.10809 18.07184 0.094 13.39897 C ? A ? 14 CA 1
   ATOM 305 C A ALA A 15 ? 1.37088 34.41690 17.94174 0.094 13.44671 C ? A ? 14 C 1
   ATOM 306 O A ALA A 15 ? 0.96404 35.31586 17.18740 0.094 13.46603 O ? A ? 14 O 1
   ATOM 307 CB A ALA A 15 ? -0.18410 33.02981 19.38997 0.094 13.32641 C ? A ? 14 CB 1
   ATOM 308 H A ALA A 15 ? 1.56998 31.51325 18.71577 0.094 15.09409 H ? A ? 14 H 1
   ATOM 309 HA A ALA A 15 ? -0.04176 33.09338 17.34163 0.094 16.09141 H ? A ? 14 HA 1
   ATOM 310 HB1 A ALA A 15 ? -0.77728 33.79482 19.45159 0.094 16.00433 H ? A ? 14 HB1 1
   ATOM 311 HB2 A ALA A 15 ? -0.70062 32.20887 19.40282 0.094 16.00433 H ? A ? 14 HB2 1
   ATOM 312 HB3 A ALA A 15 ? 0.44343 33.03740 20.12960 0.094 16.00433 H ? A ? 14 HB3 1
   ATOM 313 N B ALA A 15 ? 1.39746 32.04815 18.28259 0.906 13.06912 N ? A ? 14 N 1
   ATOM 314 CA B ALA A 15 ? 0.55149 33.23084 18.33201 0.906 13.43060 C ? A ? 14 CA 1
   ATOM 315 C B ALA A 15 ? 1.33450 34.47863 18.11177 0.906 13.57064 C ? A ? 14 C 1
   ATOM 316 O B ALA A 15 ? 0.90414 35.37957 17.38391 0.906 13.53081 O ? A ? 14 O 1
   ATOM 317 CB B ALA A 15 ? -0.16656 33.30322 19.68015 0.906 14.35770 C ? A ? 14 CB 1
   ATOM 318 H B ALA A 15 ? 1.42519 31.59268 19.01154 0.906 15.69558 H ? A ? 14 H 1
   ATOM 319 HA B ALA A 15 ? -0.11086 33.15971 17.62694 0.906 16.12936 H ? A ? 14 HA 1
   ATOM 320 HB1 B ALA A 15 ? -0.70171 34.11169 19.70992 0.906 17.24188 H ? A ? 14 HB1 1
   ATOM 321 HB2 B ALA A 15 ? -0.73747 32.52491 19.77606 0.906 17.24188 H ? A ? 14 HB2 1
   ATOM 322 HB3 B ALA A 15 ? 0.49464 33.31790 20.38974 0.906 17.24188 H ? A ? 14 HB3 1
   ATOM 323 N A LEU A 16 ? 2.50198 34.53459 18.65912 0.094 13.03271 N ? A ? 15 N 1
   ATOM 324 CA A LEU A 16 ? 3.34745 35.72377 18.57281 0.094 13.26125 C ? A ? 15 CA 1
   ATOM 325 C A LEU A 16 ? 3.99339 35.85281 17.19900 0.094 13.26306 C ? A ? 15 C 1
   ATOM 326 O A LEU A 16 ? 4.26915 36.97631 16.74748 0.094 13.19617 O ? A ? 15 O 1
   ATOM 327 CB A LEU A 16 ? 4.40362 35.70471 19.68872 0.094 13.08411 C ? A ? 15 CB 1
   ATOM 328 CG A LEU A 16 ? 3.88247 35.93672 21.11078 0.094 13.34124 C ? A ? 15 CG 1
   ATOM 329 CD1 A LEU A 16 ? 4.92099 35.53774 22.16549 0.094 12.63670 C ? A ? 15 CD1 1
   ATOM 330 CD2 A LEU A 16 ? 3.51268 37.38835 21.30365 0.094 13.97706 C ? A ? 15 CD2 1
   ATOM 331 H A LEU A 16 ? 2.79776 33.93682 19.20206 0.094 15.65189 H ? A ? 15 H 1
   ATOM 332 HA A LEU A 16 ? 2.80054 36.51305 18.71001 0.094 15.92614 H ? A ? 15 HA 1
   ATOM 333 HB2 A LEU A 16 ? 4.83737 34.83714 19.67978 0.094 15.71358 H ? A ? 15 HB2 1
   ATOM 334 HB3 A LEU A 16 ? 5.05214 36.40178 19.50322 0.094 15.71358 H ? A ? 15 HB3 1
   ATOM 335 HG A LEU A 16 ? 3.09645 35.38189 21.23419 0.094 16.02213 H ? A ? 15 HG 1
   ATOM 336 HD11 A LEU A 16 ? 4.90617 36.18802 22.88508 0.094 15.17669 H ? A ? 15 HD11 1
   ATOM 337 HD12 A LEU A 16 ? 4.69966 34.65831 22.50976 0.094 15.17669 H ? A ? 15 HD12 1
   ATOM 338 HD13 A LEU A 16 ? 5.79895 35.52032 21.75343 0.094 15.17669 H ? A ? 15 HD13 1
   ATOM 339 HD21 A LEU A 16 ? 3.24167 37.52549 22.22487 0.094 16.78512 H ? A ? 15 HD21 1
   ATOM 340 HD22 A LEU A 16 ? 4.28381 37.94042 21.10003 0.094 16.78512 H ? A ? 15 HD22 1
   ATOM 341 HD23 A LEU A 16 ? 2.78059 37.60970 20.70704 0.094 16.78512 H ? A ? 15 HD23 1
   ATOM 342 N B LEU A 16 ? 2.51666 34.55699 18.73236 0.906 12.94029 N ? A ? 15 N 1
   ATOM 343 CA B LEU A 16 ? 3.37759 35.70271 18.61721 0.906 13.32008 C ? A ? 15 CA 1
   ATOM 344 C B LEU A 16 ? 3.92481 35.83629 17.18567 0.906 13.10112 C ? A ? 15 C 1
   ATOM 345 O B LEU A 16 ? 4.04188 36.94214 16.65463 0.906 13.92611 O ? A ? 15 O 1
   ATOM 346 CB B LEU A 16 ? 4.46400 35.64706 19.69691 0.906 12.87620 C ? A ? 15 CB 1
   ATOM 347 CG B LEU A 16 ? 3.86022 35.86304 21.08317 0.906 13.18907 C ? A ? 15 CG 1
   ATOM 348 CD1 B LEU A 16 ? 4.85300 35.26745 22.13674 0.906 13.00168 C ? A ? 15 CD1 1
   ATOM 349 CD2 B LEU A 16 ? 3.62909 37.32793 21.36122 0.906 14.18991 C ? A ? 15 CD2 1
   ATOM 350 H B LEU A 16 ? 2.83918 33.93827 19.23512 0.906 15.54099 H ? A ? 15 H 1
   ATOM 351 HA B LEU A 16 ? 2.88194 36.51893 18.78752 0.906 15.99674 H ? A ? 15 HA 1
   ATOM 352 HB2 B LEU A 16 ? 4.89331 34.77743 19.67838 0.906 15.46409 H ? A ? 15 HB2 1
   ATOM 353 HB3 B LEU A 16 ? 5.11857 36.34376 19.53245 0.906 15.46409 H ? A ? 15 HB3 1
   ATOM 354 HG B LEU A 16 ? 2.99711 35.42426 21.14152 0.906 15.83952 H ? A ? 15 HG 1
   ATOM 355 HD11 B LEU A 16 ? 4.62854 35.61517 23.01401 0.906 15.61465 H ? A ? 15 HD11 1
   ATOM 356 HD12 B LEU A 16 ? 4.77391 34.30069 22.13396 0.906 15.61465 H ? A ? 15 HD12 1
   ATOM 357 HD13 B LEU A 16 ? 5.75740 35.52603 21.89990 0.906 15.61465 H ? A ? 15 HD13 1
   ATOM 358 HD21 B LEU A 16 ? 3.23516 37.42380 22.24243 0.906 17.04053 H ? A ? 15 HD21 1
   ATOM 359 HD22 B LEU A 16 ? 4.47911 37.79394 21.32641 0.906 17.04053 H ? A ? 15 HD22 1
   ATOM 360 HD23 B LEU A 16 ? 3.02788 37.68587 20.68942 0.906 17.04053 H ? A ? 15 HD23 1
   ATOM 361 N . THR A 17 ? 4.28136 34.71637 16.54287 1.000 13.10709 N ? A ? 16 N 1
   ATOM 362 CA . THR A 17 ? 4.66006 34.72092 15.16198 1.000 13.25168 C ? A ? 16 CA 1
   ATOM 363 C . THR A 17 ? 3.56715 35.32609 14.30332 1.000 13.32824 C ? A ? 16 C 1
   ATOM 364 O . THR A 17 ? 3.84787 36.14176 13.39179 1.000 14.48973 O ? A ? 16 O 1
   ATOM 365 CB . THR A 17 ? 4.97478 33.29038 14.70033 1.000 13.48267 C ? A ? 16 CB 1
   ATOM 366 OG1 . THR A 17 ? 6.18848 32.83165 15.34220 1.000 15.69672 O ? A ? 16 OG1 1
   ATOM 367 CG2 . THR A 17 ? 5.20702 33.20926 13.20788 1.000 15.97087 C ? A ? 16 CG2 1
   ATOM 368 HA . THR A 17 ? 5.46184 35.25685 15.05799 1.000 15.91466 H ? A ? 16 HA 1
   ATOM 369 HB . THR A 17 ? 4.21480 32.73312 14.93007 1.000 16.19185 H ? A ? 16 HB 1
   ATOM 370 HG1 . THR A 17 ? 6.81235 33.37567 15.19926 1.000 18.84870 H ? A ? 16 HG1 1
   ATOM 371 HG21 . THR A 17 ? 5.65623 32.37848 12.98671 1.000 19.17768 H ? A ? 16 HG21 1
   ATOM 372 HG22 . THR A 17 ? 4.35919 33.24351 12.73786 1.000 19.17768 H ? A ? 16 HG22 1
   ATOM 373 HG23 . THR A 17 ? 5.75843 33.95240 12.91706 1.000 19.17768 H ? A ? 16 HG23 1
   ATOM 374 H A THR A 17 ? 4.25901 33.93220 16.89525 0.094 15.74115 H ? A ? 16 H 1
   ATOM 375 H B THR A 17 ? 4.30702 33.93686 16.90522 0.906 15.74115 H ? A ? 16 H 1
   ATOM 376 N . LEU A 18 ? 2.34273 34.90314 14.48559 1.000 13.88098 N ? A ? 17 N 1
   ATOM 377 CA . LEU A 18 ? 1.25810 35.44520 13.65160 1.000 14.30100 C ? A ? 17 CA 1
   ATOM 378 C . LEU A 18 ? 0.99461 36.91130 13.93851 1.000 16.70181 C ? A ? 17 C 1
   ATOM 379 O . LEU A 18 ? 0.76893 37.70068 12.98541 1.000 15.56407 O ? A ? 17 O 1
   ATOM 380 CB . LEU A 18 ? 0.00747 34.68021 13.88650 1.000 15.81281 C ? A ? 17 CB 1
   ATOM 381 CG . LEU A 18 ? 0.05382 33.28404 13.45585 1.000 19.55754 C ? A ? 17 CG 1
   ATOM 382 CD1 . LEU A 18 ? -1.34380 32.69732 13.78697 1.000 26.46040 C ? A ? 17 CD1 1
   ATOM 383 CD2 . LEU A 18 ? 0.29918 32.96927 11.91522 1.000 17.60126 C ? A ? 17 CD2 1
   ATOM 384 H . LEU A 18 ? 2.10016 34.31743 15.06672 1.000 16.66982 H ? A ? 17 H 1
   ATOM 385 HA . LEU A 18 ? 1.52528 35.35342 12.72365 1.000 17.17385 H ? A ? 17 HA 1
   ATOM 386 HB2 . LEU A 18 ? -0.18269 34.68679 14.83765 1.000 18.98801 H ? A ? 17 HB2 1
   ATOM 387 HB3 . LEU A 18 ? -0.71274 35.11227 13.40119 1.000 18.98801 H ? A ? 17 HB3 1
   ATOM 388 HG . LEU A 18 ? 0.82214 32.90033 13.90681 1.000 23.48169 H ? A ? 17 HG 1
   ATOM 389 HD11 . LEU A 18 ? -1.32764 31.73911 13.63703 1.000 31.76512 H ? A ? 17 HD11 1
   ATOM 390 HD12 . LEU A 18 ? -1.55239 32.88330 14.71584 1.000 31.76512 H ? A ? 17 HD12 1
   ATOM 391 HD13 . LEU A 18 ? -2.00479 33.11127 13.21023 1.000 31.76512 H ? A ? 17 HD13 1
   ATOM 392 HD21 . LEU A 18 ? 0.29902 32.00800 11.78537 1.000 21.13416 H ? A ? 17 HD21 1
   ATOM 393 HD22 . LEU A 18 ? -0.41135 33.37369 11.39321 1.000 21.13416 H ? A ? 17 HD22 1
   ATOM 394 HD23 . LEU A 18 ? 1.15593 33.33873 11.64995 1.000 21.13416 H ? A ? 17 HD23 1
   ATOM 395 N A MET A 19 ? 1.20242 37.40238 15.13744 0.497 16.03526 N ? A ? 18 N 1
   ATOM 396 CA A MET A 19 ? 1.00664 38.83096 15.48220 0.497 20.02238 C ? A ? 18 CA 1
   ATOM 397 C A MET A 19 ? 2.18017 39.65724 14.93196 0.497 19.42661 C ? A ? 18 C 1
   ATOM 398 O A MET A 19 ? 2.08125 40.78639 14.35844 0.497 15.71929 O ? A ? 18 O 1
   ATOM 399 CB A MET A 19 ? 0.68830 38.61611 17.01961 0.497 19.07699 C ? A ? 18 CB 1
   ATOM 400 CG A MET A 19 ? 0.11499 39.77161 17.73543 0.497 14.76259 C ? A ? 18 CG 1
   ATOM 401 SD A MET A 19 ? 0.55248 39.78204 19.52397 0.497 15.11269 S ? A ? 18 SD 1
   ATOM 402 CE A MET A 19 ? 2.25003 40.17739 19.62701 0.497 17.75918 C ? A ? 18 CE 1
   ATOM 403 H A MET A 19 ? 1.46636 36.93188 15.80719 0.497 19.25496 H ? A ? 18 H 1
   ATOM 404 HA A MET A 19 ? 0.29911 39.39043 15.12540 0.497 24.03950 H ? A ? 18 HA 1
   ATOM 405 HB2 A MET A 19 ? 0.05214 37.88800 17.09741 0.497 22.90504 H ? A ? 18 HB2 1
   ATOM 406 HB3 A MET A 19 ? 1.51549 38.38345 17.46965 0.497 22.90504 H ? A ? 18 HB3 1
   ATOM 407 HG2 A MET A 19 ? 0.45262 40.58967 17.33833 0.497 17.72775 H ? A ? 18 HG2 1
   ATOM 408 HG3 A MET A 19 ? -0.85179 39.74176 17.66234 0.497 17.72775 H ? A ? 18 HG3 1
   ATOM 409 HE1 A MET A 19 ? 2.44943 40.48152 20.52626 0.497 21.32366 H ? A ? 18 HE1 1
   ATOM 410 HE2 A MET A 19 ? 2.77167 39.38563 19.42232 0.497 21.32366 H ? A ? 18 HE2 1
   ATOM 411 HE3 A MET A 19 ? 2.45008 40.87954 18.98838 0.497 21.32366 H ? A ? 18 HE3 1
   ATOM 412 N B MET A 19 ? 1.03049 37.29387 15.23511 0.503 16.93918 N ? A ? 18 N 1
   ATOM 413 CA B MET A 19 ? 1.02570 38.72755 15.58637 0.503 20.08317 C ? A ? 18 CA 1
   ATOM 414 C B MET A 19 ? 1.95953 39.45408 14.75163 0.503 19.38933 C ? A ? 18 C 1
   ATOM 415 O B MET A 19 ? 1.54369 40.49674 14.20898 0.503 21.73736 O ? A ? 18 O 1
   ATOM 416 CB B MET A 19 ? 1.44544 39.10481 17.00291 0.503 12.24244 C ? A ? 18 CB 1
   ATOM 417 CG B MET A 19 ? 0.30643 38.59937 17.71795 0.503 13.95805 C ? A ? 18 CG 1
   ATOM 418 SD B MET A 19 ? 0.49851 38.63914 19.58692 0.503 13.53764 S ? A ? 18 SD 1
   ATOM 419 CE B MET A 19 ? 1.31370 40.21452 19.90091 0.503 14.68697 C ? A ? 18 CE 1
   ATOM 420 H B MET A 19 ? 1.05710 36.75769 15.90698 0.503 20.33966 H ? A ? 18 H 1
   ATOM 421 HA B MET A 19 ? 0.08622 38.94865 15.48947 0.503 24.11244 H ? A ? 18 HA 1
   ATOM 422 HB2 B MET A 19 ? 2.26267 38.65829 17.27430 0.503 14.70357 H ? A ? 18 HB2 1
   ATOM 423 HB3 B MET A 19 ? 1.53862 40.06386 17.11450 0.503 14.70357 H ? A ? 18 HB3 1
   ATOM 424 HG2 B MET A 19 ? -0.46807 39.13693 17.48976 0.503 16.76231 H ? A ? 18 HG2 1
   ATOM 425 HG3 B MET A 19 ? 0.15882 37.67703 17.45640 0.503 16.76231 H ? A ? 18 HG3 1
   ATOM 426 HE1 B MET A 19 ? 1.36427 40.35852 20.85883 0.503 17.63701 H ? A ? 18 HE1 1
   ATOM 427 HE2 B MET A 19 ? 2.20655 40.18900 19.52266 0.503 17.63701 H ? A ? 18 HE2 1
   ATOM 428 HE3 B MET A 19 ? 0.79902 40.92457 19.48639 0.503 17.63701 H ? A ? 18 HE3 1
   ATOM 429 N . ALA A 20 ? 3.26940 39.09458 14.89354 1.000 20.32207 N ? A ? 19 N 1
   ATOM 430 CA . ALA A 20 ? 4.32732 39.78450 14.27356 1.000 21.32135 C ? A ? 19 CA 1
   ATOM 431 C . ALA A 20 ? 4.09864 39.95913 12.78815 1.000 18.49598 C ? A ? 19 C 1
   ATOM 432 O . ALA A 20 ? 4.44261 41.02914 12.24397 1.000 17.56464 O ? A ? 19 O 1
   ATOM 433 CB . ALA A 20 ? 5.62329 39.10182 14.63191 1.000 20.14963 C ? A ? 19 CB 1
   ATOM 434 HA . ALA A 20 ? 4.39532 40.69180 14.60984 1.000 25.59827 H ? A ? 19 HA 1
   ATOM 435 HB1 . ALA A 20 ? 6.35891 39.58945 14.22944 1.000 24.19220 H ? A ? 19 HB1 1
   ATOM 436 HB2 . ALA A 20 ? 5.72002 39.09450 15.59705 1.000 24.19220 H ? A ? 19 HB2 1
   ATOM 437 HB3 . ALA A 20 ? 5.60514 38.19262 14.29439 1.000 24.19220 H ? A ? 19 HB3 1
   ATOM 438 H A ALA A 20 ? 3.45101 38.31579 15.20993 0.497 24.39913 H ? A ? 19 H 1
   ATOM 439 H B ALA A 20 ? 3.53518 38.42786 15.36730 0.503 24.39913 H ? A ? 19 H 1
   ATOM 440 N A SER A 21 ? 3.58516 38.93781 12.10424 0.839 15.63806 N ? A ? 20 N 1
   ATOM 441 CA A SER A 21 ? 3.33318 39.10013 10.67195 0.839 15.40689 C ? A ? 20 CA 1
   ATOM 442 C A SER A 21 ? 2.22337 40.10633 10.41294 0.839 14.16242 C ? A ? 20 C 1
   ATOM 443 O A SER A 21 ? 2.31896 40.88387 9.44179 0.839 14.20399 O ? A ? 20 O 1
   ATOM 444 CB A SER A 21 ? 2.95714 37.73829 10.07524 0.839 14.44268 C ? A ? 20 CB 1
   ATOM 445 OG A SER A 21 ? 2.67405 37.85393 8.71468 0.839 14.17920 O ? A ? 20 OG 1
   ATOM 446 H A SER A 21 ? 3.38101 38.16919 12.43156 0.839 18.77832 H ? A ? 20 H 1
   ATOM 447 HA A SER A 21 ? 4.13849 39.42713 10.24131 0.839 18.50091 H ? A ? 20 HA 1
   ATOM 448 HB2 A SER A 21 ? 3.70046 37.12618 10.19220 0.839 17.34386 H ? A ? 20 HB2 1
   ATOM 449 HB3 A SER A 21 ? 2.17245 37.39866 10.53329 0.839 17.34386 H ? A ? 20 HB3 1
   ATOM 450 HG A SER A 21 ? 2.50566 37.09733 8.39095 0.839 17.02768 H ? A ? 20 HG 1
   ATOM 451 N B SER A 21 ? 3.46879 38.97120 12.13585 0.161 15.99995 N ? A ? 20 N 1
   ATOM 452 CA B SER A 21 ? 3.21381 39.09896 10.70592 0.161 15.35455 C ? A ? 20 CA 1
   ATOM 453 C B SER A 21 ? 2.08154 40.08637 10.43793 0.161 14.28060 C ? A ? 20 C 1
   ATOM 454 O B SER A 21 ? 2.16095 40.88746 9.49537 0.161 14.43022 O ? A ? 20 O 1
   ATOM 455 CB B SER A 21 ? 2.90647 37.73261 10.10217 0.161 14.51518 C ? A ? 20 CB 1
   ATOM 456 OG B SER A 21 ? 2.74865 37.83405 8.70173 0.161 14.17895 O ? A ? 20 OG 1
   ATOM 457 H B SER A 21 ? 3.18917 38.24021 12.49230 0.161 19.21258 H ? A ? 20 H 1
   ATOM 458 HA B SER A 21 ? 4.01216 39.43670 10.27063 0.161 18.43811 H ? A ? 20 HA 1
   ATOM 459 HB2 B SER A 21 ? 3.64011 37.12824 10.29560 0.161 17.43086 H ? A ? 20 HB2 1
   ATOM 460 HB3 B SER A 21 ? 2.08512 37.39214 10.48995 0.161 17.43086 H ? A ? 20 HB3 1
   ATOM 461 HG B SER A 21 ? 2.85494 38.63073 8.45760 0.161 17.02739 H ? A ? 20 HG 1
   ATOM 462 N A HIS A 22 ? 1.13338 40.02997 11.14398 0.839 13.95584 N ? A ? 21 N 1
   ATOM 463 CA A HIS A 22 ? 0.01538 40.95349 10.91936 0.839 14.45266 C ? A ? 21 CA 1
   ATOM 464 C A HIS A 22 ? 0.35851 42.39194 11.30937 0.839 13.61797 C ? A ? 21 C 1
   ATOM 465 O A HIS A 22 ? -0.21830 43.33551 10.71218 0.839 13.61480 O ? A ? 21 O 1
   ATOM 466 CB A HIS A 22 ? -1.25491 40.43393 11.54683 0.839 14.66585 C ? A ? 21 CB 1
   ATOM 467 CG A HIS A 22 ? -1.85392 39.32221 10.74242 0.839 13.19351 C ? A ? 21 CG 1
   ATOM 468 ND1 A HIS A 22 ? -2.65292 39.54832 9.65758 0.839 13.88909 N ? A ? 21 ND1 1
   ATOM 469 CD2 A HIS A 22 ? -1.66011 37.96620 10.76825 0.839 12.77524 C ? A ? 21 CD2 1
   ATOM 470 CE1 A HIS A 22 ? -2.93059 38.38828 9.07149 0.839 12.69174 C ? A ? 21 CE1 1
   ATOM 471 NE2 A HIS A 22 ? -2.31683 37.41898 9.73502 0.839 12.54075 N ? A ? 21 NE2 1
   ATOM 472 H A HIS A 22 ? 1.00405 39.46077 11.77556 0.839 16.75965 H ? A ? 21 H 1
   ATOM 473 HA A HIS A 22 ? -0.17602 40.98873 9.96908 0.839 17.35583 H ? A ? 21 HA 1
   ATOM 474 HB2 A HIS A 22 ? -1.05838 40.09632 12.43469 0.839 17.61166 H ? A ? 21 HB2 1
   ATOM 475 HB3 A HIS A 22 ? -1.90253 41.15400 11.60153 0.839 17.61166 H ? A ? 21 HB3 1
   ATOM 476 HD2 A HIS A 22 ? -1.15672 37.50229 11.39777 0.839 15.34293 H ? A ? 21 HD2 1
   ATOM 477 HE1 A HIS A 22 ? -3.46683 38.27537 8.32009 0.839 15.24273 H ? A ? 21 HE1 1
   ATOM 478 HE2 A HIS A 22 ? -2.33638 36.58234 9.53689 0.839 15.06154 H ? A ? 21 HE2 1
   ATOM 479 N B HIS A 22 ? 1.02186 40.05299 11.24843 0.161 14.15841 N ? A ? 21 N 1
   ATOM 480 CA B HIS A 22 ? -0.10706 40.95602 11.03551 0.161 14.41932 C ? A ? 21 CA 1
   ATOM 481 C B HIS A 22 ? 0.17219 42.38126 11.48374 0.161 13.92227 C ? A ? 21 C 1
   ATOM 482 O B HIS A 22 ? -0.61851 43.27269 11.12865 0.161 11.36801 O ? A ? 21 O 1
   ATOM 483 CB B HIS A 22 ? -1.36243 40.43608 11.71720 0.161 14.61742 C ? A ? 21 CB 1
   ATOM 484 CG B HIS A 22 ? -1.96032 39.28422 11.00101 0.161 13.23679 C ? A ? 21 CG 1
   ATOM 485 ND1 B HIS A 22 ? -2.91697 39.43200 10.01899 0.161 13.74511 N ? A ? 21 ND1 1
   ATOM 486 CD2 B HIS A 22 ? -1.68088 37.96616 11.07218 0.161 13.68482 C ? A ? 21 CD2 1
   ATOM 487 CE1 B HIS A 22 ? -3.22882 38.23857 9.54424 0.161 12.00548 C ? A ? 21 CE1 1
   ATOM 488 NE2 B HIS A 22 ? -2.47503 37.33774 10.15500 0.161 12.91824 N ? A ? 21 NE2 1
   ATOM 489 H B HIS A 22 ? 0.93439 39.52297 11.92002 0.161 17.00273 H ? A ? 21 H 1
   ATOM 490 HA B HIS A 22 ? -0.28842 40.97872 10.08289 0.161 17.31583 H ? A ? 21 HA 1
   ATOM 491 HB2 B HIS A 22 ? -1.13894 40.14899 12.61639 0.161 17.55355 H ? A ? 21 HB2 1
   ATOM 492 HB3 B HIS A 22 ? -2.02239 41.14621 11.75008 0.161 17.55355 H ? A ? 21 HB3 1
   ATOM 493 HD2 B HIS A 22 ? -1.06410 37.56171 11.63865 0.161 16.43443 H ? A ? 21 HD2 1
   ATOM 494 HE1 B HIS A 22 ? -3.86838 38.06186 8.89259 0.161 14.41922 H ? A ? 21 HE1 1
   ATOM 495 HE2 B HIS A 22 ? -2.48383 36.49200 9.99930 0.161 15.51453 H ? A ? 21 HE2 1
   ATOM 496 N . PHE A 23 ? 1.22772 42.60884 12.27360 1.000 13.96294 N ? A ? 22 N 1
   ATOM 497 CA . PHE A 23 ? 1.73049 43.92218 12.58649 1.000 14.46628 C ? A ? 22 CA 1
   ATOM 498 C . PHE A 23 ? 2.73198 44.36349 11.54198 1.000 14.93202 C ? A ? 22 C 1
   ATOM 499 O . PHE A 23 ? 2.55409 45.43167 10.91339 1.000 15.14197 O ? A ? 22 O 1
   ATOM 500 CB . PHE A 23 ? 2.34132 43.86279 13.99837 1.000 14.53601 C ? A ? 22 CB 1
   ATOM 501 CG . PHE A 23 ? 2.92643 45.19080 14.41797 1.000 15.85513 C ? A ? 22 CG 1
   ATOM 502 CD1 . PHE A 23 ? 2.09971 46.24254 14.72878 1.000 17.32720 C ? A ? 22 CD1 1
   ATOM 503 CD2 . PHE A 23 ? 4.26680 45.38600 14.49131 1.000 17.38889 C ? A ? 22 CD2 1
   ATOM 504 CE1 . PHE A 23 ? 2.62436 47.48698 15.12312 1.000 18.37328 C ? A ? 22 CE1 1
   ATOM 505 CE2 . PHE A 23 ? 4.76305 46.66005 14.88592 1.000 20.77358 C ? A ? 22 CE2 1
   ATOM 506 CZ . PHE A 23 ? 3.85457 47.65651 15.16700 1.000 20.62662 C ? A ? 22 CZ 1
   ATOM 507 HA . PHE A 23 ? 1.02169 44.58435 12.59117 1.000 17.37217 H ? A ? 22 HA 1
   ATOM 508 HB2 . PHE A 23 ? 1.65027 43.62095 14.63465 1.000 17.45585 H ? A ? 22 HB2 1
   ATOM 509 HB3 . PHE A 23 ? 3.05042 43.20104 14.01123 1.000 17.45585 H ? A ? 22 HB3 1
   ATOM 510 HD1 . PHE A 23 ? 1.17793 46.13028 14.67773 1.000 20.80529 H ? A ? 22 HD1 1
   ATOM 511 HD2 . PHE A 23 ? 4.85466 44.69520 14.28609 1.000 20.87931 H ? A ? 22 HD2 1
   ATOM 512 HE1 . PHE A 23 ? 2.05058 48.18253 15.35091 1.000 22.06058 H ? A ? 22 HE1 1
   ATOM 513 HE2 . PHE A 23 ? 5.67749 46.81591 14.95234 1.000 24.94094 H ? A ? 22 HE2 1
   ATOM 514 HZ . PHE A 23 ? 4.17748 48.49671 15.40089 1.000 24.76459 H ? A ? 22 HZ 1
   ATOM 515 H A PHE A 23 ? 1.55173 41.99139 12.77696 0.839 16.76817 H ? A ? 22 H 1
   ATOM 516 H B PHE A 23 ? 1.68071 41.98254 12.65063 0.161 16.76817 H ? A ? 22 H 1
   ATOM 517 N . GLY A 24 ? 3.80868 43.60603 11.33507 1.000 14.95275 N ? A ? 23 N 1
   ATOM 518 CA . GLY A 24 ? 4.87684 44.00533 10.50058 1.000 15.86636 C ? A ? 23 CA 1
   ATOM 519 C . GLY A 24 ? 4.48834 44.17430 9.06117 1.000 15.22134 C ? A ? 23 C 1
   ATOM 520 O . GLY A 24 ? 5.10827 45.02824 8.38601 1.000 15.25702 O ? A ? 23 O 1
   ATOM 521 H . GLY A 24 ? 3.92781 42.83169 11.68975 1.000 17.95594 H ? A ? 23 H 1
   ATOM 522 HA2 . GLY A 24 ? 5.22599 44.85259 10.81861 1.000 19.05227 H ? A ? 23 HA2 1
   ATOM 523 HA3 . GLY A 24 ? 5.57897 43.33758 10.54549 1.000 19.05227 H ? A ? 23 HA3 1
   ATOM 524 N . ARG A 25 ? 3.50484 43.45419 8.57469 1.000 14.79439 N ? A ? 24 N 1
   ATOM 525 CA . ARG A 25 ? 3.14143 43.62016 7.16411 1.000 14.56824 C ? A ? 24 CA 1
   ATOM 526 C . ARG A 25 ? 2.59079 45.00439 6.86860 1.000 14.45263 C ? A ? 24 C 1
   ATOM 527 O . ARG A 25 ? 2.45532 45.33558 5.68501 1.000 15.24194 O ? A ? 24 O 1
   ATOM 528 CB . ARG A 25 ? 2.13411 42.58903 6.72627 1.000 15.96568 C ? A ? 24 CB 1
   ATOM 529 CG . ARG A 25 ? 0.78163 42.67808 7.30690 1.000 14.69750 C ? A ? 24 CG 1
   ATOM 530 CD . ARG A 25 ? -0.15933 41.62482 6.86206 1.000 14.86531 C ? A ? 24 CD 1
   ATOM 531 NE . ARG A 25 ? 0.26128 40.24775 7.24548 1.000 14.17581 N ? A ? 24 NE 1
   ATOM 532 CZ . ARG A 25 ? -0.21538 39.14495 6.73915 1.000 14.02256 C ? A ? 24 CZ 1
   ATOM 533 NH1 . ARG A 25 ? -1.19868 39.15087 5.87425 1.000 15.14865 N ? A ? 24 NH1 1
   ATOM 534 NH2 . ARG A 25 ? 0.32194 37.95804 7.05075 1.000 14.45401 N ? A ? 24 NH2 1
   ATOM 535 H . ARG A 25 ? 3.04078 42.87932 9.01489 1.000 17.76591 H ? A ? 24 H 1
   ATOM 536 HA . ARG A 25 ? 3.94362 43.47824 6.63757 1.000 17.49453 H ? A ? 24 HA 1
   ATOM 537 HB2 . ARG A 25 ? 2.03244 42.66108 5.76431 1.000 19.17146 H ? A ? 24 HB2 1
   ATOM 538 HB3 . ARG A 25 ? 2.48273 41.71412 6.95843 1.000 19.17146 H ? A ? 24 HB3 1
   ATOM 539 HG2 . ARG A 25 ? 0.85565 42.61238 8.27184 1.000 17.64964 H ? A ? 24 HG2 1
   ATOM 540 HG3 . ARG A 25 ? 0.39659 43.53380 7.06120 1.000 17.64964 H ? A ? 24 HG3 1
   ATOM 541 HD2 . ARG A 25 ? -1.02727 41.79139 7.26185 1.000 17.85102 H ? A ? 24 HD2 1
   ATOM 542 HD3 . ARG A 25 ? -0.22826 41.65485 5.89498 1.000 17.85102 H ? A ? 24 HD3 1
   ATOM 543 HE . ARG A 25 ? 0.86820 40.17439 7.85035 1.000 17.02361 H ? A ? 24 HE 1
   ATOM 544 HH11 . ARG A 25 ? -1.54805 39.89629 5.62547 1.000 18.19102 H ? A ? 24 HH11 1
   ATOM 545 HH12 . ARG A 25 ? -1.49505 38.40934 5.55503 1.000 18.19102 H ? A ? 24 HH12 1
   ATOM 546 HH21 . ARG A 25 ? 0.98980 37.91689 7.59100 1.000 17.35745 H ? A ? 24 HH21 1
   ATOM 547 HH22 . ARG A 25 ? -0.00098 37.23722 6.71053 1.000 17.35745 H ? A ? 24 HH22 1
   ATOM 548 N A MET A 26 ? 2.23267 45.77667 7.89461 0.087 14.03548 N ? A ? 25 N 1
   ATOM 549 CA A MET A 26 ? 1.72111 47.12767 7.71716 0.087 13.93795 C ? A ? 25 CA 1
   ATOM 550 C A MET A 26 ? 2.82303 48.16758 7.63784 0.087 13.91316 C ? A ? 25 C 1
   ATOM 551 O A MET A 26 ? 2.53645 49.33344 7.33146 0.087 14.55648 O ? A ? 25 O 1
   ATOM 552 CB A MET A 26 ? 0.82827 47.52055 8.89271 0.087 14.32268 C ? A ? 25 CB 1
   ATOM 553 CG A MET A 26 ? -0.43211 46.73030 9.00216 0.087 13.80517 C ? A ? 25 CG 1
   ATOM 554 SD A MET A 26 ? -1.47713 47.39063 10.29332 0.087 6.22504 S ? A ? 25 SD 1
   ATOM 555 CE A MET A 26 ? -0.57811 46.88366 11.77145 0.087 12.17636 C ? A ? 25 CE 1
   ATOM 556 H A MET A 26 ? 2.27894 45.53271 8.71798 0.087 16.85522 H ? A ? 25 H 1
   ATOM 557 HA A MET A 26 ? 1.19370 47.13248 6.90309 0.087 16.73818 H ? A ? 25 HA 1
   ATOM 558 HB2 A MET A 26 ? 1.32644 47.39325 9.71522 0.087 17.19986 H ? A ? 25 HB2 1
   ATOM 559 HB3 A MET A 26 ? 0.58171 48.45361 8.79521 0.087 17.19986 H ? A ? 25 HB3 1
   ATOM 560 HG2 A MET A 26 ? -0.91508 46.77181 8.16197 0.087 16.57885 H ? A ? 25 HG2 1
   ATOM 561 HG3 A MET A 26 ? -0.21956 45.80869 9.21747 0.087 16.57885 H ? A ? 25 HG3 1
   ATOM 562 HE1 A MET A 26 ? -1.12452 46.26026 12.27514 0.087 14.62427 H ? A ? 25 HE1 1
   ATOM 563 HE2 A MET A 26 ? 0.25131 46.45664 11.50570 0.087 14.62427 H ? A ? 25 HE2 1
   ATOM 564 HE3 A MET A 26 ? -0.38866 47.66766 12.31029 0.087 14.62427 H ? A ? 25 HE3 1
   ATOM 565 N B MET A 26 ? 2.24267 45.77519 7.89635 0.913 14.08056 N ? A ? 25 N 1
   ATOM 566 CA B MET A 26 ? 1.74491 47.15242 7.64108 0.913 13.71419 C ? A ? 25 CA 1
   ATOM 567 C B MET A 26 ? 2.85344 48.14507 7.60632 0.913 13.92392 C ? A ? 25 C 1
   ATOM 568 O B MET A 26 ? 2.57918 49.33379 7.25016 0.913 14.54806 O ? A ? 25 O 1
   ATOM 569 CB B MET A 26 ? 0.69749 47.50911 8.68826 0.913 14.51058 C ? A ? 25 CB 1
   ATOM 570 CG B MET A 26 ? -0.52520 46.70717 8.59334 0.913 14.17170 C ? A ? 25 CG 1
   ATOM 571 SD B MET A 26 ? -1.85109 47.18219 9.75314 0.913 14.28808 S ? A ? 25 SD 1
   ATOM 572 CE B MET A 26 ? -1.08086 46.67126 11.30667 0.913 15.12529 C ? A ? 25 CE 1
   ATOM 573 H B MET A 26 ? 2.27968 45.54386 8.72382 0.913 16.90932 H ? A ? 25 H 1
   ATOM 574 HA B MET A 26 ? 1.29288 47.19869 6.78409 0.913 16.46968 H ? A ? 25 HA 1
   ATOM 575 HB2 B MET A 26 ? 1.07682 47.36840 9.56985 0.913 17.42534 H ? A ? 25 HB2 1
   ATOM 576 HB3 B MET A 26 ? 0.45052 48.44066 8.57817 0.913 17.42534 H ? A ? 25 HB3 1
   ATOM 577 HG2 B MET A 26 ? -0.88055 46.79366 7.69493 0.913 17.01869 H ? A ? 25 HG2 1
   ATOM 578 HG3 B MET A 26 ? -0.30006 45.78098 8.77332 0.913 17.01869 H ? A ? 25 HG3 1
   ATOM 579 HE1 B MET A 26 ? -1.72204 46.77700 12.02681 0.913 18.16299 H ? A ? 25 HE1 1
   ATOM 580 HE2 B MET A 26 ? -0.81339 45.74157 11.23577 0.913 18.16299 H ? A ? 25 HE2 1
   ATOM 581 HE3 B MET A 26 ? -0.30346 47.22745 11.47162 0.913 18.16299 H ? A ? 25 HE3 1
   ATOM 582 N A THR A 27 ? 4.06354 47.78761 7.92534 0.087 14.39565 N ? A ? 26 N 1
   ATOM 583 CA A THR A 27 ? 5.15569 48.75857 7.93385 0.087 14.65445 C ? A ? 26 CA 1
   ATOM 584 C A THR A 27 ? 5.27467 49.51757 6.62658 0.087 14.98874 C ? A ? 26 C 1
   ATOM 585 O A THR A 27 ? 5.41651 50.75588 6.66331 0.087 15.70703 O ? A ? 26 O 1
   ATOM 586 CB A THR A 27 ? 6.46420 48.05947 8.31911 0.087 16.00104 C ? A ? 26 CB 1
   ATOM 587 OG1 A THR A 27 ? 6.40301 47.66204 9.69544 0.087 17.32505 O ? A ? 26 OG1 1
   ATOM 588 CG2 A THR A 27 ? 7.66321 48.97929 8.09936 0.087 19.52312 C ? A ? 26 CG2 1
   ATOM 589 H A THR A 27 ? 4.29962 46.98322 8.11722 0.087 17.28742 H ? A ? 26 H 1
   ATOM 590 HA A THR A 27 ? 4.96253 49.41446 8.62189 0.087 17.59799 H ? A ? 26 HA 1
   ATOM 591 HB A THR A 27 ? 6.58843 47.27611 7.76071 0.087 19.21389 H ? A ? 26 HB 1
   ATOM 592 HG1 A THR A 27 ? 6.29524 48.33631 10.18466 0.087 20.80270 H ? A ? 26 HG1 1
   ATOM 593 HG21 A THR A 27 ? 8.43591 48.63651 8.57512 0.087 23.44038 H ? A ? 26 HG21 1
   ATOM 594 HG22 A THR A 27 ? 7.87305 49.03064 7.15373 0.087 23.44038 H ? A ? 26 HG22 1
   ATOM 595 HG23 A THR A 27 ? 7.46214 49.87023 8.42603 0.087 23.44038 H ? A ? 26 HG23 1
   ATOM 596 N B THR A 27 ? 4.09871 47.80264 7.91302 0.913 14.14815 N ? A ? 26 N 1
   ATOM 597 CA B THR A 27 ? 5.15430 48.78802 7.92218 0.913 14.49381 C ? A ? 26 CA 1
   ATOM 598 C B THR A 27 ? 5.29391 49.53026 6.59337 0.913 14.78410 C ? A ? 26 C 1
   ATOM 599 O B THR A 27 ? 5.42819 50.77762 6.61165 0.913 15.60628 O ? A ? 26 O 1
   ATOM 600 CB B THR A 27 ? 6.51492 48.18619 8.29382 0.913 15.81168 C ? A ? 26 CB 1
   ATOM 601 OG1 B THR A 27 ? 6.39137 47.50972 9.55354 0.913 17.44557 O ? A ? 26 OG1 1
   ATOM 602 CG2 B THR A 27 ? 7.58031 49.20305 8.37927 0.913 20.43827 C ? A ? 26 CG2 1
   ATOM 603 H B THR A 27 ? 4.35322 47.00723 8.11834 0.913 16.99043 H ? A ? 26 H 1
   ATOM 604 HA B THR A 27 ? 4.90703 49.41146 8.62294 0.913 17.40521 H ? A ? 26 HA 1
   ATOM 605 HB B THR A 27 ? 6.78248 47.56551 7.59807 0.913 18.98666 H ? A ? 26 HB 1
   ATOM 606 HG1 B THR A 27 ? 5.80410 46.91135 9.50193 0.913 20.94733 H ? A ? 26 HG1 1
   ATOM 607 HG21 B THR A 27 ? 8.37694 48.81643 8.77526 0.913 24.53857 H ? A ? 26 HG21 1
   ATOM 608 HG22 B THR A 27 ? 7.79715 49.53166 7.49276 0.913 24.53857 H ? A ? 26 HG22 1
   ATOM 609 HG23 B THR A 27 ? 7.28560 49.94707 8.92743 0.913 24.53857 H ? A ? 26 HG23 1
   ATOM 610 N . PRO A 28 ? 5.24690 48.88517 5.45312 1.000 14.46043 N ? A ? 27 N 1
   ATOM 611 CA . PRO A 28 ? 5.37395 49.66978 4.21371 1.000 15.68795 C ? A ? 27 CA 1
   ATOM 612 C . PRO A 28 ? 4.22089 50.62361 4.01230 1.000 14.90615 C ? A ? 27 C 1
   ATOM 613 O . PRO A 28 ? 4.40341 51.70054 3.36325 1.000 14.97239 O ? A ? 27 O 1
   ATOM 614 CB . PRO A 28 ? 5.38573 48.61305 3.10798 1.000 15.73733 C ? A ? 27 CB 1
   ATOM 615 CG . PRO A 28 ? 5.87871 47.34657 3.81307 1.000 16.81840 C ? A ? 27 CG 1
   ATOM 616 CD . PRO A 28 ? 5.23922 47.42935 5.18878 1.000 15.64099 C ? A ? 27 CD 1
   ATOM 617 HA . PRO A 28 ? 6.21935 50.14539 4.21564 1.000 18.83818 H ? A ? 27 HA 1
   ATOM 618 HB2 . PRO A 28 ? 4.49155 48.49124 2.75230 1.000 18.89744 H ? A ? 27 HB2 1
   ATOM 619 HB3 . PRO A 28 ? 5.99171 48.87819 2.39848 1.000 18.89744 H ? A ? 27 HB3 1
   ATOM 620 HG2 . PRO A 28 ? 5.58072 46.55762 3.33385 1.000 20.19473 H ? A ? 27 HG2 1
   ATOM 621 HG3 . PRO A 28 ? 6.84674 47.35147 3.87458 1.000 20.19473 H ? A ? 27 HG3 1
   ATOM 622 HD2 . PRO A 28 ? 4.33362 47.08211 5.17411 1.000 18.78184 H ? A ? 27 HD2 1
   ATOM 623 HD3 . PRO A 28 ? 5.76686 46.95216 5.84816 1.000 18.78184 H ? A ? 27 HD3 1
   ATOM 624 N . VAL A 29 ? 3.02900 50.29381 4.47825 1.000 14.15554 N ? A ? 28 N 1
   ATOM 625 CA . VAL A 29 ? 1.88326 51.18549 4.34802 1.000 13.94893 C ? A ? 28 CA 1
   ATOM 626 C . VAL A 29 ? 2.03346 52.40643 5.24469 1.000 15.34750 C ? A ? 28 C 1
   ATOM 627 O . VAL A 29 ? 1.83923 53.56161 4.80776 1.000 15.18954 O ? A ? 28 O 1
   ATOM 628 CB . VAL A 29 ? 0.61357 50.42157 4.68677 1.000 14.45739 C ? A ? 28 CB 1
   ATOM 629 CG1 . VAL A 29 ? -0.57697 51.40583 4.66194 1.000 14.55848 C ? A ? 28 CG1 1
   ATOM 630 CG2 . VAL A 29 ? 0.37122 49.31682 3.68913 1.000 14.94470 C ? A ? 28 CG2 1
   ATOM 631 H . VAL A 29 ? 2.85093 49.55365 4.87831 1.000 16.99929 H ? A ? 28 H 1
   ATOM 632 HA . VAL A 29 ? 1.84009 51.49744 3.43057 1.000 16.75136 H ? A ? 28 HA 1
   ATOM 633 HB . VAL A 29 ? 0.70157 50.02135 5.56597 1.000 17.36151 H ? A ? 28 HB 1
   ATOM 634 HG11 . VAL A 29 ? -1.40480 50.90079 4.68518 1.000 17.48281 H ? A ? 28 HG11 1
   ATOM 635 HG12 . VAL A 29 ? -0.52230 51.98719 5.43649 1.000 17.48281 H ? A ? 28 HG12 1
   ATOM 636 HG13 . VAL A 29 ? -0.53389 51.93310 3.84890 1.000 17.48281 H ? A ? 28 HG13 1
   ATOM 637 HG21 . VAL A 29 ? -0.46029 48.86875 3.90989 1.000 17.94628 H ? A ? 28 HG21 1
   ATOM 638 HG22 . VAL A 29 ? 0.31411 49.70093 2.80025 1.000 17.94628 H ? A ? 28 HG22 1
   ATOM 639 HG23 . VAL A 29 ? 1.10758 48.68678 3.73053 1.000 17.94628 H ? A ? 28 HG23 1
   ATOM 640 N A VAL A 30 ? 2.42305 52.20906 6.50770 0.457 15.87353 N ? A ? 29 N 1
   ATOM 641 CA A VAL A 30 ? 2.64746 53.39425 7.33824 0.457 16.13693 C ? A ? 29 CA 1
   ATOM 642 C A VAL A 30 ? 3.90184 54.17996 6.87380 0.457 15.73674 C ? A ? 29 C 1
   ATOM 643 O A VAL A 30 ? 4.04568 55.38309 7.16381 0.457 18.64942 O ? A ? 29 O 1
   ATOM 644 CB A VAL A 30 ? 2.62060 53.00529 8.84607 0.457 17.86300 C ? A ? 29 CB 1
   ATOM 645 CG1 A VAL A 30 ? 1.30194 52.30077 9.29152 0.457 18.56707 C ? A ? 29 CG1 1
   ATOM 646 CG2 A VAL A 30 ? 3.80465 52.16701 9.16524 0.457 20.71657 C ? A ? 29 CG2 1
   ATOM 647 H A VAL A 30 ? 2.55606 51.44720 6.88383 0.457 19.06088 H ? A ? 29 H 1
   ATOM 648 HA A VAL A 30 ? 1.91708 54.02425 7.23558 0.457 19.37696 H ? A ? 29 HA 1
   ATOM 649 HB A VAL A 30 ? 2.65381 53.82903 9.35720 0.457 21.44825 H ? A ? 29 HB 1
   ATOM 650 HG11 A VAL A 30 ? 1.34364 52.12616 10.24477 0.457 22.29313 H ? A ? 29 HG11 1
   ATOM 651 HG12 A VAL A 30 ? 0.55104 52.88227 9.09430 0.457 22.29313 H ? A ? 29 HG12 1
   ATOM 652 HG13 A VAL A 30 ? 1.21032 51.46602 8.80603 0.457 22.29313 H ? A ? 29 HG13 1
   ATOM 653 HG21 A VAL A 30 ? 3.81099 51.97864 10.11675 0.457 24.87253 H ? A ? 29 HG21 1
   ATOM 654 HG22 A VAL A 30 ? 3.74910 51.33822 8.66433 0.457 24.87253 H ? A ? 29 HG22 1
   ATOM 655 HG23 A VAL A 30 ? 4.60904 52.64954 8.91821 0.457 24.87253 H ? A ? 29 HG23 1
   ATOM 656 N B VAL A 30 ? 2.45912 52.18471 6.48756 0.543 15.89000 N ? A ? 29 N 1
   ATOM 657 CA B VAL A 30 ? 2.65772 53.29919 7.41465 0.543 16.44965 C ? A ? 29 CA 1
   ATOM 658 C B VAL A 30 ? 3.60067 54.31634 6.82148 0.543 15.31164 C ? A ? 29 C 1
   ATOM 659 O B VAL A 30 ? 3.37589 55.53562 6.88336 0.543 15.86339 O ? A ? 29 O 1
   ATOM 660 CB B VAL A 30 ? 3.21711 52.73426 8.73871 0.543 16.97030 C ? A ? 29 CB 1
   ATOM 661 CG1 B VAL A 30 ? 3.71894 53.79523 9.62704 0.543 19.25204 C ? A ? 29 CG1 1
   ATOM 662 CG2 B VAL A 30 ? 2.12864 52.00395 9.38114 0.543 18.71469 C ? A ? 29 CG2 1
   ATOM 663 H B VAL A 30 ? 2.63795 51.41004 6.81545 0.543 19.08064 H ? A ? 29 H 1
   ATOM 664 HA B VAL A 30 ? 1.81137 53.74432 7.57728 0.543 19.75222 H ? A ? 29 HA 1
   ATOM 665 HB B VAL A 30 ? 3.97441 52.15473 8.56112 0.543 20.37700 H ? A ? 29 HB 1
   ATOM 666 HG11 B VAL A 30 ? 4.11089 53.38796 10.41533 0.543 23.11509 H ? A ? 29 HG11 1
   ATOM 667 HG12 B VAL A 30 ? 4.38940 54.31242 9.15385 0.543 23.11509 H ? A ? 29 HG12 1
   ATOM 668 HG13 B VAL A 30 ? 2.97953 54.36821 9.88369 0.543 23.11509 H ? A ? 29 HG13 1
   ATOM 669 HG21 B VAL A 30 ? 2.44814 51.63327 10.21865 0.543 22.47027 H ? A ? 29 HG21 1
   ATOM 670 HG22 B VAL A 30 ? 1.39408 52.61490 9.54867 0.543 22.47027 H ? A ? 29 HG22 1
   ATOM 671 HG23 B VAL A 30 ? 1.83725 51.28970 8.79307 0.543 22.47027 H ? A ? 29 HG23 1
   ATOM 672 N A LYS A 31 ? 4.82093 53.58007 6.14246 0.457 16.80140 N ? A ? 30 N 1
   ATOM 673 CA A LYS A 31 ? 5.95073 54.35481 5.62664 0.457 16.55531 C ? A ? 30 CA 1
   ATOM 674 C A LYS A 31 ? 5.64926 55.01374 4.28980 0.457 16.83503 C ? A ? 30 C 1
   ATOM 675 O A LYS A 31 ? 6.51443 55.73975 3.77097 0.457 16.88221 O ? A ? 30 O 1
   ATOM 676 CB A LYS A 31 ? 7.15902 53.46462 5.43031 0.457 18.42748 C ? A ? 30 CB 1
   ATOM 677 CG A LYS A 31 ? 7.86456 53.10731 6.68902 0.457 21.09041 C ? A ? 30 CG 1
   ATOM 678 CD A LYS A 31 ? 8.97921 52.15453 6.40640 0.457 24.09752 C ? A ? 30 CD 1
   ATOM 679 CE A LYS A 31 ? 9.85236 51.84430 7.61809 0.457 28.56430 C ? A ? 30 CE 1
   ATOM 680 NZ A LYS A 31 ? 10.99857 50.90670 7.27303 0.457 26.03930 N ? A ? 30 NZ 1
   ATOM 681 H A LYS A 31 ? 4.81951 52.74621 5.93204 0.457 20.17432 H ? A ? 30 H 1
   ATOM 682 HA A LYS A 31 ? 6.16726 55.03730 6.28103 0.457 19.87901 H ? A ? 30 HA 1
   ATOM 683 HB2 A LYS A 31 ? 6.87088 52.63919 5.01014 0.457 22.12561 H ? A ? 30 HB2 1
   ATOM 684 HB3 A LYS A 31 ? 7.79307 53.92443 4.85807 0.457 22.12561 H ? A ? 30 HB3 1
   ATOM 685 HG2 A LYS A 31 ? 8.23577 53.90736 7.09279 0.457 25.32114 H ? A ? 30 HG2 1
   ATOM 686 HG3 A LYS A 31 ? 7.24316 52.68408 7.30192 0.457 25.32114 H ? A ? 30 HG3 1
   ATOM 687 HD2 A LYS A 31 ? 8.60200 51.31745 6.09350 0.457 28.92967 H ? A ? 30 HD2 1
   ATOM 688 HD3 A LYS A 31 ? 9.55053 52.53724 5.72228 0.457 28.92967 H ? A ? 30 HD3 1
   ATOM 689 HE2 A LYS A 31 ? 10.22957 52.67037 7.95902 0.457 34.28980 H ? A ? 30 HE2 1
   ATOM 690 HE3 A LYS A 31 ? 9.31012 51.42029 8.30153 0.457 34.28980 H ? A ? 30 HE3 1
   ATOM 691 HZ1 A LYS A 31 ? 11.49109 50.74862 7.99728 0.457 31.25981 H ? A ? 30 HZ1 1
   ATOM 692 HZ2 A LYS A 31 ? 10.67867 50.13458 6.96710 0.457 31.25981 H ? A ? 30 HZ2 1
   ATOM 693 HZ3 A LYS A 31 ? 11.51434 51.27380 6.64748 0.457 31.25981 H ? A ? 30 HZ3 1
   ATOM 694 N B LYS A 31 ? 4.71449 53.83411 6.32224 0.543 15.09814 N ? A ? 30 N 1
   ATOM 695 CA B LYS A 31 ? 5.74631 54.65441 5.68334 0.543 16.22267 C ? A ? 30 CA 1
   ATOM 696 C B LYS A 31 ? 5.38668 55.19527 4.29351 0.543 16.22428 C ? A ? 30 C 1
   ATOM 697 O B LYS A 31 ? 6.12207 56.07393 3.77700 0.543 15.94543 O ? A ? 30 O 1
   ATOM 698 CB B LYS A 31 ? 7.01779 53.81097 5.59325 0.543 16.65814 C ? A ? 30 CB 1
   ATOM 699 CG B LYS A 31 ? 7.55288 53.28279 6.95301 0.543 20.12760 C ? A ? 30 CG 1
   ATOM 700 CD B LYS A 31 ? 8.88228 52.52336 6.86791 0.543 25.83760 C ? A ? 30 CD 1
   ATOM 701 CE B LYS A 31 ? 9.44869 52.25025 8.29735 0.543 27.43006 C ? A ? 30 CE 1
   ATOM 702 NZ B LYS A 31 ? 9.58839 53.45768 9.17213 0.543 42.11637 N ? A ? 30 NZ 1
   ATOM 703 H B LYS A 31 ? 4.91715 52.99844 6.33554 0.543 18.13042 H ? A ? 30 H 1
   ATOM 704 HA B LYS A 31 ? 5.89946 55.44111 6.22973 0.543 19.47985 H ? A ? 30 HA 1
   ATOM 705 HB2 B LYS A 31 ? 6.83587 53.04024 5.03309 0.543 20.00241 H ? A ? 30 HB2 1
   ATOM 706 HB3 B LYS A 31 ? 7.71771 54.35223 5.19570 0.543 20.00241 H ? A ? 30 HB3 1
   ATOM 707 HG2 B LYS A 31 ? 7.68663 54.03810 7.54675 0.543 24.16577 H ? A ? 30 HG2 1
   ATOM 708 HG3 B LYS A 31 ? 6.89531 52.67720 7.32953 0.543 24.16577 H ? A ? 30 HG3 1
   ATOM 709 HD2 B LYS A 31 ? 8.74286 51.67275 6.42302 0.543 31.01776 H ? A ? 30 HD2 1
   ATOM 710 HD3 B LYS A 31 ? 9.52848 53.05332 6.37550 0.543 31.01776 H ? A ? 30 HD3 1
   ATOM 711 HE2 B LYS A 31 ? 8.85310 51.63292 8.75020 0.543 32.92872 H ? A ? 30 HE2 1
   ATOM 712 HE3 B LYS A 31 ? 10.33005 51.85525 8.20744 0.543 32.92872 H ? A ? 30 HE3 1
   ATOM 713 HZ1 B LYS A 31 ? 10.00680 53.24000 9.92688 0.543 50.55228 H ? A ? 30 HZ1 1
   ATOM 714 HZ2 B LYS A 31 ? 10.05892 54.08536 8.75173 0.543 50.55228 H ? A ? 30 HZ2 1
   ATOM 715 HZ3 B LYS A 31 ? 8.78466 53.78398 9.37121 0.543 50.55228 H ? A ? 30 HZ3 1
   ATOM 716 N A GLY A 32 ? 4.47400 54.77361 3.71088 0.457 16.34441 N ? A ? 31 N 1
   ATOM 717 CA A GLY A 32 ? 4.10406 55.31805 2.41410 0.457 16.00679 C ? A ? 31 CA 1
   ATOM 718 C A GLY A 32 ? 4.71372 54.59053 1.23276 0.457 14.99050 C ? A ? 31 C 1
   ATOM 719 O A GLY A 32 ? 4.45452 54.96796 0.07675 0.457 14.75132 O ? A ? 31 O 1
   ATOM 720 H A GLY A 32 ? 3.85950 54.28465 4.06145 0.457 19.62594 H ? A ? 31 H 1
   ATOM 721 HA2 A GLY A 32 ? 3.13919 55.27866 2.32252 0.457 19.22079 H ? A ? 31 HA2 1
   ATOM 722 HA3 A GLY A 32 ? 4.38771 56.24469 2.37192 0.457 19.22079 H ? A ? 31 HA3 1
   ATOM 723 N B GLY A 32 ? 4.30641 54.74937 3.67270 0.543 16.18033 N ? A ? 31 N 1
   ATOM 724 CA B GLY A 32 ? 3.96583 55.24849 2.35410 0.543 15.77259 C ? A ? 31 CA 1
   ATOM 725 C B GLY A 32 ? 4.69246 54.57010 1.20690 0.543 14.98088 C ? A ? 31 C 1
   ATOM 726 O B GLY A 32 ? 4.48050 54.94382 0.04204 0.543 14.69992 O ? A ? 31 O 1
   ATOM 727 H B GLY A 32 ? 3.76192 54.16487 3.99128 0.543 19.42904 H ? A ? 31 H 1
   ATOM 728 HA2 B GLY A 32 ? 3.01363 55.12859 2.21321 0.543 18.93975 H ? A ? 31 HA2 1
   ATOM 729 HA3 B GLY A 32 ? 4.17377 56.19522 2.31730 0.543 18.93975 H ? A ? 31 HA3 1
   ATOM 730 N . GLN A 33 ? 5.51341 53.54502 1.48983 1.000 14.75485 N ? A ? 32 N 1
   ATOM 731 CA . GLN A 33 ? 6.13218 52.77399 0.45737 1.000 14.69655 C ? A ? 32 CA 1
   ATOM 732 C . GLN A 33 ? 5.15612 51.85163 -0.27622 1.000 13.96376 C ? A ? 32 C 1
   ATOM 733 O . GLN A 33 ? 5.48240 51.39441 -1.35510 1.000 15.90581 O ? A ? 32 O 1
   ATOM 734 CB . GLN A 33 ? 7.25435 51.93376 1.06032 1.000 17.33237 C ? A ? 32 CB 1
   ATOM 735 CG . GLN A 33 ? 8.31650 52.74733 1.65167 1.000 22.50254 C ? A ? 32 CG 1
   ATOM 736 CD . GLN A 33 ? 9.22530 51.96049 2.59255 1.000 37.87468 C ? A ? 32 CD 1
   ATOM 737 OE1 . GLN A 33 ? 8.92595 50.81501 2.97603 1.000 42.58173 O ? A ? 32 OE1 1
   ATOM 738 NE2 . GLN A 33 ? 10.30818 52.59474 3.00232 1.000 48.84813 N ? A ? 32 NE2 1
   ATOM 739 HA . GLN A 33 ? 6.50264 53.38592 -0.19776 1.000 17.64850 H ? A ? 32 HA 1
   ATOM 740 HB2 . GLN A 33 ? 6.88580 51.36859 1.75720 1.000 20.81149 H ? A ? 32 HB2 1
   ATOM 741 HB3 . GLN A 33 ? 7.64829 51.38649 0.36303 1.000 20.81149 H ? A ? 32 HB3 1
   ATOM 742 HG2 . GLN A 33 ? 8.86703 53.11050 0.94040 1.000 27.01569 H ? A ? 32 HG2 1
   ATOM 743 HG3 . GLN A 33 ? 7.91370 53.46829 2.16046 1.000 27.01569 H ? A ? 32 HG3 1
   ATOM 744 HE21 . GLN A 33 ? 10.46189 53.39839 2.73753 1.000 58.63039 H ? A ? 32 HE21 1
   ATOM 745 HE22 . GLN A 33 ? 10.85990 52.20426 3.53405 1.000 58.63039 H ? A ? 32 HE22 1
   ATOM 746 H A GLN A 33 ? 5.70643 53.27019 2.28155 0.457 17.71847 H ? A ? 32 H 1
   ATOM 747 H B GLN A 33 ? 5.71682 53.29010 2.28560 0.543 17.71847 H ? A ? 32 H 1
   ATOM 748 N . ALA A 34 ? 4.02302 51.54855 0.30650 1.000 14.20085 N ? A ? 33 N 1
   ATOM 749 CA . ALA A 34 ? 2.90584 50.79737 -0.27515 1.000 13.71831 C ? A ? 33 CA 1
   ATOM 750 C . ALA A 34 ? 1.68418 51.65271 -0.11422 1.000 14.10802 C ? A ? 33 C 1
   ATOM 751 O . ALA A 34 ? 1.61086 52.41784 0.82657 1.000 14.18743 O ? A ? 33 O 1
   ATOM 752 CB . ALA A 34 ? 2.77690 49.43054 0.43963 1.000 15.17800 C ? A ? 33 CB 1
   ATOM 753 H . ALA A 34 ? 3.84727 51.78257 1.11517 1.000 17.05366 H ? A ? 33 H 1
   ATOM 754 HA . ALA A 34 ? 3.01133 50.60156 -1.21931 1.000 16.47461 H ? A ? 33 HA 1
   ATOM 755 HB1 . ALA A 34 ? 2.03356 48.94123 0.05372 1.000 18.22624 H ? A ? 33 HB1 1
   ATOM 756 HB2 . ALA A 34 ? 3.59992 48.93176 0.31816 1.000 18.22624 H ? A ? 33 HB2 1
   ATOM 757 HB3 . ALA A 34 ? 2.61830 49.58200 1.38451 1.000 18.22624 H ? A ? 33 HB3 1
   ATOM 758 N . PRO A 35 ? 0.66659 51.48618 -0.97265 1.000 14.50434 N ? A ? 34 N 1
   ATOM 759 CA . PRO A 35 ? -0.52023 52.31471 -0.90508 1.000 14.73974 C ? A ? 34 CA 1
   ATOM 760 C . PRO A 35 ? -1.33905 52.03582 0.33872 1.000 13.57649 C ? A ? 34 C 1
   ATOM 761 O . PRO A 35 ? -1.29056 50.89711 0.88891 1.000 14.16365 O ? A ? 34 O 1
   ATOM 762 CB . PRO A 35 ? -1.25775 51.95212 -2.19945 1.000 16.20530 C ? A ? 34 CB 1
   ATOM 763 CG . PRO A 35 ? -0.64892 50.80181 -2.70306 1.000 18.33605 C ? A ? 34 CG 1
   ATOM 764 CD . PRO A 35 ? 0.70269 50.61972 -2.14523 1.000 14.00099 C ? A ? 34 CD 1
   ATOM 765 HA . PRO A 35 ? -0.29977 53.25926 -0.91589 1.000 17.70033 H ? A ? 34 HA 1
   ATOM 766 HB2 . PRO A 35 ? -2.19240 51.78389 -2.00191 1.000 19.45901 H ? A ? 34 HB2 1
   ATOM 767 HB3 . PRO A 35 ? -1.17870 52.68363 -2.83154 1.000 19.45901 H ? A ? 34 HB3 1
   ATOM 768 HG2 . PRO A 35 ? -1.20018 50.03881 -2.46889 1.000 22.01590 H ? A ? 34 HG2 1
   ATOM 769 HG3 . PRO A 35 ? -0.59130 50.88591 -3.66769 1.000 22.01590 H ? A ? 34 HG3 1
   ATOM 770 HD2 . PRO A 35 ? 0.85576 49.69566 -1.89310 1.000 16.81384 H ? A ? 34 HD2 1
   ATOM 771 HD3 . PRO A 35 ? 1.38263 50.90916 -2.77357 1.000 16.81384 H ? A ? 34 HD3 1
   ATOM 772 N . TYR A 36 ? -2.16635 52.98945 0.70961 1.000 14.12090 N ? A ? 35 N 1
   ATOM 773 CA . TYR A 36 ? -3.05268 52.88831 1.85391 1.000 15.40275 C ? A ? 35 CA 1
   ATOM 774 C . TYR A 36 ? -4.44365 52.60677 1.36394 1.000 14.81800 C ? A ? 35 C 1
   ATOM 775 O . TYR A 36 ? -5.06967 53.50230 0.76357 1.000 15.83930 O ? A ? 35 O 1
   ATOM 776 CB . TYR A 36 ? -3.04915 54.11707 2.74142 1.000 15.00649 C ? A ? 35 CB 1
   ATOM 777 CG . TYR A 36 ? -4.03954 54.12822 3.84502 1.000 13.83570 C ? A ? 35 CG 1
   ATOM 778 CD1 . TYR A 36 ? -4.19250 53.03920 4.72039 1.000 15.04747 C ? A ? 35 CD1 1
   ATOM 779 CD2 . TYR A 36 ? -4.89543 55.17900 4.03864 1.000 16.34464 C ? A ? 35 CD2 1
   ATOM 780 CE1 . TYR A 36 ? -5.06183 53.04470 5.75108 1.000 15.27636 C ? A ? 35 CE1 1
   ATOM 781 CE2 . TYR A 36 ? -5.82094 55.21538 5.07840 1.000 16.16366 C ? A ? 35 CE2 1
   ATOM 782 CZ . TYR A 36 ? -5.92238 54.09238 5.92088 1.000 14.97156 C ? A ? 35 CZ 1
   ATOM 783 OH . TYR A 36 ? -6.86447 54.11333 6.91669 1.000 16.53445 O ? A ? 35 OH 1
   ATOM 784 H . TYR A 36 ? -2.23789 53.74054 0.29687 1.000 16.95773 H ? A ? 35 H 1
   ATOM 785 HA . TYR A 36 ? -2.73266 52.14758 2.39225 1.000 18.49594 H ? A ? 35 HA 1
   ATOM 786 HB2 . TYR A 36 ? -2.17061 54.19648 3.14486 1.000 18.02043 H ? A ? 35 HB2 1
   ATOM 787 HB3 . TYR A 36 ? -3.23066 54.89170 2.18653 1.000 18.02043 H ? A ? 35 HB3 1
   ATOM 788 HD1 . TYR A 36 ? -3.67117 52.28149 4.58261 1.000 18.06961 H ? A ? 35 HD1 1
   ATOM 789 HD2 . TYR A 36 ? -4.85713 55.89881 3.45101 1.000 19.62621 H ? A ? 35 HD2 1
   ATOM 790 HE1 . TYR A 36 ? -5.07576 52.33244 6.34891 1.000 18.34428 H ? A ? 35 HE1 1
   ATOM 791 HE2 . TYR A 36 ? -6.35825 55.96248 5.21273 1.000 19.40903 H ? A ? 35 HE2 1
   ATOM 792 HH . TYR A 36 ? -7.09306 54.90510 7.07931 1.000 19.85398 H ? A ? 35 HH 1
   ATOM 793 N A ASP A 37 ? -4.97753 51.42116 1.64713 0.578 14.54861 N ? A ? 36 N 1
   ATOM 794 CA A ASP A 37 ? -6.34665 51.01266 1.30640 0.578 14.57802 C ? A ? 36 CA 1
   ATOM 795 C A ASP A 37 ? -7.01036 50.87145 2.65611 0.578 13.79720 C ? A ? 36 C 1
   ATOM 796 O A ASP A 37 ? -6.70751 49.89937 3.37301 0.578 13.86816 O ? A ? 36 O 1
   ATOM 797 CB A ASP A 37 ? -6.35750 49.69045 0.51812 0.578 16.55368 C ? A ? 36 CB 1
   ATOM 798 CG A ASP A 37 ? -7.77061 49.21089 0.14903 0.578 17.07889 C ? A ? 36 CG 1
   ATOM 799 OD1 A ASP A 37 ? -8.56553 49.03000 1.08350 0.578 17.77335 O ? A ? 36 OD1 1
   ATOM 800 OD2 A ASP A 37 ? -8.09659 49.14517 -1.08082 0.578 22.01355 O ? A ? 36 OD2 1
   ATOM 801 H A ASP A 37 ? -4.54622 50.80092 2.05807 0.578 17.47097 H ? A ? 36 H 1
   ATOM 802 HA A ASP A 37 ? -6.80490 51.66115 0.74930 0.578 17.50627 H ? A ? 36 HA 1
   ATOM 803 HB2 A ASP A 37 ? -5.86049 49.81255 -0.30588 0.578 19.87706 H ? A ? 36 HB2 1
   ATOM 804 HB3 A ASP A 37 ? -5.94097 49.00029 1.05764 0.578 19.87706 H ? A ? 36 HB3 1
   ATOM 805 N B ASP A 37 ? -4.92043 51.39201 1.55713 0.422 14.65398 N ? A ? 36 N 1
   ATOM 806 CA B ASP A 37 ? -6.32284 51.06582 1.34934 0.422 14.68237 C ? A ? 36 CA 1
   ATOM 807 C B ASP A 37 ? -6.97825 50.90770 2.70454 0.422 13.80289 C ? A ? 36 C 1
   ATOM 808 O B ASP A 37 ? -6.66566 49.96702 3.45691 0.422 13.83899 O ? A ? 36 O 1
   ATOM 809 CB B ASP A 37 ? -6.46560 49.81861 0.49671 0.422 16.34759 C ? A ? 36 CB 1
   ATOM 810 CG B ASP A 37 ? -7.89021 49.49633 0.21700 0.422 19.78935 C ? A ? 36 CG 1
   ATOM 811 OD1 B ASP A 37 ? -8.48544 50.20858 -0.62525 0.422 18.74479 O ? A ? 36 OD1 1
   ATOM 812 OD2 B ASP A 37 ? -8.41228 48.57025 0.84438 0.422 15.68988 O ? A ? 36 OD2 1
   ATOM 813 H B ASP A 37 ? -4.44316 50.72429 1.81397 0.422 17.59742 H ? A ? 36 H 1
   ATOM 814 HA B ASP A 37 ? -6.76674 51.79395 0.88709 0.422 17.63149 H ? A ? 36 HA 1
   ATOM 815 HB2 B ASP A 37 ? -6.01410 49.95773 -0.35046 0.422 19.62975 H ? A ? 36 HB2 1
   ATOM 816 HB3 B ASP A 37 ? -6.07034 49.06584 0.96361 0.422 19.62975 H ? A ? 36 HB3 1
   ATOM 817 N . ALA A 38 ? -7.89578 51.80858 3.01716 1.000 14.24863 N ? A ? 37 N 1
   ATOM 818 CA . ALA A 38 ? -8.43064 51.85592 4.34860 1.000 14.08241 C ? A ? 37 CA 1
   ATOM 819 C . ALA A 38 ? -9.13012 50.56570 4.69663 1.000 14.64301 C ? A ? 37 C 1
   ATOM 820 O . ALA A 38 ? -8.99903 50.08086 5.81779 1.000 14.20581 O ? A ? 37 O 1
   ATOM 821 CB . ALA A 38 ? -9.36781 53.05540 4.50199 1.000 15.99367 C ? A ? 37 CB 1
   ATOM 822 HA . ALA A 38 ? -7.70267 51.97695 4.97814 1.000 16.91153 H ? A ? 37 HA 1
   ATOM 823 HB1 . ALA A 38 ? -9.71110 53.07399 5.40902 1.000 19.20505 H ? A ? 37 HB1 1
   ATOM 824 HB2 . ALA A 38 ? -8.87210 53.86888 4.31919 1.000 19.20505 H ? A ? 37 HB2 1
   ATOM 825 HB3 . ALA A 38 ? -10.10060 52.96613 3.87274 1.000 19.20505 H ? A ? 37 HB3 1
   ATOM 826 H A ALA A 38 ? -8.19479 52.42441 2.49663 0.578 17.11100 H ? A ? 37 H 1
   ATOM 827 H B ALA A 38 ? -8.21776 52.39502 2.47676 0.422 17.11100 H ? A ? 37 H 1
   ATOM 828 N . ALA A 39 ? -9.89563 49.98929 3.77475 1.000 14.19258 N ? A ? 38 N 1
   ATOM 829 CA . ALA A 39 ? -10.62328 48.75131 4.07078 1.000 14.02739 C ? A ? 38 CA 1
   ATOM 830 C . ALA A 39 ? -9.68930 47.58930 4.32459 1.000 15.05744 C ? A ? 38 C 1
   ATOM 831 O . ALA A 39 ? -9.91125 46.79380 5.25018 1.000 15.13626 O ? A ? 38 O 1
   ATOM 832 CB . ALA A 39 ? -11.57053 48.40486 2.92712 1.000 16.51361 C ? A ? 38 CB 1
   ATOM 833 H . ALA A 39 ? -10.01251 50.28809 2.97685 1.000 17.04374 H ? A ? 38 H 1
   ATOM 834 HA . ALA A 39 ? -11.14539 48.90284 4.87411 1.000 16.84551 H ? A ? 38 HA 1
   ATOM 835 HB1 . ALA A 39 ? -12.03779 47.58247 3.14219 1.000 19.82898 H ? A ? 38 HB1 1
   ATOM 836 HB2 . ALA A 39 ? -12.20764 49.12762 2.81479 1.000 19.82898 H ? A ? 38 HB2 1
   ATOM 837 HB3 . ALA A 39 ? -11.05470 48.28923 2.11383 1.000 19.82898 H ? A ? 38 HB3 1
   ATOM 838 N . GLN A 40 ? -8.62634 47.49398 3.56711 1.000 14.48320 N ? A ? 39 N 1
   ATOM 839 CA . GLN A 40 ? -7.64452 46.42440 3.77229 1.000 15.41794 C ? A ? 39 CA 1
   ATOM 840 C . GLN A 40 ? -7.05904 46.52044 5.14340 1.000 13.51005 C ? A ? 39 C 1
   ATOM 841 O . GLN A 40 ? -6.91802 45.49377 5.84790 1.000 14.86390 O ? A ? 39 O 1
   ATOM 842 CB . GLN A 40 ? -6.56521 46.53142 2.69023 1.000 17.03902 C ? A ? 39 CB 1
   ATOM 843 CG . GLN A 40 ? -5.36755 45.51012 2.74503 1.000 19.74583 C ? A ? 39 CG 1
   ATOM 844 CD . GLN A 40 ? -4.20873 45.84086 1.82382 1.000 22.09599 C ? A ? 39 CD 1
   ATOM 845 OE1 . GLN A 40 ? -3.99029 47.04310 1.43624 1.000 24.78877 O ? A ? 39 OE1 1
   ATOM 846 NE2 . GLN A 40 ? -3.43956 44.81364 1.44728 1.000 19.31969 N ? A ? 39 NE2 1
   ATOM 847 H . GLN A 40 ? -8.43566 48.02951 2.92178 1.000 17.39248 H ? A ? 39 H 1
   ATOM 848 HA . GLN A 40 ? -8.06549 45.55430 3.69110 1.000 18.51417 H ? A ? 39 HA 1
   ATOM 849 HB2 . GLN A 40 ? -6.99578 46.41032 1.82951 1.000 20.45946 H ? A ? 39 HB2 1
   ATOM 850 HB3 . GLN A 40 ? -6.17761 47.41891 2.74534 1.000 20.45946 H ? A ? 39 HB3 1
   ATOM 851 HG2 . GLN A 40 ? -5.02235 45.48788 3.65125 1.000 23.70764 H ? A ? 39 HG2 1
   ATOM 852 HG3 . GLN A 40 ? -5.69814 44.63332 2.49434 1.000 23.70764 H ? A ? 39 HG3 1
   ATOM 853 HE21 . GLN A 40 ? -3.61527 44.01966 1.72712 1.000 23.19627 H ? A ? 39 HE21 1
   ATOM 854 HE22 . GLN A 40 ? -2.76924 44.94708 0.92530 1.000 23.19627 H ? A ? 39 HE22 1
   ATOM 855 N . ILE A 41 ? -6.62860 47.71019 5.54025 1.000 13.86715 N ? A ? 40 N 1
   ATOM 856 CA . ILE A 41 ? -5.99824 47.87522 6.81859 1.000 13.06502 C ? A ? 40 CA 1
   ATOM 857 C . ILE A 41 ? -6.98521 47.66858 7.94424 1.000 13.55479 C ? A ? 40 C 1
   ATOM 858 O . ILE A 41 ? -6.63158 47.03750 8.95431 1.000 13.49121 O ? A ? 40 O 1
   ATOM 859 CB . ILE A 41 ? -5.33107 49.25393 6.85669 1.000 14.45481 C ? A ? 40 CB 1
   ATOM 860 CG1 . ILE A 41 ? -4.12788 49.35007 5.94649 1.000 13.78681 C ? A ? 40 CG1 1
   ATOM 861 CG2 . ILE A 41 ? -4.89210 49.61889 8.27113 1.000 14.07450 C ? A ? 40 CG2 1
   ATOM 862 CD1 . ILE A 41 ? -2.94927 48.42716 6.24589 1.000 14.60424 C ? A ? 40 CD1 1
   ATOM 863 H . ILE A 41 ? -6.69392 48.43395 5.08036 1.000 16.65322 H ? A ? 40 H 1
   ATOM 864 HA . ILE A 41 ? -5.31443 47.19745 6.93662 1.000 15.69067 H ? A ? 40 HA 1
   ATOM 865 HB . ILE A 41 ? -6.00806 49.87348 6.54245 1.000 17.35841 H ? A ? 40 HB 1
   ATOM 866 HG12 . ILE A 41 ? -4.42004 49.14884 5.04369 1.000 16.55681 H ? A ? 40 HG12 1
   ATOM 867 HG13 . ILE A 41 ? -3.79166 50.25882 5.99159 1.000 16.55681 H ? A ? 40 HG13 1
   ATOM 868 HG21 . ILE A 41 ? -4.27627 50.36705 8.22751 1.000 16.90204 H ? A ? 40 HG21 1
   ATOM 869 HG22 . ILE A 41 ? -5.67356 49.86358 8.79107 1.000 16.90204 H ? A ? 40 HG22 1
   ATOM 870 HG23 . ILE A 41 ? -4.45381 48.85271 8.67334 1.000 16.90204 H ? A ? 40 HG23 1
   ATOM 871 HD11 . ILE A 41 ? -2.22202 48.63670 5.63917 1.000 17.53773 H ? A ? 40 HD11 1
   ATOM 872 HD12 . ILE A 41 ? -2.66511 48.56519 7.16300 1.000 17.53773 H ? A ? 40 HD12 1
   ATOM 873 HD13 . ILE A 41 ? -3.22924 47.50684 6.12130 1.000 17.53773 H ? A ? 40 HD13 1
   ATOM 874 N . LYS A 42 ? -8.22280 48.12391 7.80695 1.000 13.30262 N ? A ? 41 N 1
   ATOM 875 CA . LYS A 42 ? -9.22563 47.84133 8.82327 1.000 13.52280 C ? A ? 41 CA 1
   ATOM 876 C . LYS A 42 ? -9.36032 46.34774 9.06229 1.000 13.45481 C ? A ? 41 C 1
   ATOM 877 O . LYS A 42 ? -9.41583 45.90716 10.19713 1.000 14.52582 O ? A ? 41 O 1
   ATOM 878 CB . LYS A 42 ? -10.56811 48.46964 8.40099 1.000 15.02396 C ? A ? 41 CB 1
   ATOM 879 CG . LYS A 42 ? -11.62769 48.28459 9.38759 1.000 15.29006 C ? A ? 41 CG 1
   ATOM 880 CD . LYS A 42 ? -12.94482 48.95292 9.01972 1.000 17.85828 C ? A ? 41 CD 1
   ATOM 881 CE . LYS A 42 ? -14.09443 48.57671 9.98626 1.000 20.08565 C ? A ? 41 CE 1
   ATOM 882 NZ . LYS A 42 ? -15.43980 49.21122 9.55459 1.000 27.69450 N ? A ? 41 NZ 1
   ATOM 883 H . LYS A 42 ? -8.50503 48.59294 7.14365 1.000 15.97579 H ? A ? 41 H 1
   ATOM 884 HA . LYS A 42 ? -8.95679 48.24233 9.66459 1.000 16.24000 H ? A ? 41 HA 1
   ATOM 885 HB2 . LYS A 42 ? -10.44202 49.42302 8.27420 1.000 18.04140 H ? A ? 41 HB2 1
   ATOM 886 HB3 . LYS A 42 ? -10.85870 48.06016 7.57107 1.000 18.04140 H ? A ? 41 HB3 1
   ATOM 887 HG2 . LYS A 42 ? -11.79806 47.33483 9.48676 1.000 18.36071 H ? A ? 41 HG2 1
   ATOM 888 HG3 . LYS A 42 ? -11.33452 48.65911 10.23298 1.000 18.36071 H ? A ? 41 HG3 1
   ATOM 889 HD2 . LYS A 42 ? -12.83084 49.91574 9.04944 1.000 21.44258 H ? A ? 41 HD2 1
   ATOM 890 HD3 . LYS A 42 ? -13.20167 48.67667 8.12607 1.000 21.44258 H ? A ? 41 HD3 1
   ATOM 891 HE2 . LYS A 42 ? -14.20227 47.61276 9.99535 1.000 24.11542 H ? A ? 41 HE2 1
   ATOM 892 HE3 . LYS A 42 ? -13.88047 48.89502 10.87721 1.000 24.11542 H ? A ? 41 HE3 1
   ATOM 893 HZ1 . LYS A 42 ? -16.00035 48.57763 9.27809 1.000 33.24605 H ? A ? 41 HZ1 1
   ATOM 894 HZ2 . LYS A 42 ? -15.80716 49.64237 10.24107 1.000 33.24605 H ? A ? 41 HZ2 1
   ATOM 895 HZ3 . LYS A 42 ? -15.30512 49.78777 8.89010 1.000 33.24605 H ? A ? 41 HZ3 1
   ATOM 896 N . ALA A 43 ? -9.44675 45.59375 7.97132 1.000 13.42587 N ? A ? 42 N 1
   ATOM 897 CA . ALA A 43 ? -9.59969 44.14195 8.11810 1.000 14.92422 C ? A ? 42 CA 1
   ATOM 898 C . ALA A 43 ? -8.36775 43.52881 8.71902 1.000 14.85909 C ? A ? 42 C 1
   ATOM 899 O . ALA A 43 ? -8.46306 42.60394 9.56958 1.000 14.39217 O ? A ? 42 O 1
   ATOM 900 CB . ALA A 43 ? -9.93096 43.50995 6.75603 1.000 16.40242 C ? A ? 42 CB 1
   ATOM 901 H . ALA A 43 ? -9.42103 45.88241 7.16162 1.000 16.12368 H ? A ? 42 H 1
   ATOM 902 HA . ALA A 43 ? -10.34157 43.95615 8.71474 1.000 17.92171 H ? A ? 42 HA 1
   ATOM 903 HB1 . ALA A 43 ? -10.04046 42.55293 6.87020 1.000 19.69554 H ? A ? 42 HB1 1
   ATOM 904 HB2 . ALA A 43 ? -10.75307 43.89905 6.41892 1.000 19.69554 H ? A ? 42 HB2 1
   ATOM 905 HB3 . ALA A 43 ? -9.20348 43.68846 6.13975 1.000 19.69554 H ? A ? 42 HB3 1
   ATOM 906 N . ASN A 44 ? -7.18869 43.97685 8.34871 1.000 13.71297 N ? A ? 43 N 1
   ATOM 907 CA . ASN A 44 ? -5.99043 43.39211 8.89177 1.000 14.26114 C ? A ? 43 CA 1
   ATOM 908 C . ASN A 44 ? -5.87039 43.68688 10.37632 1.000 13.85865 C ? A ? 43 C 1
   ATOM 909 O . ASN A 44 ? -5.40820 42.82661 11.15729 1.000 13.81249 O ? A ? 43 O 1
   ATOM 910 CB . ASN A 44 ? -4.77263 43.92442 8.14964 1.000 13.78093 C ? A ? 43 CB 1
   ATOM 911 CG . ASN A 44 ? -3.47800 43.25458 8.68386 1.000 14.02254 C ? A ? 43 CG 1
   ATOM 912 OD1 . ASN A 44 ? -3.32036 41.99984 8.49000 1.000 15.44596 O ? A ? 43 OD1 1
   ATOM 913 ND2 . ASN A 44 ? -2.62497 43.94406 9.31182 1.000 13.90281 N ? A ? 43 ND2 1
   ATOM 914 H . ASN A 44 ? -7.05648 44.61496 7.78752 1.000 16.46820 H ? A ? 43 H 1
   ATOM 915 HA . ASN A 44 ? -6.02420 42.43030 8.77057 1.000 17.12601 H ? A ? 43 HA 1
   ATOM 916 HB2 . ASN A 44 ? -4.85623 43.72661 7.20371 1.000 16.54976 H ? A ? 43 HB2 1
   ATOM 917 HB3 . ASN A 44 ? -4.70361 44.88267 8.28336 1.000 16.54976 H ? A ? 43 HB3 1
   ATOM 918 HD21 . ASN A 44 ? -1.90734 43.57435 9.60834 1.000 16.69602 H ? A ? 43 HD21 1
   ATOM 919 HD22 . ASN A 44 ? -2.76216 44.78291 9.44260 1.000 16.69602 H ? A ? 43 HD22 1
   ATOM 920 N . VAL A 45 ? -6.16094 44.93308 10.79251 1.000 13.65944 N ? A ? 44 N 1
   ATOM 921 CA . VAL A 45 ? -6.09614 45.25699 12.18802 1.000 13.56573 C ? A ? 44 CA 1
   ATOM 922 C . VAL A 45 ? -7.09492 44.47426 13.00398 1.000 14.45593 C ? A ? 44 C 1
   ATOM 923 O . VAL A 45 ? -6.81598 44.13591 14.15412 1.000 14.72954 O ? A ? 44 O 1
   ATOM 924 CB . VAL A 45 ? -6.12916 46.79707 12.37478 1.000 13.56258 C ? A ? 44 CB 1
   ATOM 925 CG1 . VAL A 45 ? -6.16144 47.11563 13.88952 1.000 15.18491 C ? A ? 44 CG1 1
   ATOM 926 CG2 . VAL A 45 ? -4.94182 47.41807 11.71810 1.000 14.32396 C ? A ? 44 CG2 1
   ATOM 927 H . VAL A 45 ? -6.39224 45.58404 10.28030 1.000 16.40397 H ? A ? 44 H 1
   ATOM 928 HA . VAL A 45 ? -5.24155 44.96948 12.54567 1.000 16.29151 H ? A ? 44 HA 1
   ATOM 929 HB . VAL A 45 ? -6.92143 47.17253 11.95976 1.000 16.28774 H ? A ? 44 HB 1
   ATOM 930 HG11 . VAL A 45 ? -6.05055 48.07124 14.01369 1.000 18.23454 H ? A ? 44 HG11 1
   ATOM 931 HG12 . VAL A 45 ? -7.01432 46.83150 14.25388 1.000 18.23454 H ? A ? 44 HG12 1
   ATOM 932 HG13 . VAL A 45 ? -5.43920 46.63909 14.32790 1.000 18.23454 H ? A ? 44 HG13 1
   ATOM 933 HG21 . VAL A 45 ? -4.97946 48.37944 11.84157 1.000 17.20140 H ? A ? 44 HG21 1
   ATOM 934 HG22 . VAL A 45 ? -4.13518 47.06379 12.12396 1.000 17.20140 H ? A ? 44 HG22 1
   ATOM 935 HG23 . VAL A 45 ? -4.95696 47.20525 10.77186 1.000 17.20140 H ? A ? 44 HG23 1
   ATOM 936 N A GLU A 46 ? -8.22592 44.16768 12.44159 0.533 13.83076 N ? A ? 45 N 1
   ATOM 937 CA A GLU A 46 ? -9.19808 43.32747 13.12886 0.533 14.33651 C ? A ? 45 CA 1
   ATOM 938 C A GLU A 46 ? -8.63807 41.90784 13.35864 0.533 15.09737 C ? A ? 45 C 1
   ATOM 939 O A GLU A 46 ? -8.94564 41.29126 14.37352 0.533 15.39558 O ? A ? 45 O 1
   ATOM 940 CB A GLU A 46 ? -10.46855 43.21236 12.31520 0.533 15.92157 C ? A ? 45 CB 1
   ATOM 941 CG A GLU A 46 ? -11.54445 42.46535 13.04478 0.533 24.76187 C ? A ? 45 CG 1
   ATOM 942 CD A GLU A 46 ? -12.10113 43.22265 14.24967 0.533 25.04549 C ? A ? 45 CD 1
   ATOM 943 OE1 A GLU A 46 ? -12.40928 44.42096 14.13325 0.533 29.00509 O ? A ? 45 OE1 1
   ATOM 944 OE2 A GLU A 46 ? -12.30745 42.57625 15.28411 0.533 35.10582 O ? A ? 45 OE2 1
   ATOM 945 H A GLU A 46 ? -8.47097 44.42674 11.65901 0.533 16.60955 H ? A ? 45 H 1
   ATOM 946 HA A GLU A 46 ? -9.40155 43.74330 13.98126 0.533 17.21645 H ? A ? 45 HA 1
   ATOM 947 HB2 A GLU A 46 ? -10.79980 44.10202 12.11600 0.533 19.11852 H ? A ? 45 HB2 1
   ATOM 948 HB3 A GLU A 46 ? -10.27617 42.73781 11.49138 0.533 19.11852 H ? A ? 45 HB3 1
   ATOM 949 HG2 A GLU A 46 ? -12.27914 42.29799 12.43395 0.533 29.72689 H ? A ? 45 HG2 1
   ATOM 950 HG3 A GLU A 46 ? -11.18078 41.62486 13.36448 0.533 29.72689 H ? A ? 45 HG3 1
   ATOM 951 N B GLU A 46 ? -8.25501 44.18486 12.47855 0.467 13.85554 N ? A ? 45 N 1
   ATOM 952 CA B GLU A 46 ? -9.17944 43.30339 13.19121 0.467 14.39244 C ? A ? 45 CA 1
   ATOM 953 C B GLU A 46 ? -8.50404 41.93411 13.48587 0.467 15.15632 C ? A ? 45 C 1
   ATOM 954 O B GLU A 46 ? -8.56086 41.40621 14.61104 0.467 12.92855 O ? A ? 45 O 1
   ATOM 955 CB B GLU A 46 ? -10.43505 43.14291 12.34119 0.467 15.91676 C ? A ? 45 CB 1
   ATOM 956 CG B GLU A 46 ? -11.46273 44.28287 12.46751 0.467 13.19207 C ? A ? 45 CG 1
   ATOM 957 CD B GLU A 46 ? -12.43826 44.27547 11.28713 0.467 21.19330 C ? A ? 45 CD 1
   ATOM 958 OE1 B GLU A 46 ? -12.44660 43.29709 10.49168 0.467 25.89500 O ? A ? 45 OE1 1
   ATOM 959 OE2 B GLU A 46 ? -13.22693 45.23972 11.17106 0.467 21.39912 O ? A ? 45 OE2 1
   ATOM 960 H B GLU A 46 ? -8.54159 44.47442 11.72117 0.467 16.63930 H ? A ? 45 H 1
   ATOM 961 HA B GLU A 46 ? -9.43699 43.68563 14.04470 0.467 17.28357 H ? A ? 45 HA 1
   ATOM 962 HB2 B GLU A 46 ? -10.16977 43.09362 11.40947 0.467 19.11275 H ? A ? 45 HB2 1
   ATOM 963 HB3 B GLU A 46 ? -10.87943 42.32156 12.60351 0.467 19.11275 H ? A ? 45 HB3 1
   ATOM 964 HG2 B GLU A 46 ? -11.97031 44.17067 13.28646 0.467 15.84313 H ? A ? 45 HG2 1
   ATOM 965 HG3 B GLU A 46 ? -10.99976 45.13519 12.47829 0.467 15.84313 H ? A ? 45 HG3 1
   ATOM 966 N A VAL A 47 ? -7.83665 41.36968 12.40735 0.533 14.50677 N ? A ? 46 N 1
   ATOM 967 CA A VAL A 47 ? -7.13212 40.09319 12.62219 0.533 14.37519 C ? A ? 46 CA 1
   ATOM 968 C A VAL A 47 ? -6.15643 40.26364 13.76001 0.533 15.09601 C ? A ? 46 C 1
   ATOM 969 O A VAL A 47 ? -6.14229 39.41845 14.68401 0.533 13.87655 O ? A ? 46 O 1
   ATOM 970 CB A VAL A 47 ? -6.37171 39.60630 11.37169 0.533 14.06950 C ? A ? 46 CB 1
   ATOM 971 CG1 A VAL A 47 ? -5.39089 38.41736 11.76551 0.533 14.34782 C ? A ? 46 CG1 1
   ATOM 972 CG2 A VAL A 47 ? -7.32614 39.18709 10.39517 0.533 15.89151 C ? A ? 46 CG2 1
   ATOM 973 H A VAL A 47 ? -7.68890 41.72445 11.63799 0.533 17.42077 H ? A ? 46 H 1
   ATOM 974 HA A VAL A 47 ? -7.80679 39.42716 12.82745 0.533 17.26287 H ? A ? 46 HA 1
   ATOM 975 HB A VAL A 47 ? -5.83132 40.31927 10.99679 0.533 16.89604 H ? A ? 46 HB 1
   ATOM 976 HG11 A VAL A 47 ? -5.14759 37.92973 10.96306 0.533 17.23002 H ? A ? 46 HG11 1
   ATOM 977 HG12 A VAL A 47 ? -4.59655 38.78777 12.18110 0.533 17.23002 H ? A ? 46 HG12 1
   ATOM 978 HG13 A VAL A 47 ? -5.84441 37.82651 12.38690 0.533 17.23002 H ? A ? 46 HG13 1
   ATOM 979 HG21 A VAL A 47 ? -6.85762 38.93011 9.58563 0.533 19.08246 H ? A ? 46 HG21 1
   ATOM 980 HG22 A VAL A 47 ? -7.82332 38.43071 10.74388 0.533 19.08246 H ? A ? 46 HG22 1
   ATOM 981 HG23 A VAL A 47 ? -7.93053 39.92241 10.20830 0.533 19.08246 H ? A ? 46 HG23 1
   ATOM 982 N B VAL A 47 ? -7.83261 41.35604 12.49648 0.467 14.44628 N ? A ? 46 N 1
   ATOM 983 CA B VAL A 47 ? -7.16750 40.06860 12.71423 0.467 14.33771 C ? A ? 46 CA 1
   ATOM 984 C B VAL A 47 ? -6.04489 40.24523 13.76775 0.467 15.05457 C ? A ? 46 C 1
   ATOM 985 O B VAL A 47 ? -5.89104 39.43511 14.71922 0.467 13.16925 O ? A ? 46 O 1
   ATOM 986 CB B VAL A 47 ? -6.70740 39.54085 11.33156 0.467 13.76564 C ? A ? 46 CB 1
   ATOM 987 CG1 B VAL A 47 ? -5.94532 38.26189 11.52052 0.467 14.09917 C ? A ? 46 CG1 1
   ATOM 988 CG2 B VAL A 47 ? -7.83766 39.24900 10.35029 0.467 17.22813 C ? A ? 46 CG2 1
   ATOM 989 H B VAL A 47 ? -7.74585 41.67810 11.70380 0.467 17.34818 H ? A ? 46 H 1
   ATOM 990 HA B VAL A 47 ? -7.76172 39.39843 13.08663 0.467 17.21790 H ? A ? 46 HA 1
   ATOM 991 HB B VAL A 47 ? -6.16892 40.24981 10.94643 0.467 16.53142 H ? A ? 46 HB 1
   ATOM 992 HG11 B VAL A 47 ? -5.80414 37.84757 10.65489 0.467 16.93165 H ? A ? 46 HG11 1
   ATOM 993 HG12 B VAL A 47 ? -5.09132 38.46143 11.93497 0.467 16.93165 H ? A ? 46 HG12 1
   ATOM 994 HG13 B VAL A 47 ? -6.45942 37.66929 12.09098 0.467 16.93165 H ? A ? 46 HG13 1
   ATOM 995 HG21 B VAL A 47 ? -7.46947 38.81619 9.56416 0.467 20.68640 H ? A ? 46 HG21 1
   ATOM 996 HG22 B VAL A 47 ? -8.48373 38.66499 10.77738 0.467 20.68640 H ? A ? 46 HG22 1
   ATOM 997 HG23 B VAL A 47 ? -8.26194 40.08452 10.09972 0.467 20.68640 H ? A ? 46 HG23 1
   ATOM 998 N . LEU A 48 ? -5.31330 41.35798 13.70444 1.000 14.33826 N ? A ? 47 N 1
   ATOM 999 CA . LEU A 48 ? -4.31488 41.60323 14.70790 1.000 14.31949 C ? A ? 47 CA 1
   ATOM 1000 C . LEU A 48 ? -4.92272 41.74881 16.08697 1.000 14.17039 C ? A ? 47 C 1
   ATOM 1001 O . LEU A 48 ? -4.33988 41.30349 17.06988 1.000 14.82580 O ? A ? 47 O 1
   ATOM 1002 CB . LEU A 48 ? -3.51103 42.82361 14.28031 1.000 14.38854 C ? A ? 47 CB 1
   ATOM 1003 CG . LEU A 48 ? -2.45943 43.27323 15.24138 1.000 16.02714 C ? A ? 47 CG 1
   ATOM 1004 CD1 . LEU A 48 ? -1.35722 42.14875 15.47687 1.000 16.02489 C ? A ? 47 CD1 1
   ATOM 1005 CD2 . LEU A 48 ? -1.77799 44.54393 14.77368 1.000 15.77346 C ? A ? 47 CD2 1
   ATOM 1006 HA . LEU A 48 ? -3.70695 40.85060 14.77779 1.000 17.19603 H ? A ? 47 HA 1
   ATOM 1007 HB2 . LEU A 48 ? -3.06761 42.61723 13.44264 1.000 17.27889 H ? A ? 47 HB2 1
   ATOM 1008 HB3 . LEU A 48 ? -4.12525 43.56415 14.15690 1.000 17.27889 H ? A ? 47 HB3 1
   ATOM 1009 HG . LEU A 48 ? -2.90684 43.45194 16.08327 1.000 19.24521 H ? A ? 47 HG 1
   ATOM 1010 HD11 . LEU A 48 ? -0.65484 42.50825 16.04107 1.000 19.24251 H ? A ? 47 HD11 1
   ATOM 1011 HD12 . LEU A 48 ? -1.77162 41.38614 15.90999 1.000 19.24251 H ? A ? 47 HD12 1
   ATOM 1012 HD13 . LEU A 48 ? -0.98931 41.88273 14.61968 1.000 19.24251 H ? A ? 47 HD13 1
   ATOM 1013 HD21 . LEU A 48 ? -1.12088 44.81169 15.43504 1.000 18.94079 H ? A ? 47 HD21 1
   ATOM 1014 HD22 . LEU A 48 ? -1.34192 44.37408 13.92404 1.000 18.94079 H ? A ? 47 HD22 1
   ATOM 1015 HD23 . LEU A 48 ? -2.44528 45.24021 14.66964 1.000 18.94079 H ? A ? 47 HD23 1
   ATOM 1016 H A LEU A 48 ? -5.32890 41.95078 13.08158 0.533 17.21855 H ? A ? 47 H 1
   ATOM 1017 H B LEU A 48 ? -5.38280 41.96566 13.09988 0.467 17.21855 H ? A ? 47 H 1
   ATOM 1018 N . LYS A 49 ? -6.06138 42.37365 16.18868 1.000 14.57750 N ? A ? 48 N 1
   ATOM 1019 CA . LYS A 49 ? -6.72553 42.49372 17.47459 1.000 13.96985 C ? A ? 48 CA 1
   ATOM 1020 C . LYS A 49 ? -7.06007 41.12939 18.05460 1.000 13.36686 C ? A ? 48 C 1
   ATOM 1021 O . LYS A 49 ? -6.81843 40.87783 19.24165 1.000 14.15075 O ? A ? 48 O 1
   ATOM 1022 CB . LYS A 49 ? -7.97901 43.35175 17.32813 1.000 16.73082 C ? A ? 48 CB 1
   ATOM 1023 CG . LYS A 49 ? -8.92045 43.36125 18.54142 1.000 17.17141 C ? A ? 48 CG 1
   ATOM 1024 CD . LYS A 49 ? -10.22967 44.10823 18.27713 1.000 22.97642 C ? A ? 48 CD 1
   ATOM 1025 CE . LYS A 49 ? -11.10681 44.27429 19.53441 1.000 39.63198 C ? A ? 48 CE 1
   ATOM 1026 NZ . LYS A 49 ? -12.59760 44.41189 19.21417 1.000 57.65957 N ? A ? 48 NZ 1
   ATOM 1027 H . LYS A 49 ? -6.48066 42.74159 15.53414 1.000 17.50564 H ? A ? 48 H 1
   ATOM 1028 HA . LYS A 49 ? -6.12861 42.93646 18.09794 1.000 16.77647 H ? A ? 48 HA 1
   ATOM 1029 HB2 . LYS A 49 ? -7.70417 44.26830 17.16906 1.000 20.08963 H ? A ? 48 HB2 1
   ATOM 1030 HB3 . LYS A 49 ? -8.48759 43.02173 16.57094 1.000 20.08963 H ? A ? 48 HB3 1
   ATOM 1031 HG2 . LYS A 49 ? -9.14108 42.44645 18.77672 1.000 20.61834 H ? A ? 48 HG2 1
   ATOM 1032 HG3 . LYS A 49 ? -8.47339 43.79628 19.28424 1.000 20.61834 H ? A ? 48 HG3 1
   ATOM 1033 HD2 . LYS A 49 ? -10.02296 44.99424 17.94074 1.000 27.58435 H ? A ? 48 HD2 1
   ATOM 1034 HD3 . LYS A 49 ? -10.74475 43.61543 17.61930 1.000 27.58435 H ? A ? 48 HD3 1
   ATOM 1035 HE2 . LYS A 49 ? -10.99444 43.49559 20.10177 1.000 47.57102 H ? A ? 48 HE2 1
   ATOM 1036 HE3 . LYS A 49 ? -10.82887 45.07336 20.00889 1.000 47.57102 H ? A ? 48 HE3 1
   ATOM 1037 HZ1 . LYS A 49 ? -13.05692 44.56181 19.96159 1.000 69.20413 H ? A ? 48 HZ1 1
   ATOM 1038 HZ2 . LYS A 49 ? -12.72721 45.09145 18.65427 1.000 69.20413 H ? A ? 48 HZ2 1
   ATOM 1039 HZ3 . LYS A 49 ? -12.89788 43.66446 18.83563 1.000 69.20413 H ? A ? 48 HZ3 1
   ATOM 1040 N . THR A 50 ? -7.65346 40.25939 17.27414 1.000 13.18190 N ? A ? 49 N 1
   ATOM 1041 CA . THR A 50 ? -7.90659 38.89685 17.74388 1.000 13.28615 C ? A ? 49 CA 1
   ATOM 1042 C . THR A 50 ? -6.63219 38.20771 18.17115 1.000 13.99542 C ? A ? 49 C 1
   ATOM 1043 O . THR A 50 ? -6.58286 37.61462 19.26170 1.000 13.79675 O ? A ? 49 O 1
   ATOM 1044 CB . THR A 50 ? -8.58675 38.10314 16.62100 1.000 14.63752 C ? A ? 49 CB 1
   ATOM 1045 OG1 . THR A 50 ? -9.88943 38.67357 16.35108 1.000 17.43814 O ? A ? 49 OG1 1
   ATOM 1046 CG2 . THR A 50 ? -8.78342 36.63934 17.01340 1.000 16.40855 C ? A ? 49 CG2 1
   ATOM 1047 H . THR A 50 ? -7.92209 40.41882 16.47287 1.000 15.83092 H ? A ? 49 H 1
   ATOM 1048 HA . THR A 50 ? -8.49362 38.93284 18.51524 1.000 15.95603 H ? A ? 49 HA 1
   ATOM 1049 HB . THR A 50 ? -8.02458 38.13957 15.83136 1.000 17.57767 H ? A ? 49 HB 1
   ATOM 1050 HG1 . THR A 50 ? -9.80536 39.45770 16.06183 1.000 20.93841 H ? A ? 49 HG1 1
   ATOM 1051 HG21 . THR A 50 ? -9.44267 36.22625 16.43404 1.000 19.70290 H ? A ? 49 HG21 1
   ATOM 1052 HG22 . THR A 50 ? -7.94539 36.15804 16.93003 1.000 19.70290 H ? A ? 49 HG22 1
   ATOM 1053 HG23 . THR A 50 ? -9.09030 36.58038 17.93168 1.000 19.70290 H ? A ? 49 HG23 1
   ATOM 1054 N . LEU A 51 ? -5.61655 38.24060 17.34884 1.000 13.28173 N ? A ? 50 N 1
   ATOM 1055 CA . LEU A 51 ? -4.36596 37.57095 17.65807 1.000 13.53236 C ? A ? 50 CA 1
   ATOM 1056 C . LEU A 51 ? -3.71212 38.10053 18.88201 1.000 13.99371 C ? A ? 50 C 1
   ATOM 1057 O . LEU A 51 ? -3.09890 37.32849 19.65607 1.000 15.04281 O ? A ? 50 O 1
   ATOM 1058 CB . LEU A 51 ? -3.41843 37.68810 16.46639 1.000 14.44001 C ? A ? 50 CB 1
   ATOM 1059 CG . LEU A 51 ? -3.84296 36.96792 15.23395 1.000 14.36467 C ? A ? 50 CG 1
   ATOM 1060 CD1 . LEU A 51 ? -2.94551 37.29462 14.00877 1.000 16.16705 C ? A ? 50 CD1 1
   ATOM 1061 CD2 . LEU A 51 ? -3.84240 35.42617 15.48183 1.000 17.31481 C ? A ? 50 CD2 1
   ATOM 1062 H . LEU A 51 ? -5.61622 38.64753 16.59121 1.000 15.95072 H ? A ? 50 H 1
   ATOM 1063 HA . LEU A 51 ? -4.56287 36.63579 17.82423 1.000 16.25148 H ? A ? 50 HA 1
   ATOM 1064 HB2 . LEU A 51 ? -3.33247 38.62677 16.23745 1.000 17.34065 H ? A ? 50 HB2 1
   ATOM 1065 HB3 . LEU A 51 ? -2.55564 37.32997 16.72764 1.000 17.34065 H ? A ? 50 HB3 1
   ATOM 1066 HG . LEU A 51 ? -4.74066 37.26696 15.02036 1.000 17.25025 H ? A ? 50 HG 1
   ATOM 1067 HD11 . LEU A 51 ? -3.28164 36.81648 13.23463 1.000 19.41311 H ? A ? 50 HD11 1
   ATOM 1068 HD12 . LEU A 51 ? -2.97134 38.25022 13.84424 1.000 19.41311 H ? A ? 50 HD12 1
   ATOM 1069 HD13 . LEU A 51 ? -2.03620 37.01641 14.20024 1.000 19.41311 H ? A ? 50 HD13 1
   ATOM 1070 HD21 . LEU A 51 ? -3.99561 34.97077 14.63918 1.000 20.79042 H ? A ? 50 HD21 1
   ATOM 1071 HD22 . LEU A 51 ? -2.98253 35.16537 15.84721 1.000 20.79042 H ? A ? 50 HD22 1
   ATOM 1072 HD23 . LEU A 51 ? -4.54873 35.20697 16.10948 1.000 20.79042 H ? A ? 50 HD23 1
   ATOM 1073 N . SER A 52 ? -3.78991 39.43881 19.10881 1.000 13.24406 N ? A ? 51 N 1
   ATOM 1074 CA . SER A 52 ? -3.10195 40.08811 20.17886 1.000 13.89472 C ? A ? 51 CA 1
   ATOM 1075 C . SER A 52 ? -3.62878 39.76766 21.56110 1.000 13.92592 C ? A ? 51 C 1
   ATOM 1076 O . SER A 52 ? -2.96444 40.06184 22.56031 1.000 13.98906 O ? A ? 51 O 1
   ATOM 1077 CB . SER A 52 ? -3.09083 41.58162 19.98569 1.000 13.70983 C ? A ? 51 CB 1
   ATOM 1078 OG . SER A 52 ? -2.18885 41.95273 18.95591 1.000 18.19889 O ? A ? 51 OG 1
   ATOM 1079 H . SER A 52 ? -4.25422 39.97985 18.62788 1.000 15.90551 H ? A ? 51 H 1
   ATOM 1080 HA . SER A 52 ? -2.18631 39.76977 20.14500 1.000 16.68631 H ? A ? 51 HA 1
   ATOM 1081 HB2 . SER A 52 ? -3.98327 41.87506 19.74416 1.000 16.46444 H ? A ? 51 HB2 1
   ATOM 1082 HB3 . SER A 52 ? -2.81527 42.00471 20.81392 1.000 16.46444 H ? A ? 51 HB3 1
   ATOM 1083 HG . SER A 52 ? -1.40342 41.75183 19.17576 1.000 21.85131 H ? A ? 51 HG 1
   ATOM 1084 N . ALA A 53 ? -4.80753 39.17105 21.61609 1.000 12.17893 N ? A ? 52 N 1
   ATOM 1085 CA . ALA A 53 ? -5.35874 38.70308 22.86915 1.000 14.18436 C ? A ? 52 CA 1
   ATOM 1086 C . ALA A 53 ? -4.91676 37.27069 23.20324 1.000 14.46107 C ? A ? 52 C 1
   ATOM 1087 O . ALA A 53 ? -5.19102 36.87386 24.35028 1.000 17.83540 O ? A ? 52 O 1
   ATOM 1088 CB . ALA A 53 ? -6.89793 38.76650 22.79311 1.000 14.84187 C ? A ? 52 CB 1
   ATOM 1089 H . ALA A 53 ? -5.31016 39.02535 20.93365 1.000 14.62735 H ? A ? 52 H 1
   ATOM 1090 HA . ALA A 53 ? -5.06595 39.27704 23.59423 1.000 17.03387 H ? A ? 52 HA 1
   ATOM 1091 HB1 . ALA A 53 ? -7.26852 38.46482 23.63724 1.000 17.82288 H ? A ? 52 HB1 1
   ATOM 1092 HB2 . ALA A 53 ? -7.16819 39.68217 22.62161 1.000 17.82288 H ? A ? 52 HB2 1
   ATOM 1093 HB3 . ALA A 53 ? -7.20254 38.19147 22.07377 1.000 17.82288 H ? A ? 52 HB3 1
   ATOM 1094 N . LEU A 54 ? -4.34240 36.55195 22.31343 1.000 13.09921 N ? A ? 53 N 1
   ATOM 1095 CA . LEU A 54 ? -4.13611 35.10858 22.47410 1.000 12.61910 C ? A ? 53 CA 1
   ATOM 1096 C . LEU A 54 ? -2.89309 34.66598 23.23026 1.000 12.70440 C ? A ? 53 C 1
   ATOM 1097 O . LEU A 54 ? -2.98455 33.64149 23.93106 1.000 12.56447 O ? A ? 53 O 1
   ATOM 1098 CB . LEU A 54 ? -4.14009 34.38252 21.14064 1.000 13.36152 C ? A ? 53 CB 1
   ATOM 1099 CG . LEU A 54 ? -5.43296 34.52047 20.34797 1.000 14.60979 C ? A ? 53 CG 1
   ATOM 1100 CD1 . LEU A 54 ? -5.39484 33.81888 19.15002 1.000 15.43428 C ? A ? 53 CD1 1
   ATOM 1101 CD2 . LEU A 54 ? -6.66971 34.04364 21.06025 1.000 16.28063 C ? A ? 53 CD2 1
   ATOM 1102 H . LEU A 54 ? -4.04107 36.85975 21.56908 1.000 15.73170 H ? A ? 53 H 1
   ATOM 1103 HA . LEU A 54 ? -4.88855 34.85629 23.03185 1.000 15.15556 H ? A ? 53 HA 1
   ATOM 1104 HB2 . LEU A 54 ? -3.42178 34.73808 20.59428 1.000 16.04646 H ? A ? 53 HB2 1
   ATOM 1105 HB3 . LEU A 54 ? -3.99582 33.43736 21.30422 1.000 16.04646 H ? A ? 53 HB3 1
   ATOM 1106 HG . LEU A 54 ? -5.49919 35.47756 20.20485 1.000 17.54439 H ? A ? 53 HG 1
   ATOM 1107 HD11 . LEU A 54 ? -6.23782 33.94056 18.68582 1.000 18.53377 H ? A ? 53 HD11 1
   ATOM 1108 HD12 . LEU A 54 ? -4.66637 34.15950 18.60760 1.000 18.53377 H ? A ? 53 HD12 1
   ATOM 1109 HD13 . LEU A 54 ? -5.25432 32.87799 19.33941 1.000 18.53377 H ? A ? 53 HD13 1
   ATOM 1110 HD21 . LEU A 54 ? -7.41254 34.04196 20.43648 1.000 19.54940 H ? A ? 53 HD21 1
   ATOM 1111 HD22 . LEU A 54 ? -6.51575 33.14586 21.39371 1.000 19.54940 H ? A ? 53 HD22 1
   ATOM 1112 HD23 . LEU A 54 ? -6.85949 34.64288 21.79903 1.000 19.54940 H ? A ? 53 HD23 1
   ATOM 1113 N . PRO A 55 ? -1.72890 35.33561 23.17525 1.000 11.76643 N ? A ? 54 N 1
   ATOM 1114 CA . PRO A 55 ? -0.52973 34.69171 23.78244 1.000 12.49303 C ? A ? 54 CA 1
   ATOM 1115 C . PRO A 55 ? -0.65591 34.53948 25.25734 1.000 13.21775 C ? A ? 54 C 1
   ATOM 1116 O . PRO A 55 ? -0.06175 33.60355 25.83369 1.000 13.11146 O ? A ? 54 O 1
   ATOM 1117 CB . PRO A 55 ? 0.58614 35.65303 23.37908 1.000 13.01043 C ? A ? 54 CB 1
   ATOM 1118 CG . PRO A 55 ? 0.14014 36.27179 22.10303 1.000 13.64142 C ? A ? 54 CG 1
   ATOM 1119 CD . PRO A 55 ? -1.35629 36.51847 22.32597 1.000 12.34280 C ? A ? 54 CD 1
   ATOM 1120 HA . PRO A 55 ? -0.35099 33.82196 23.39194 1.000 15.00428 H ? A ? 54 HA 1
   ATOM 1121 HB2 . PRO A 55 ? 0.70244 36.32698 24.06695 1.000 15.62516 H ? A ? 54 HB2 1
   ATOM 1122 HB3 . PRO A 55 ? 1.41269 35.16117 23.25340 1.000 15.62516 H ? A ? 54 HB3 1
   ATOM 1123 HG2 . PRO A 55 ? 0.61464 37.10363 21.94875 1.000 16.38234 H ? A ? 54 HG2 1
   ATOM 1124 HG3 . PRO A 55 ? 0.28985 35.66236 21.36339 1.000 16.38234 H ? A ? 54 HG3 1
   ATOM 1125 HD2 . PRO A 55 ? -1.50967 37.35260 22.79671 1.000 14.82400 H ? A ? 54 HD2 1
   ATOM 1126 HD3 . PRO A 55 ? -1.84260 36.51690 21.48668 1.000 14.82400 H ? A ? 54 HD3 1
   ATOM 1127 N . TRP A 56 ? -1.35149 35.45075 25.94652 1.000 13.03518 N ? A ? 55 N 1
   ATOM 1128 CA . TRP A 56 ? -1.11095 35.60920 27.36147 1.000 14.14342 C ? A ? 55 CA 1
   ATOM 1129 C . TRP A 56 ? -1.59418 34.39461 28.18206 1.000 15.22331 C ? A ? 55 C 1
   ATOM 1130 O . TRP A 56 ? -0.97176 34.04281 29.21751 1.000 15.53617 O ? A ? 55 O 1
   ATOM 1131 CB . TRP A 56 ? -1.66152 36.99795 27.86498 1.000 15.34718 C ? A ? 55 CB 1
   ATOM 1132 CG . TRP A 56 ? -1.41235 38.01980 26.79848 1.000 13.65375 C ? A ? 55 CG 1
   ATOM 1133 CD1 . TRP A 56 ? -2.35911 38.68840 26.07113 1.000 14.23886 C ? A ? 55 CD1 1
   ATOM 1134 CD2 . TRP A 56 ? -0.14602 38.35683 26.19413 1.000 13.09733 C ? A ? 55 CD2 1
   ATOM 1135 NE1 . TRP A 56 ? -1.77519 39.35967 25.06411 1.000 14.56050 N ? A ? 55 NE1 1
   ATOM 1136 CE2 . TRP A 56 ? -0.39760 39.17571 25.10747 1.000 14.21867 C ? A ? 55 CE2 1
   ATOM 1137 CE3 . TRP A 56 ? 1.18593 37.97068 26.45575 1.000 14.16807 C ? A ? 55 CE3 1
   ATOM 1138 CZ2 . TRP A 56 ? 0.59653 39.63474 24.29986 1.000 15.91172 C ? A ? 55 CZ2 1
   ATOM 1139 CZ3 . TRP A 56 ? 2.18396 38.40088 25.65328 1.000 14.98697 C ? A ? 55 CZ3 1
   ATOM 1140 CH2 . TRP A 56 ? 1.87477 39.23465 24.55557 1.000 15.60839 C ? A ? 55 CH2 1
   ATOM 1141 H . TRP A 56 ? -1.95112 35.97176 25.61699 1.000 15.65486 H ? A ? 55 H 1
   ATOM 1142 HA . TRP A 56 ? -0.15549 35.64728 27.52442 1.000 16.98475 H ? A ? 55 HA 1
   ATOM 1143 HB2 . TRP A 56 ? -2.61525 36.93701 28.03106 1.000 18.42925 H ? A ? 55 HB2 1
   ATOM 1144 HB3 . TRP A 56 ? -1.19999 37.26446 28.67545 1.000 18.42925 H ? A ? 55 HB3 1
   ATOM 1145 HD1 . TRP A 56 ? -3.27215 38.67953 26.24771 1.000 17.09928 H ? A ? 55 HD1 1
   ATOM 1146 HE1 . TRP A 56 ? -2.19184 39.83301 24.47934 1.000 17.48525 H ? A ? 55 HE1 1
   ATOM 1147 HE3 . TRP A 56 ? 1.37662 37.42007 27.18057 1.000 17.01433 H ? A ? 55 HE3 1
   ATOM 1148 HZ2 . TRP A 56 ? 0.40895 40.20703 23.59120 1.000 19.10670 H ? A ? 55 HZ2 1
   ATOM 1149 HZ3 . TRP A 56 ? 3.06389 38.15118 25.82147 1.000 17.99700 H ? A ? 55 HZ3 1
   ATOM 1150 HH2 . TRP A 56 ? 2.55969 39.51754 23.99365 1.000 18.74272 H ? A ? 55 HH2 1
   ATOM 1151 N . ALA A 57 ? -2.69751 33.77873 27.72816 1.000 13.51215 N ? A ? 56 N 1
   ATOM 1152 CA . ALA A 57 ? -3.23868 32.62828 28.43509 1.000 15.49343 C ? A ? 56 CA 1
   ATOM 1153 C . ALA A 57 ? -2.31802 31.43372 28.30171 1.000 14.40908 C ? A ? 56 C 1
   ATOM 1154 O . ALA A 57 ? -2.58543 30.41596 28.98240 1.000 14.47672 O ? A ? 56 O 1
   ATOM 1155 CB . ALA A 57 ? -4.63052 32.31000 27.88661 1.000 15.73391 C ? A ? 56 CB 1
   ATOM 1156 H . ALA A 57 ? -3.13659 34.00985 27.02574 1.000 16.22722 H ? A ? 56 H 1
   ATOM 1157 HA . ALA A 57 ? -3.34441 32.82166 29.37972 1.000 18.60476 H ? A ? 56 HA 1
   ATOM 1158 HB1 . ALA A 57 ? -4.98403 31.53596 28.35222 1.000 18.89333 H ? A ? 56 HB1 1
   ATOM 1159 HB2 . ALA A 57 ? -5.20912 33.07517 28.03024 1.000 18.89333 H ? A ? 56 HB2 1
   ATOM 1160 HB3 . ALA A 57 ? -4.56054 32.12172 26.93764 1.000 18.89333 H ? A ? 56 HB3 1
   ATOM 1161 N . ALA A 58 ? -1.31864 31.45196 27.43078 1.000 12.98170 N ? A ? 57 N 1
   ATOM 1162 CA . ALA A 58 ? -0.31685 30.40216 27.29502 1.000 12.63932 C ? A ? 57 CA 1
   ATOM 1163 C . ALA A 58 ? 0.96037 30.67452 28.03922 1.000 13.39250 C ? A ? 57 C 1
   ATOM 1164 O . ALA A 58 ? 1.95490 29.96989 27.84945 1.000 13.47784 O ? A ? 57 O 1
   ATOM 1165 CB . ALA A 58 ? -0.08125 30.15660 25.83777 1.000 12.70910 C ? A ? 57 CB 1
   ATOM 1166 H . ALA A 58 ? -1.19188 32.09720 26.87652 1.000 15.59068 H ? A ? 57 H 1
   ATOM 1167 HA . ALA A 58 ? -0.65779 29.58477 27.69067 1.000 15.17983 H ? A ? 57 HA 1
   ATOM 1168 HB1 . ALA A 58 ? 0.64492 29.52130 25.73793 1.000 15.26356 H ? A ? 57 HB1 1
   ATOM 1169 HB2 . ALA A 58 ? -0.89134 29.79773 25.44297 1.000 15.26356 H ? A ? 57 HB2 1
   ATOM 1170 HB3 . ALA A 58 ? 0.15183 30.99531 25.40983 1.000 15.26356 H ? A ? 57 HB3 1
   ATOM 1171 N . PHE A 59 ? 0.91425 31.63128 28.96416 1.000 14.36045 N ? A ? 58 N 1
   ATOM 1172 CA . PHE A 59 ? 1.94118 31.84366 29.97861 1.000 14.40703 C ? A ? 58 CA 1
   ATOM 1173 C . PHE A 59 ? 1.38661 31.50947 31.36778 1.000 16.09379 C ? A ? 58 C 1
   ATOM 1174 O . PHE A 59 ? 1.72319 32.15482 32.34856 1.000 15.58705 O ? A ? 58 O 1
   ATOM 1175 CB . PHE A 59 ? 2.53846 33.23881 29.95455 1.000 15.01992 C ? A ? 58 CB 1
   ATOM 1176 CG . PHE A 59 ? 3.27993 33.63364 28.69888 1.000 14.22419 C ? A ? 58 CG 1
   ATOM 1177 CD1 . PHE A 59 ? 2.59782 34.20340 27.62289 1.000 14.00123 C ? A ? 58 CD1 1
   ATOM 1178 CD2 . PHE A 59 ? 4.65217 33.49585 28.57777 1.000 14.71465 C ? A ? 58 CD2 1
   ATOM 1179 CE1 . PHE A 59 ? 3.28895 34.60785 26.54100 1.000 14.08515 C ? A ? 58 CE1 1
   ATOM 1180 CE2 . PHE A 59 ? 5.29861 33.92338 27.51895 1.000 15.09391 C ? A ? 58 CE2 1
   ATOM 1181 CZ . PHE A 59 ? 4.63537 34.49046 26.43915 1.000 14.22158 C ? A ? 58 CZ 1
   ATOM 1182 H . PHE A 59 ? 0.26755 32.19484 29.02566 1.000 17.24519 H ? A ? 58 H 1
   ATOM 1183 HA . PHE A 59 ? 2.68035 31.24969 29.77437 1.000 17.30108 H ? A ? 58 HA 1
   ATOM 1184 HB2 . PHE A 59 ? 1.81745 33.87709 30.07137 1.000 18.03655 H ? A ? 58 HB2 1
   ATOM 1185 HB3 . PHE A 59 ? 3.16697 33.31001 30.68995 1.000 18.03655 H ? A ? 58 HB3 1
   ATOM 1186 HD1 . PHE A 59 ? 1.67364 34.30277 27.65311 1.000 16.81411 H ? A ? 58 HD1 1
   ATOM 1187 HD2 . PHE A 59 ? 5.12858 33.08938 29.26531 1.000 17.67023 H ? A ? 58 HD2 1
   ATOM 1188 HE1 . PHE A 59 ? 2.82134 34.98500 25.83108 1.000 16.91482 H ? A ? 58 HE1 1
   ATOM 1189 HE2 . PHE A 59 ? 6.22484 33.84449 27.49112 1.000 18.12533 H ? A ? 58 HE2 1
   ATOM 1190 HZ . PHE A 59 ? 5.09326 34.77625 25.68181 1.000 17.07854 H ? A ? 58 HZ 1
   ATOM 1191 N . GLY A 60 ? 0.61182 30.43714 31.46587 1.000 15.20266 N ? A ? 59 N 1
   ATOM 1192 CA . GLY A 60 ? 0.06080 30.00858 32.72940 1.000 17.78943 C ? A ? 59 CA 1
   ATOM 1193 C . GLY A 60 ? 1.17125 29.56295 33.67609 1.000 17.77350 C ? A ? 59 C 1
   ATOM 1194 O . GLY A 60 ? 2.31804 29.32349 33.30191 1.000 17.67927 O ? A ? 59 O 1
   ATOM 1195 H . GLY A 60 ? 0.39089 29.93763 30.80159 1.000 18.25584 H ? A ? 59 H 1
   ATOM 1196 HA2 . GLY A 60 ? -0.42595 30.74026 33.14002 1.000 21.35996 H ? A ? 59 HA2 1
   ATOM 1197 HA3 . GLY A 60 ? -0.54649 29.26567 32.58730 1.000 21.35996 H ? A ? 59 HA3 1
   ATOM 1198 N . PRO A 61 ? 0.86333 29.48424 34.96777 1.000 19.59950 N ? A ? 60 N 1
   ATOM 1199 CA . PRO A 61 ? 1.87528 29.07172 35.96057 1.000 28.06409 C ? A ? 60 CA 1
   ATOM 1200 C . PRO A 61 ? 2.52316 27.73046 35.59118 1.000 17.96084 C ? A ? 60 C 1
   ATOM 1201 O . PRO A 61 ? 1.84589 26.82264 35.14697 1.000 18.76082 O ? A ? 60 O 1
   ATOM 1202 CB . PRO A 61 ? 1.07098 28.93645 37.26172 1.000 36.73178 C ? A ? 60 CB 1
   ATOM 1203 CG . PRO A 61 ? -0.45150 28.89495 36.81531 1.000 35.82280 C ? A ? 60 CG 1
   ATOM 1204 CD . PRO A 61 ? -0.49814 29.65177 35.51731 1.000 26.55543 C ? A ? 60 CD 1
   ATOM 1205 HA . PRO A 61 ? 2.55269 29.76067 36.04639 1.000 33.68955 H ? A ? 60 HA 1
   ATOM 1206 HB2 . PRO A 61 ? 1.31973 28.11729 37.71779 1.000 44.09078 H ? A ? 60 HB2 1
   ATOM 1207 HB3 . PRO A 61 ? 1.24235 29.70026 37.83454 1.000 44.09078 H ? A ? 60 HB3 1
   ATOM 1208 HG2 . PRO A 61 ? -0.73440 27.97552 36.69070 1.000 43.00000 H ? A ? 60 HG2 1
   ATOM 1209 HG3 . PRO A 61 ? -1.00457 29.32413 37.48674 1.000 43.00000 H ? A ? 60 HG3 1
   ATOM 1210 HD2 . PRO A 61 ? -1.15974 29.26947 34.91978 1.000 31.87917 H ? A ? 60 HD2 1
   ATOM 1211 HD3 . PRO A 61 ? -0.69354 30.58913 35.67248 1.000 31.87917 H ? A ? 60 HD3 1
   ATOM 1212 N . GLY A 62 ? 3.83776 27.63180 35.80555 1.000 18.05094 N ? A ? 61 N 1
   ATOM 1213 CA . GLY A 62 ? 4.57160 26.42964 35.52053 1.000 16.49300 C ? A ? 61 CA 1
   ATOM 1214 C . GLY A 62 ? 4.96110 26.26630 34.08777 1.000 18.42877 C ? A ? 61 C 1
   ATOM 1215 O . GLY A 62 ? 5.50506 25.21215 33.74275 1.000 19.35789 O ? A ? 61 O 1
   ATOM 1216 H . GLY A 62 ? 4.32356 28.26711 36.12176 1.000 21.67377 H ? A ? 61 H 1
   ATOM 1217 HA2 . GLY A 62 ? 5.38331 26.42640 36.05159 1.000 19.80425 H ? A ? 61 HA2 1
   ATOM 1218 HA3 . GLY A 62 ? 4.02805 25.66591 35.76985 1.000 19.80425 H ? A ? 61 HA3 1
   ATOM 1219 N . THR A 63 ? 4.66968 27.24771 33.20642 1.000 16.81647 N ? A ? 62 N 1
   ATOM 1220 CA . THR A 63 ? 4.96538 27.12959 31.77485 1.000 16.62098 C ? A ? 62 CA 1
   ATOM 1221 C . THR A 63 ? 6.26052 27.79745 31.36372 1.000 15.18991 C ? A ? 62 C 1
   ATOM 1222 O . THR A 63 ? 6.35903 28.17730 30.20196 1.000 15.07167 O ? A ? 62 O 1
   ATOM 1223 CB . THR A 63 ? 3.77825 27.52012 30.88510 1.000 15.37823 C ? A ? 62 CB 1
   ATOM 1224 OG1 . THR A 63 ? 3.53218 28.93765 30.98563 1.000 16.15951 O ? A ? 62 OG1 1
   ATOM 1225 CG2 . THR A 63 ? 2.54086 26.79877 31.17407 1.000 17.71691 C ? A ? 62 CG2 1
   ATOM 1226 H . THR A 63 ? 4.29842 27.99263 33.42289 1.000 20.19240 H ? A ? 62 H 1
   ATOM 1227 HA . THR A 63 ? 5.09540 26.18462 31.59876 1.000 19.95782 H ? A ? 62 HA 1
   ATOM 1228 HB . THR A 63 ? 4.02296 27.27497 29.97905 1.000 18.46652 H ? A ? 62 HB 1
   ATOM 1229 HG1 . THR A 63 ? 2.87378 29.14947 30.50893 1.000 19.40406 H ? A ? 62 HG1 1
   ATOM 1230 HG21 . THR A 63 ? 1.84439 27.07463 30.55785 1.000 21.27294 H ? A ? 62 HG21 1
   ATOM 1231 HG22 . THR A 63 ? 2.68388 25.84394 31.08050 1.000 21.27294 H ? A ? 62 HG22 1
   ATOM 1232 HG23 . THR A 63 ? 2.25145 26.98638 32.08068 1.000 21.27294 H ? A ? 62 HG23 1
   ATOM 1233 N . GLU A 64 ? 7.26610 27.85677 32.24684 1.000 15.57234 N ? A ? 63 N 1
   ATOM 1234 CA . GLU A 64 ? 8.60505 28.23393 31.89940 1.000 15.69354 C ? A ? 63 CA 1
   ATOM 1235 C . GLU A 64 ? 8.98745 27.44177 30.68785 1.000 15.08339 C ? A ? 63 C 1
   ATOM 1236 O . GLU A 64 ? 8.69844 26.23372 30.57610 1.000 16.32217 O ? A ? 63 O 1
   ATOM 1237 CB . GLU A 64 ? 9.50648 27.94483 33.08496 1.000 16.48924 C ? A ? 63 CB 1
   ATOM 1238 CG . GLU A 64 ? 9.38070 28.88141 34.26186 1.000 18.20697 C ? A ? 63 CG 1
   ATOM 1239 CD . GLU A 64 ? 8.16626 28.59704 35.21163 1.000 16.35547 C ? A ? 63 CD 1
   ATOM 1240 OE1 . GLU A 64 ? 7.27818 27.64599 34.95438 1.000 17.72645 O ? A ? 63 OE1 1
   ATOM 1241 OE2 . GLU A 64 ? 8.03341 29.35609 36.22366 1.000 16.95239 O ? A ? 63 OE2 1
   ATOM 1242 H . GLU A 64 ? 7.17815 27.67292 33.08234 1.000 18.69945 H ? A ? 63 H 1
   ATOM 1243 HA . GLU A 64 ? 8.70022 29.17761 31.69614 1.000 18.84489 H ? A ? 63 HA 1
   ATOM 1244 HB2 . GLU A 64 ? 9.30502 27.05241 33.40731 1.000 19.79973 H ? A ? 63 HB2 1
   ATOM 1245 HB3 . GLU A 64 ? 10.42706 27.98833 32.78241 1.000 19.79973 H ? A ? 63 HB3 1
   ATOM 1246 HG2 . GLU A 64 ? 10.18796 28.81407 34.79544 1.000 21.86100 H ? A ? 63 HG2 1
   ATOM 1247 HG3 . GLU A 64 ? 9.27996 29.78555 33.92528 1.000 21.86100 H ? A ? 63 HG3 1
   ATOM 1248 N . GLY A 65 ? 9.69029 28.09544 29.83342 1.000 15.73263 N ? A ? 64 N 1
   ATOM 1249 CA . GLY A 65 ? 10.20542 27.46416 28.65535 1.000 16.05882 C ? A ? 64 CA 1
   ATOM 1250 C . GLY A 65 ? 10.39066 28.46658 27.55785 1.000 14.87102 C ? A ? 64 C 1
   ATOM 1251 O . GLY A 65 ? 10.11689 29.66877 27.69694 1.000 15.41045 O ? A ? 64 O 1
   ATOM 1252 H . GLY A 65 ? 9.89385 28.92788 29.90555 1.000 18.89180 H ? A ? 64 H 1
   ATOM 1253 HA2 . GLY A 65 ? 11.06186 27.05284 28.85088 1.000 19.28323 H ? A ? 64 HA2 1
   ATOM 1254 HA3 . GLY A 65 ? 9.58816 26.77981 28.35278 1.000 19.28323 H ? A ? 64 HA3 1
   ATOM 1255 N . GLY A 66 ? 10.88535 27.98838 26.45800 1.000 16.45811 N ? A ? 65 N 1
   ATOM 1256 CA . GLY A 66 ? 11.11744 28.84317 25.35299 1.000 16.70274 C ? A ? 65 CA 1
   ATOM 1257 C . GLY A 66 ? 12.11971 29.93131 25.67919 1.000 17.19132 C ? A ? 65 C 1
   ATOM 1258 O . GLY A 66 ? 13.15635 29.69480 26.35934 1.000 18.49098 O ? A ? 65 O 1
   ATOM 1259 H . GLY A 66 ? 11.09617 27.16489 26.32753 1.000 19.76238 H ? A ? 65 H 1
   ATOM 1260 HA2 . GLY A 66 ? 11.45952 28.32341 24.60887 1.000 20.05593 H ? A ? 65 HA2 1
   ATOM 1261 HA3 . GLY A 66 ? 10.28378 29.26260 25.08845 1.000 20.05593 H ? A ? 65 HA3 1
   ATOM 1262 N A ASP A 67 ? 11.83559 31.17561 25.23558 0.575 16.26811 N ? A ? 66 N 1
   ATOM 1263 CA A ASP A 67 ? 12.63533 32.36172 25.50082 0.575 16.69514 C ? A ? 66 CA 1
   ATOM 1264 C A ASP A 67 ? 11.92604 33.29694 26.48091 0.575 16.39569 C ? A ? 66 C 1
   ATOM 1265 O A ASP A 67 ? 12.26290 34.48059 26.60437 0.575 17.12559 O ? A ? 66 O 1
   ATOM 1266 CB A ASP A 67 ? 13.11027 33.03306 24.19691 0.575 18.11083 C ? A ? 66 CB 1
   ATOM 1267 CG A ASP A 67 ? 14.22830 32.22192 23.46159 0.575 22.10621 C ? A ? 66 CG 1
   ATOM 1268 OD1 A ASP A 67 ? 14.94649 31.45503 24.14105 0.575 24.32596 O ? A ? 66 OD1 1
   ATOM 1269 OD2 A ASP A 67 ? 14.40535 32.40462 22.23749 0.575 22.47796 O ? A ? 66 OD2 1
   ATOM 1270 H A ASP A 67 ? 11.14517 31.35320 24.75457 0.575 19.53438 H ? A ? 66 H 1
   ATOM 1271 HA A ASP A 67 ? 13.46693 32.11063 25.93242 0.575 20.04681 H ? A ? 66 HA 1
   ATOM 1272 HB2 A ASP A 67 ? 12.35588 33.11681 23.59295 0.575 21.74564 H ? A ? 66 HB2 1
   ATOM 1273 HB3 A ASP A 67 ? 13.46667 33.91059 24.40624 0.575 21.74564 H ? A ? 66 HB3 1
   ATOM 1274 N B ASP A 67 ? 11.90327 31.08038 25.05449 0.425 16.50617 N ? A ? 66 N 1
   ATOM 1275 CA B ASP A 67 ? 12.75418 32.22255 25.26560 0.425 16.93467 C ? A ? 66 CA 1
   ATOM 1276 C B ASP A 67 ? 12.08000 33.20986 26.17682 0.425 16.17256 C ? A ? 66 C 1
   ATOM 1277 O B ASP A 67 ? 12.37305 34.38736 26.13950 0.425 16.44212 O ? A ? 66 O 1
   ATOM 1278 CB B ASP A 67 ? 13.18149 32.84825 23.94125 0.425 17.62998 C ? A ? 66 CB 1
   ATOM 1279 CG B ASP A 67 ? 14.22020 32.00753 23.21213 0.425 21.26115 C ? A ? 66 CG 1
   ATOM 1280 OD1 B ASP A 67 ? 14.71212 30.99100 23.77016 0.425 17.41280 O ? A ? 66 OD1 1
   ATOM 1281 OD2 B ASP A 67 ? 14.50497 32.38885 22.07030 0.425 23.12659 O ? A ? 66 OD2 1
   ATOM 1282 H B ASP A 67 ? 11.26082 31.21622 24.49915 0.425 19.82005 H ? A ? 66 H 1
   ATOM 1283 HA B ASP A 67 ? 13.58192 31.94369 25.68747 0.425 20.33424 H ? A ? 66 HA 1
   ATOM 1284 HB2 B ASP A 67 ? 12.40546 32.93473 23.36576 0.425 21.16862 H ? A ? 66 HB2 1
   ATOM 1285 HB3 B ASP A 67 ? 13.56666 33.72190 24.11234 0.425 21.16862 H ? A ? 66 HB3 1
   ATOM 1286 N A ALA A 68 ? 10.97016 32.74185 27.20779 0.575 15.95451 N ? A ? 67 N 1
   ATOM 1287 CA A ALA A 68 ? 10.31240 33.50141 28.26016 0.575 15.15500 C ? A ? 67 CA 1
   ATOM 1288 C A ALA A 68 ? 11.20114 33.67107 29.50476 0.575 15.94920 C ? A ? 67 C 1
   ATOM 1289 O A ALA A 68 ? 11.66615 32.67843 30.08903 0.575 16.70148 O ? A ? 67 O 1
   ATOM 1290 CB A ALA A 68 ? 9.02122 32.79721 28.63711 0.575 14.70007 C ? A ? 67 CB 1
   ATOM 1291 H A ALA A 68 ? 10.68569 31.93569 27.11406 0.575 19.15805 H ? A ? 67 H 1
   ATOM 1292 HA A ALA A 68 ? 10.12440 34.39410 27.93052 0.575 18.19865 H ? A ? 67 HA 1
   ATOM 1293 HB1 A ALA A 68 ? 8.57700 33.30419 29.33463 0.575 17.65273 H ? A ? 67 HB1 1
   ATOM 1294 HB2 A ALA A 68 ? 8.45129 32.74221 27.85414 0.575 17.65273 H ? A ? 67 HB2 1
   ATOM 1295 HB3 A ALA A 68 ? 9.22967 31.90579 28.95779 0.575 17.65273 H ? A ? 67 HB3 1
   ATOM 1296 N B ALA A 68 ? 11.14615 32.73843 26.98499 0.425 16.53117 N ? A ? 67 N 1
   ATOM 1297 CA B ALA A 68 ? 10.52596 33.58436 27.97731 0.425 15.08934 C ? A ? 67 CA 1
   ATOM 1298 C B ALA A 68 ? 11.42052 33.65620 29.21768 0.425 15.17337 C ? A ? 67 C 1
   ATOM 1299 O B ALA A 68 ? 11.97952 32.62174 29.63763 0.425 14.32597 O ? A ? 67 O 1
   ATOM 1300 CB B ALA A 68 ? 9.15866 33.00431 28.35155 0.425 13.87545 C ? A ? 67 CB 1
   ATOM 1301 H B ALA A 68 ? 10.85611 31.92887 26.97533 0.425 19.85004 H ? A ? 67 H 1
   ATOM 1302 HA B ALA A 68 ? 10.40334 34.48374 27.63530 0.425 18.11985 H ? A ? 67 HA 1
   ATOM 1303 HB1 B ALA A 68 ? 8.75010 33.56882 29.02631 0.425 16.66318 H ? A ? 67 HB1 1
   ATOM 1304 HB2 B ALA A 68 ? 8.59933 32.97785 27.55950 0.425 16.66318 H ? A ? 67 HB2 1
   ATOM 1305 HB3 B ALA A 68 ? 9.28083 32.10746 28.70033 0.425 16.66318 H ? A ? 67 HB3 1
   ATOM 1306 N A ARG A 69 ? 11.44477 34.89039 29.89959 0.575 16.79651 N ? A ? 68 N 1
   ATOM 1307 CA A ARG A 69 ? 12.19197 35.08864 31.12762 0.575 17.04085 C ? A ? 68 CA 1
   ATOM 1308 C A ARG A 69 ? 11.34969 34.66742 32.32713 0.575 15.53593 C ? A ? 68 C 1
   ATOM 1309 O A ARG A 69 ? 10.11665 34.86731 32.38150 0.575 17.67864 O ? A ? 68 O 1
   ATOM 1310 CB A ARG A 69 ? 12.66070 36.55076 31.29837 0.575 16.98824 C ? A ? 68 CB 1
   ATOM 1311 CG A ARG A 69 ? 13.68578 36.91957 30.31927 0.575 18.36655 C ? A ? 68 CG 1
   ATOM 1312 CD A ARG A 69 ? 14.22072 38.30024 30.46002 0.575 19.29439 C ? A ? 68 CD 1
   ATOM 1313 NE A ARG A 69 ? 14.75072 38.59135 31.78207 0.575 22.68309 N ? A ? 68 NE 1
   ATOM 1314 CZ A ARG A 69 ? 15.34357 39.73197 32.12465 0.575 27.84964 C ? A ? 68 CZ 1
   ATOM 1315 NH1 A ARG A 69 ? 15.51953 40.71480 31.24445 0.575 26.13226 N ? A ? 68 NH1 1
   ATOM 1316 NH2 A ARG A 69 ? 15.79964 39.87526 33.36525 0.575 30.95624 N ? A ? 68 NH2 1
   ATOM 1317 H A ARG A 69 ? 11.19931 35.60701 29.49241 0.575 20.16845 H ? A ? 68 H 1
   ATOM 1318 HA A ARG A 69 ? 12.99180 34.54084 31.09461 0.575 20.46167 H ? A ? 68 HA 1
   ATOM 1319 HB2 A ARG A 69 ? 11.90211 37.14374 31.18084 0.575 20.39854 H ? A ? 68 HB2 1
   ATOM 1320 HB3 A ARG A 69 ? 13.03519 36.66310 32.18609 0.575 20.39854 H ? A ? 68 HB3 1
   ATOM 1321 HG2 A ARG A 69 ? 14.43326 36.30818 30.41085 0.575 22.05251 H ? A ? 68 HG2 1
   ATOM 1322 HG3 A ARG A 69 ? 13.30372 36.84573 29.43075 0.575 22.05251 H ? A ? 68 HG3 1
   ATOM 1323 HD2 A ARG A 69 ? 14.93907 38.42369 29.81999 0.575 23.16591 H ? A ? 68 HD2 1
   ATOM 1324 HD3 A ARG A 69 ? 13.50612 38.93172 30.28258 0.575 23.16591 H ? A ? 68 HD3 1
   ATOM 1325 HE A ARG A 69 ? 14.67569 37.98313 32.38543 0.575 27.23235 H ? A ? 68 HE 1
   ATOM 1326 HH11 A ARG A 69 ? 15.24754 40.62013 30.43411 0.575 31.37136 H ? A ? 68 HH11 1
   ATOM 1327 HH12 A ARG A 69 ? 15.90521 41.44450 31.48610 0.575 31.37136 H ? A ? 68 HH12 1
   ATOM 1328 HH21 A ARG A 69 ? 15.70938 39.23574 33.93311 0.575 37.16013 H ? A ? 68 HH21 1
   ATOM 1329 HH22 A ARG A 69 ? 16.18490 40.60747 33.59987 0.575 37.16013 H ? A ? 68 HH22 1
   ATOM 1330 N B ARG A 69 ? 11.46042 34.84211 29.87363 0.425 16.67897 N ? A ? 68 N 1
   ATOM 1331 CA B ARG A 69 ? 12.19271 35.05899 31.12140 0.425 17.00967 C ? A ? 68 CA 1
   ATOM 1332 C B ARG A 69 ? 11.35205 34.64470 32.32020 0.425 15.58223 C ? A ? 68 C 1
   ATOM 1333 O B ARG A 69 ? 10.12117 34.81009 32.34095 0.425 17.63847 O ? A ? 68 O 1
   ATOM 1334 CB B ARG A 69 ? 12.60498 36.53450 31.31636 0.425 17.01974 C ? A ? 68 CB 1
   ATOM 1335 CG B ARG A 69 ? 13.75573 36.92361 30.45632 0.425 18.97516 C ? A ? 68 CG 1
   ATOM 1336 CD B ARG A 69 ? 14.18891 38.35441 30.58443 0.425 20.48284 C ? A ? 68 CD 1
   ATOM 1337 NE B ARG A 69 ? 14.61572 38.70477 31.92981 0.425 24.50365 N ? A ? 68 NE 1
   ATOM 1338 CZ B ARG A 69 ? 15.11438 39.88650 32.27759 0.425 28.22551 C ? A ? 68 CZ 1
   ATOM 1339 NH1 B ARG A 69 ? 15.23783 40.87870 31.40018 0.425 27.32981 N ? A ? 68 NH1 1
   ATOM 1340 NH2 B ARG A 69 ? 15.49719 40.07663 33.53586 0.425 31.80007 N ? A ? 68 NH2 1
   ATOM 1341 H B ARG A 69 ? 11.05651 35.55031 29.59993 0.425 20.02741 H ? A ? 68 H 1
   ATOM 1342 HA B ARG A 69 ? 13.00057 34.52370 31.08000 0.425 20.42425 H ? A ? 68 HA 1
   ATOM 1343 HB2 B ARG A 69 ? 11.85384 37.10542 31.09112 0.425 20.43633 H ? A ? 68 HB2 1
   ATOM 1344 HB3 B ARG A 69 ? 12.86045 36.67211 32.24194 0.425 20.43633 H ? A ? 68 HB3 1
   ATOM 1345 HG2 B ARG A 69 ? 14.51614 36.36861 30.69012 0.425 22.78284 H ? A ? 68 HG2 1
   ATOM 1346 HG3 B ARG A 69 ? 13.51052 36.77700 29.52935 0.425 22.78284 H ? A ? 68 HG3 1
   ATOM 1347 HD2 B ARG A 69 ? 14.93467 38.51235 29.98460 0.425 24.59205 H ? A ? 68 HD2 1
   ATOM 1348 HD3 B ARG A 69 ? 13.44530 38.93071 30.34814 0.425 24.59205 H ? A ? 68 HD3 1
   ATOM 1349 HE B ARG A 69 ? 14.54022 38.10602 32.54251 0.425 29.41702 H ? A ? 68 HE 1
   ATOM 1350 HH11 B ARG A 69 ? 14.99196 40.76412 30.58408 0.425 32.80842 H ? A ? 68 HH11 1
   ATOM 1351 HH12 B ARG A 69 ? 15.56352 41.63474 31.64903 0.425 32.80842 H ? A ? 68 HH12 1
   ATOM 1352 HH21 B ARG A 69 ? 15.42026 39.44055 34.10951 0.425 38.17273 H ? A ? 68 HH21 1
   ATOM 1353 HH22 B ARG A 69 ? 15.82186 40.83576 33.77650 0.425 38.17273 H ? A ? 68 HH22 1
   ATOM 1354 N . PRO A 70 ? 12.00186 34.14798 33.37882 1.000 18.38020 N ? A ? 69 N 1
   ATOM 1355 CA . PRO A 70 ? 11.26144 33.73251 34.55417 1.000 16.80055 C ? A ? 69 CA 1
   ATOM 1356 C . PRO A 70 ? 10.55547 34.88885 35.25646 1.000 17.64538 C ? A ? 69 C 1
   ATOM 1357 O . PRO A 70 ? 9.60230 34.60638 35.96614 1.000 17.46392 O ? A ? 69 O 1
   ATOM 1358 CB . PRO A 70 ? 12.34171 33.06839 35.48313 1.000 17.82705 C ? A ? 69 CB 1
   ATOM 1359 CG . PRO A 70 ? 13.66147 33.52495 34.92614 1.000 23.06525 C ? A ? 69 CG 1
   ATOM 1360 CD . PRO A 70 ? 13.44061 33.79769 33.44697 1.000 17.56335 C ? A ? 69 CD 1
   ATOM 1361 HA . PRO A 70 ? 10.61434 33.05239 34.31003 1.000 20.17330 H ? A ? 69 HA 1
   ATOM 1362 HB2 . PRO A 70 ? 12.22540 33.37371 36.39644 1.000 21.40511 H ? A ? 69 HB2 1
   ATOM 1363 HB3 . PRO A 70 ? 12.26311 32.10238 35.44371 1.000 21.40511 H ? A ? 69 HB3 1
   ATOM 1364 HG2 . PRO A 70 ? 13.94345 34.33289 35.38287 1.000 27.69095 H ? A ? 69 HG2 1
   ATOM 1365 HG3 . PRO A 70 ? 14.32340 32.82652 35.04837 1.000 27.69095 H ? A ? 69 HG3 1
   ATOM 1366 HD2 . PRO A 70 ? 13.99109 34.53747 33.14596 1.000 21.08867 H ? A ? 69 HD2 1
   ATOM 1367 HD3 . PRO A 70 ? 13.62928 33.00697 32.91777 1.000 21.08867 H ? A ? 69 HD3 1
   ATOM 1368 N . GLU A 71 ? 11.01045 36.14095 35.07416 1.000 17.85612 N ? A ? 70 N 1
   ATOM 1369 CA . GLU A 71 ? 10.34121 37.25989 35.73369 1.000 19.80140 C ? A ? 70 CA 1
   ATOM 1370 C . GLU A 71 ? 8.82327 37.41280 35.37199 1.000 18.15404 C ? A ? 70 C 1
   ATOM 1371 O . GLU A 71 ? 8.06715 38.01008 36.15157 1.000 19.50100 O ? A ? 70 O 1
   ATOM 1372 CB . GLU A 71 ? 11.07266 38.55713 35.46781 1.000 21.00337 C ? A ? 70 CB 1
   ATOM 1373 CG . GLU A 71 ? 12.48010 38.68125 36.10753 1.000 25.93912 C ? A ? 70 CG 1
   ATOM 1374 CD . GLU A 71 ? 13.66099 38.02602 35.35020 1.000 29.47059 C ? A ? 70 CD 1
   ATOM 1375 OE1 . GLU A 71 ? 13.49380 37.20997 34.38991 1.000 21.88899 O ? A ? 70 OE1 1
   ATOM 1376 OE2 . GLU A 71 ? 14.85434 38.31122 35.74743 1.000 31.45414 O ? A ? 70 OE2 1
   ATOM 1377 H . GLU A 71 ? 11.68534 36.35670 34.58674 1.000 21.43999 H ? A ? 70 H 1
   ATOM 1378 HA . GLU A 71 ? 10.37906 37.08226 36.68654 1.000 23.77433 H ? A ? 70 HA 1
   ATOM 1379 HB2 . GLU A 71 ? 11.18332 38.65262 34.50888 1.000 25.21669 H ? A ? 70 HB2 1
   ATOM 1380 HB3 . GLU A 71 ? 10.53430 39.28604 35.81386 1.000 25.21669 H ? A ? 70 HB3 1
   ATOM 1381 HG2 . GLU A 71 ? 12.68861 39.62493 36.19063 1.000 31.13958 H ? A ? 70 HG2 1
   ATOM 1382 HG3 . GLU A 71 ? 12.44676 38.27029 36.98554 1.000 31.13958 H ? A ? 70 HG3 1
   ATOM 1383 N . ILE A 72 ? 8.37578 36.77419 34.28030 1.000 16.79045 N ? A ? 71 N 1
   ATOM 1384 CA . ILE A 72 ? 6.96588 36.75000 33.95230 1.000 16.55804 C ? A ? 71 CA 1
   ATOM 1385 C . ILE A 72 ? 6.14832 36.24064 35.10454 1.000 18.15615 C ? A ? 71 C 1
   ATOM 1386 O . ILE A 72 ? 5.03255 36.76353 35.38157 1.000 18.79872 O ? A ? 71 O 1
   ATOM 1387 CB . ILE A 72 ? 6.75394 35.87715 32.70548 1.000 15.14700 C ? A ? 71 CB 1
   ATOM 1388 CG1 . ILE A 72 ? 7.35451 36.53326 31.50276 1.000 15.46738 C ? A ? 71 CG1 1
   ATOM 1389 CG2 . ILE A 72 ? 5.28286 35.54258 32.47266 1.000 15.29336 C ? A ? 71 CG2 1
   ATOM 1390 CD1 . ILE A 72 ? 7.31825 35.74180 30.21905 1.000 16.95937 C ? A ? 71 CD1 1
   ATOM 1391 H . ILE A 72 ? 8.87516 36.35181 33.72190 1.000 20.16118 H ? A ? 71 H 1
   ATOM 1392 HA . ILE A 72 ? 6.67680 37.65716 33.76682 1.000 19.88229 H ? A ? 71 HA 1
   ATOM 1393 HB . ILE A 72 ? 7.20989 35.03565 32.86321 1.000 18.18905 H ? A ? 71 HB 1
   ATOM 1394 HG12 . ILE A 72 ? 6.87604 37.36128 31.34038 1.000 18.57350 H ? A ? 71 HG12 1
   ATOM 1395 HG13 . ILE A 72 ? 8.28649 36.72092 31.69535 1.000 18.57350 H ? A ? 71 HG13 1
   ATOM 1396 HG21 . ILE A 72 ? 5.17843 35.18370 31.57757 1.000 18.36467 H ? A ? 71 HG21 1
   ATOM 1397 HG22 . ILE A 72 ? 5.00106 34.88497 33.12767 1.000 18.36467 H ? A ? 71 HG22 1
   ATOM 1398 HG23 . ILE A 72 ? 4.75607 36.35144 32.56827 1.000 18.36467 H ? A ? 71 HG23 1
   ATOM 1399 HD11 . ILE A 72 ? 8.07740 35.99454 29.67068 1.000 20.36389 H ? A ? 71 HD11 1
   ATOM 1400 HD12 . ILE A 72 ? 7.36270 34.79602 30.42981 1.000 20.36389 H ? A ? 71 HD12 1
   ATOM 1401 HD13 . ILE A 72 ? 6.49186 35.93778 29.75046 1.000 20.36389 H ? A ? 71 HD13 1
   ATOM 1402 N . TRP A 73 ? 6.70689 35.26055 35.86051 1.000 17.45153 N ? A ? 72 N 1
   ATOM 1403 CA . TRP A 73 ? 5.93924 34.59343 36.89687 1.000 17.68728 C ? A ? 72 CA 1
   ATOM 1404 C . TRP A 73 ? 6.33190 35.04362 38.31772 1.000 18.25471 C ? A ? 72 C 1
   ATOM 1405 O . TRP A 73 ? 5.57502 34.74015 39.24705 1.000 25.30386 O ? A ? 72 O 1
   ATOM 1406 H . TRP A 73 ? 7.51656 34.98234 35.77911 1.000 20.95448 H ? A ? 72 H 1
   ATOM 1407 HA . TRP A 73 ? 4.99697 34.79412 36.78395 1.000 21.23738 H ? A ? 72 HA 1
   ATOM 1408 CB A TRP A 73 ? 6.10256 33.07397 36.76153 0.908 17.66868 C ? A ? 72 CB 1
   ATOM 1409 CG A TRP A 73 ? 5.55867 32.56247 35.51610 0.908 18.42753 C ? A ? 72 CG 1
   ATOM 1410 CD1 A TRP A 73 ? 4.24985 32.34626 35.24830 0.908 17.40102 C ? A ? 72 CD1 1
   ATOM 1411 CD2 A TRP A 73 ? 6.28458 32.28999 34.27869 0.908 17.20382 C ? A ? 72 CD2 1
   ATOM 1412 NE1 A TRP A 73 ? 4.09389 31.87609 33.96140 0.908 18.50559 N ? A ? 72 NE1 1
   ATOM 1413 CE2 A TRP A 73 ? 5.32868 31.82825 33.34070 0.908 17.07749 C ? A ? 72 CE2 1
   ATOM 1414 CE3 A TRP A 73 ? 7.61104 32.33141 33.88548 0.908 16.50206 C ? A ? 72 CE3 1
   ATOM 1415 CZ2 A TRP A 73 ? 5.64679 31.43438 32.04011 0.908 15.88751 C ? A ? 72 CZ2 1
   ATOM 1416 CZ3 A TRP A 73 ? 7.92606 31.99218 32.55955 0.908 16.57877 C ? A ? 72 CZ3 1
   ATOM 1417 CH2 A TRP A 73 ? 6.94554 31.57631 31.66596 0.908 16.65270 C ? A ? 72 CH2 1
   ATOM 1418 HB2 A TRP A 73 ? 7.04673 32.85349 36.79048 0.908 21.21505 H ? A ? 72 HB2 1
   ATOM 1419 HB3 A TRP A 73 ? 5.63781 32.63941 37.49370 0.908 21.21505 H ? A ? 72 HB3 1
   ATOM 1420 HD1 A TRP A 73 ? 3.55404 32.49388 35.84743 0.908 20.89386 H ? A ? 72 HD1 1
   ATOM 1421 HE1 A TRP A 73 ? 3.34665 31.64853 33.60161 0.908 22.21935 H ? A ? 72 HE1 1
   ATOM 1422 HE3 A TRP A 73 ? 8.27783 32.57802 34.48505 0.908 19.81512 H ? A ? 72 HE3 1
   ATOM 1423 HZ2 A TRP A 73 ? 5.00446 31.09310 31.46059 0.908 19.07765 H ? A ? 72 HZ2 1
   ATOM 1424 HZ3 A TRP A 73 ? 8.80920 32.04688 32.27324 0.908 19.90716 H ? A ? 72 HZ3 1
   ATOM 1425 HH2 A TRP A 73 ? 7.18529 31.38990 30.78694 0.908 19.99588 H ? A ? 72 HH2 1
   ATOM 1426 CB B TRP A 73 ? 6.10034 33.06501 36.77024 0.092 17.91573 C ? A ? 72 CB 1
   ATOM 1427 CG B TRP A 73 ? 5.60746 32.51252 35.43478 0.092 18.54952 C ? A ? 72 CG 1
   ATOM 1428 CD1 B TRP A 73 ? 4.32899 32.11404 35.12406 0.092 19.43865 C ? A ? 72 CD1 1
   ATOM 1429 CD2 B TRP A 73 ? 6.38613 32.31167 34.24192 0.092 17.26963 C ? A ? 72 CD2 1
   ATOM 1430 NE1 B TRP A 73 ? 4.26842 31.67980 33.81524 0.092 19.69225 N ? A ? 72 NE1 1
   ATOM 1431 CE2 B TRP A 73 ? 5.51446 31.79421 33.25256 0.092 17.44613 C ? A ? 72 CE2 1
   ATOM 1432 CE3 B TRP A 73 ? 7.73304 32.51259 33.91498 0.092 17.20847 C ? A ? 72 CE3 1
   ATOM 1433 CZ2 B TRP A 73 ? 5.94882 31.48312 31.96270 0.092 16.65458 C ? A ? 72 CZ2 1
   ATOM 1434 CZ3 B TRP A 73 ? 8.15778 32.20565 32.63323 0.092 16.93671 C ? A ? 72 CZ3 1
   ATOM 1435 CH2 B TRP A 73 ? 7.27034 31.70234 31.67423 0.092 16.39095 C ? A ? 72 CH2 1
   ATOM 1436 HB2 B TRP A 73 ? 7.04010 32.84069 36.85651 0.092 21.51152 H ? A ? 72 HB2 1
   ATOM 1437 HB3 B TRP A 73 ? 5.59088 32.63662 37.47581 0.092 21.51152 H ? A ? 72 HB3 1
   ATOM 1438 HD1 B TRP A 73 ? 3.60826 32.13415 35.71146 0.092 23.33903 H ? A ? 72 HD1 1
   ATOM 1439 HE1 B TRP A 73 ? 3.56486 31.38570 33.41761 0.092 23.64334 H ? A ? 72 HE1 1
   ATOM 1440 HE3 B TRP A 73 ? 8.32994 32.84533 34.54578 0.092 20.66281 H ? A ? 72 HE3 1
   ATOM 1441 HZ2 B TRP A 73 ? 5.36479 31.14091 31.32497 0.092 19.99814 H ? A ? 72 HZ2 1
   ATOM 1442 HZ3 B TRP A 73 ? 9.04980 32.33634 32.40492 0.092 20.33670 H ? A ? 72 HZ3 1
   ATOM 1443 HH2 B TRP A 73 ? 7.58566 31.51209 30.82025 0.092 19.68178 H ? A ? 72 HH2 1
   ATOM 1444 N . SER A 74 ? 7.40941 35.74646 38.49696 1.000 21.67904 N ? A ? 73 N 1
   ATOM 1445 CA . SER A 74 ? 7.72731 36.21974 39.84021 1.000 24.66629 C ? A ? 73 CA 1
   ATOM 1446 C . SER A 74 ? 7.00908 37.51610 40.13777 1.000 34.18233 C ? A ? 73 C 1
   ATOM 1447 O . SER A 74 ? 6.80246 37.81872 41.30681 1.000 28.24694 O ? A ? 73 O 1
   ATOM 1448 CB . SER A 74 ? 9.22416 36.21659 40.00829 1.000 22.36280 C ? A ? 73 CB 1
   ATOM 1449 OG . SER A 74 ? 9.83843 37.12872 39.15392 1.000 23.30883 O ? A ? 73 OG 1
   ATOM 1450 H . SER A 74 ? 7.96941 35.96588 37.88226 1.000 26.02749 H ? A ? 73 H 1
   ATOM 1451 HA . SER A 74 ? 7.43311 35.63061 40.55243 1.000 29.61219 H ? A ? 73 HA 1
   ATOM 1452 HB2 . SER A 74 ? 9.43638 36.45448 40.92441 1.000 26.84800 H ? A ? 73 HB2 1
   ATOM 1453 HB3 . SER A 74 ? 9.55914 35.32810 39.81013 1.000 26.84800 H ? A ? 73 HB3 1
   ATOM 1454 HG . SER A 74 ? 10.65431 37.19462 39.34259 1.000 27.98324 H ? A ? 73 HG 1
   ATOM 1455 N . ASP A 75 ? 6.50648 38.22534 39.12037 1.000 29.45122 N ? A ? 74 N 1
   ATOM 1456 CA . ASP A 75 ? 5.64388 39.38900 39.34721 1.000 42.80868 C ? A ? 74 CA 1
   ATOM 1457 C . ASP A 75 ? 4.48303 39.29708 38.36078 1.000 27.80368 C ? A ? 74 C 1
   ATOM 1458 O . ASP A 75 ? 4.51141 39.92607 37.30673 1.000 22.68585 O ? A ? 74 O 1
   ATOM 1459 CB . ASP A 75 ? 6.33673 40.74979 39.22785 1.000 48.11213 C ? A ? 74 CB 1
   ATOM 1460 CG . ASP A 75 ? 5.42042 41.93426 39.70339 1.000 48.75733 C ? A ? 74 CG 1
   ATOM 1461 OD1 . ASP A 75 ? 4.18897 41.78917 39.87427 1.000 32.61583 O ? A ? 74 OD1 1
   ATOM 1462 OD2 . ASP A 75 ? 5.96177 43.04091 39.89754 1.000 46.43403 O ? A ? 74 OD2 1
   ATOM 1463 H . ASP A 75 ? 6.65208 38.05041 38.29103 1.000 35.35411 H ? A ? 74 H 1
   ATOM 1464 HA . ASP A 75 ? 5.33421 39.31595 40.26355 1.000 51.38305 H ? A ? 74 HA 1
   ATOM 1465 HB2 . ASP A 75 ? 7.13601 40.74804 39.77743 1.000 57.74719 H ? A ? 74 HB2 1
   ATOM 1466 HB3 . ASP A 75 ? 6.57252 40.90533 38.29989 1.000 57.74719 H ? A ? 74 HB3 1
   ATOM 1467 N . ALA A 76 ? 3.43136 38.57798 38.71067 1.000 31.79300 N ? A ? 75 N 1
   ATOM 1468 CA . ALA A 76 ? 2.35484 38.42283 37.74344 1.000 33.88507 C ? A ? 75 CA 1
   ATOM 1469 C . ALA A 76 ? 1.66330 39.75822 37.46388 1.000 34.50469 C ? A ? 75 C 1
   ATOM 1470 O . ALA A 76 ? 1.26013 40.03268 36.32553 1.000 20.45776 O ? A ? 75 O 1
   ATOM 1471 CB . ALA A 76 ? 1.34174 37.41367 38.25805 1.000 35.58286 C ? A ? 75 CB 1
   ATOM 1472 H . ALA A 76 ? 3.31823 38.18541 39.46743 1.000 38.16425 H ? A ? 75 H 1
   ATOM 1473 HA . ALA A 76 ? 2.72899 38.09203 36.91189 1.000 40.67473 H ? A ? 75 HA 1
   ATOM 1474 HB1 . ALA A 76 ? 0.62612 37.32563 37.60917 1.000 42.71207 H ? A ? 75 HB1 1
   ATOM 1475 HB2 . ALA A 76 ? 1.78274 36.55868 38.38218 1.000 42.71207 H ? A ? 75 HB2 1
   ATOM 1476 HB3 . ALA A 76 ? 0.98480 37.72760 39.10359 1.000 42.71207 H ? A ? 75 HB3 1
   ATOM 1477 N . ALA A 77 ? 1.48787 40.60130 38.49056 1.000 24.85650 N ? A ? 76 N 1
   ATOM 1478 CA . ALA A 77 ? 0.79429 41.87110 38.25790 1.000 33.28783 C ? A ? 76 CA 1
   ATOM 1479 C . ALA A 77 ? 1.51749 42.72093 37.22658 1.000 23.37545 C ? A ? 76 C 1
   ATOM 1480 O . ALA A 77 ? 0.86221 43.36090 36.37146 1.000 19.89936 O ? A ? 76 O 1
   ATOM 1481 CB . ALA A 77 ? 0.68025 42.64697 39.56502 1.000 41.10125 C ? A ? 76 CB 1
   ATOM 1482 H . ALA A 77 ? 1.75061 40.46623 39.29823 1.000 29.84044 H ? A ? 76 H 1
   ATOM 1483 HA . ALA A 77 ? -0.09627 41.67572 37.92681 1.000 39.95804 H ? A ? 76 HA 1
   ATOM 1484 HB1 . ALA A 77 ? 0.24598 43.49669 39.39103 1.000 49.33415 H ? A ? 76 HB1 1
   ATOM 1485 HB2 . ALA A 77 ? 0.15423 42.12944 40.19460 1.000 49.33415 H ? A ? 76 HB2 1
   ATOM 1486 HB3 . ALA A 77 ? 1.56968 42.79700 39.92184 1.000 49.33415 H ? A ? 76 HB3 1
   ATOM 1487 N B SER A 78 ? 2.85840 42.75834 37.28403 0.328 21.33408 N ? A ? 77 N 1
   ATOM 1488 CA B SER A 78 ? 3.65137 43.57153 36.35800 0.328 21.23112 C ? A ? 77 CA 1
   ATOM 1489 C B SER A 78 ? 3.54063 43.07233 34.91863 0.328 20.45278 C ? A ? 77 C 1
   ATOM 1490 O B SER A 78 ? 3.41740 43.87972 33.99140 0.328 18.78857 O ? A ? 77 O 1
   ATOM 1491 CB B SER A 78 ? 5.12198 43.58388 36.77573 0.328 26.62269 C ? A ? 77 CB 1
   ATOM 1492 OG B SER A 78 ? 5.94282 44.24440 35.82385 0.328 30.06064 O ? A ? 77 OG 1
   ATOM 1493 H B SER A 78 ? 3.33210 42.31996 37.85238 0.328 25.61354 H ? A ? 77 H 1
   ATOM 1494 HA B SER A 78 ? 3.30417 44.47630 36.39958 0.328 25.48999 H ? A ? 77 HA 1
   ATOM 1495 HB2 B SER A 78 ? 5.19956 44.04472 37.62574 0.328 31.95987 H ? A ? 77 HB2 1
   ATOM 1496 HB3 B SER A 78 ? 5.42691 42.66750 36.86613 0.328 31.95987 H ? A ? 77 HB3 1
   ATOM 1497 HG B SER A 78 ? 5.73855 45.05820 35.78384 0.328 36.08542 H ? A ? 77 HG 1
   ATOM 1498 N C SER A 78 ? 2.83545 42.79216 37.32198 0.672 20.71515 N ? A ? 77 N 1
   ATOM 1499 CA C SER A 78 ? 3.57320 43.61919 36.38346 0.672 20.40225 C ? A ? 77 CA 1
   ATOM 1500 C C SER A 78 ? 3.49369 43.06277 34.97773 0.672 19.99947 C ? A ? 77 C 1
   ATOM 1501 O C SER A 78 ? 3.51447 43.84966 34.00825 0.672 18.71152 O ? A ? 77 O 1
   ATOM 1502 CB C SER A 78 ? 5.03050 43.76202 36.77224 0.672 25.00893 C ? A ? 77 CB 1
   ATOM 1503 OG C SER A 78 ? 5.14154 44.61079 37.90359 0.672 22.23026 O ? A ? 77 OG 1
   ATOM 1504 H C SER A 78 ? 3.31533 42.38213 37.90609 0.672 24.87082 H ? A ? 77 H 1
   ATOM 1505 HA C SER A 78 ? 3.17030 44.50108 36.41250 0.672 24.49534 H ? A ? 77 HA 1
   ATOM 1506 HB2 C SER A 78 ? 5.39112 42.88837 36.99038 0.672 30.02336 H ? A ? 77 HB2 1
   ATOM 1507 HB3 C SER A 78 ? 5.52333 44.14890 36.03173 0.672 30.02336 H ? A ? 77 HB3 1
   ATOM 1508 HG C SER A 78 ? 4.65971 44.32174 38.52800 0.672 26.68895 H ? A ? 77 HG 1
   ATOM 1509 N B PHE A 79 ? 3.69542 41.75980 34.68901 0.328 18.47806 N ? A ? 78 N 1
   ATOM 1510 CA B PHE A 79 ? 3.48252 41.23719 33.33895 0.328 17.00248 C ? A ? 78 CA 1
   ATOM 1511 C B PHE A 79 ? 2.04740 41.46055 32.87334 0.328 15.60638 C ? A ? 78 C 1
   ATOM 1512 O B PHE A 79 ? 1.80979 41.72864 31.68788 0.328 16.21622 O ? A ? 78 O 1
   ATOM 1513 CB B PHE A 79 ? 3.87545 39.75082 33.29623 0.328 17.12608 C ? A ? 78 CB 1
   ATOM 1514 CG B PHE A 79 ? 3.94194 39.17589 31.91487 0.328 14.93614 C ? A ? 78 CG 1
   ATOM 1515 CD1 B PHE A 79 ? 5.03493 39.36817 31.06552 0.328 15.94650 C ? A ? 78 CD1 1
   ATOM 1516 CD2 B PHE A 79 ? 2.89134 38.44289 31.46360 0.328 16.47490 C ? A ? 78 CD2 1
   ATOM 1517 CE1 B PHE A 79 ? 5.03230 38.82809 29.77502 0.328 15.21026 C ? A ? 78 CE1 1
   ATOM 1518 CE2 B PHE A 79 ? 2.89199 37.90129 30.20622 0.328 17.44034 C ? A ? 78 CE2 1
   ATOM 1519 CZ B PHE A 79 ? 3.96921 38.07042 29.36264 0.328 14.65084 C ? A ? 78 CZ 1
   ATOM 1520 H B PHE A 79 ? 3.91551 41.17383 35.27875 0.328 22.18631 H ? A ? 78 H 1
   ATOM 1521 HA B PHE A 79 ? 4.05499 41.70970 32.71452 0.328 20.41562 H ? A ? 78 HA 1
   ATOM 1522 HB2 B PHE A 79 ? 4.75150 39.64936 33.70014 0.328 20.56394 H ? A ? 78 HB2 1
   ATOM 1523 HB3 B PHE A 79 ? 3.21861 39.24138 33.79616 0.328 20.56394 H ? A ? 78 HB3 1
   ATOM 1524 HD1 B PHE A 79 ? 5.76849 39.85814 31.35999 0.328 19.14844 H ? A ? 78 HD1 1
   ATOM 1525 HD2 B PHE A 79 ? 2.15798 38.30636 32.01899 0.328 19.78253 H ? A ? 78 HD2 1
   ATOM 1526 HE1 B PHE A 79 ? 5.74771 38.98267 29.20126 0.328 18.26496 H ? A ? 78 HE1 1
   ATOM 1527 HE2 B PHE A 79 ? 2.15552 37.41248 29.91713 0.328 20.94105 H ? A ? 78 HE2 1
   ATOM 1528 HZ B PHE A 79 ? 3.97368 37.67365 28.52154 0.328 17.59366 H ? A ? 78 HZ 1
   ATOM 1529 N C PHE A 79 ? 3.56164 41.72301 34.84331 0.672 17.57947 N ? A ? 78 N 1
   ATOM 1530 CA C PHE A 79 ? 3.40591 41.14980 33.51896 0.672 16.03613 C ? A ? 78 CA 1
   ATOM 1531 C C PHE A 79 ? 2.06554 41.49724 32.94866 0.672 15.44943 C ? A ? 78 C 1
   ATOM 1532 O C PHE A 79 ? 1.99957 41.91040 31.77165 0.672 16.70697 O ? A ? 78 O 1
   ATOM 1533 CB C PHE A 79 ? 3.65050 39.64226 33.51621 0.672 15.40547 C ? A ? 78 CB 1
   ATOM 1534 CG C PHE A 79 ? 3.68770 39.03589 32.14173 0.672 14.94968 C ? A ? 78 CG 1
   ATOM 1535 CD1 C PHE A 79 ? 4.74375 39.24638 31.27764 0.672 14.50538 C ? A ? 78 CD1 1
   ATOM 1536 CD2 C PHE A 79 ? 2.63735 38.30891 31.72748 0.672 15.54506 C ? A ? 78 CD2 1
   ATOM 1537 CE1 C PHE A 79 ? 4.73588 38.67978 29.99014 0.672 15.46826 C ? A ? 78 CE1 1
   ATOM 1538 CE2 C PHE A 79 ? 2.61437 37.73494 30.50531 0.672 16.53876 C ? A ? 78 CE2 1
   ATOM 1539 CZ C PHE A 79 ? 3.68449 37.90856 29.60892 0.672 15.40908 C ? A ? 78 CZ 1
   ATOM 1540 H C PHE A 79 ? 3.69141 41.16082 35.48104 0.672 21.10800 H ? A ? 78 H 1
   ATOM 1541 HA C PHE A 79 ? 4.08950 41.52696 32.94334 0.672 19.25600 H ? A ? 78 HA 1
   ATOM 1542 HB2 C PHE A 79 ? 4.50409 39.46427 33.94121 0.672 18.49920 H ? A ? 78 HB2 1
   ATOM 1543 HB3 C PHE A 79 ? 2.93698 39.20988 34.01102 0.672 18.49920 H ? A ? 78 HB3 1
   ATOM 1544 HD1 C PHE A 79 ? 5.46548 39.76649 31.54875 0.672 17.41910 H ? A ? 78 HD1 1
   ATOM 1545 HD2 C PHE A 79 ? 1.90913 38.19821 32.29523 0.672 18.66672 H ? A ? 78 HD2 1
   ATOM 1546 HE1 C PHE A 79 ? 5.44329 38.83160 29.40582 0.672 18.57456 H ? A ? 78 HE1 1
   ATOM 1547 HE2 C PHE A 79 ? 1.88276 37.21901 30.25340 0.672 19.85916 H ? A ? 78 HE2 1
   ATOM 1548 HZ C PHE A 79 ? 3.67245 37.50341 28.77189 0.672 18.50354 H ? A ? 78 HZ 1
   ATOM 1549 N B LYS A 80 ? 1.07787 41.35454 33.76922 0.328 17.85423 N ? A ? 79 N 1
   ATOM 1550 CA B LYS A 80 ? -0.30290 41.62399 33.37471 0.328 18.12853 C ? A ? 79 CA 1
   ATOM 1551 C B LYS A 80 ? -0.47015 43.06713 32.92669 0.328 17.10554 C ? A ? 79 C 1
   ATOM 1552 O B LYS A 80 ? -1.16099 43.34461 31.93423 0.328 17.25310 O ? A ? 79 O 1
   ATOM 1553 CB B LYS A 80 ? -1.25127 41.29846 34.52373 0.328 22.96507 C ? A ? 79 CB 1
   ATOM 1554 CG B LYS A 80 ? -2.71888 41.43155 34.18879 0.328 25.03330 C ? A ? 79 CG 1
   ATOM 1555 CD B LYS A 80 ? -3.53443 41.08902 35.43805 0.328 32.45664 C ? A ? 79 CD 1
   ATOM 1556 CE B LYS A 80 ? -5.02169 41.33913 35.24228 0.328 39.52736 C ? A ? 79 CE 1
   ATOM 1557 NZ B LYS A 80 ? -5.80329 41.05244 36.49489 0.328 38.12907 N ? A ? 79 NZ 1
   ATOM 1558 H B LYS A 80 ? 1.18535 41.13384 34.59344 0.328 21.43772 H ? A ? 79 H 1
   ATOM 1559 HA B LYS A 80 ? -0.53572 41.04932 32.62875 0.328 21.76688 H ? A ? 79 HA 1
   ATOM 1560 HB2 B LYS A 80 ? -1.09683 40.38165 34.80033 0.328 27.57072 H ? A ? 79 HB2 1
   ATOM 1561 HB3 B LYS A 80 ? -1.06351 41.90287 35.25880 0.328 27.57072 H ? A ? 79 HB3 1
   ATOM 1562 HG2 B LYS A 80 ? -2.91755 42.34206 33.91971 0.328 30.05260 H ? A ? 79 HG2 1
   ATOM 1563 HG3 B LYS A 80 ? -2.95488 40.81627 33.47700 0.328 30.05260 H ? A ? 79 HG3 1
   ATOM 1564 HD2 B LYS A 80 ? -3.41190 40.15060 35.65078 0.328 38.96061 H ? A ? 79 HD2 1
   ATOM 1565 HD3 B LYS A 80 ? -3.23087 41.63911 36.17708 0.328 38.96061 H ? A ? 79 HD3 1
   ATOM 1566 HE2 B LYS A 80 ? -5.16144 42.26858 35.00252 0.328 47.44548 H ? A ? 79 HE2 1
   ATOM 1567 HE3 B LYS A 80 ? -5.35372 40.76118 34.53755 0.328 47.44548 H ? A ? 79 HE3 1
   ATOM 1568 HZ1 B LYS A 80 ? -6.67005 41.19565 36.35233 0.328 45.76752 H ? A ? 79 HZ1 1
   ATOM 1569 HZ2 B LYS A 80 ? -5.68694 40.20450 36.73892 0.328 45.76752 H ? A ? 79 HZ2 1
   ATOM 1570 HZ3 B LYS A 80 ? -5.52743 41.58312 37.15397 0.328 45.76752 H ? A ? 79 HZ3 1
   ATOM 1571 N C LYS A 80 ? 1.01078 41.31965 33.73930 0.672 17.95054 N ? A ? 79 N 1
   ATOM 1572 CA C LYS A 80 ? -0.35244 41.64335 33.33566 0.672 18.00069 C ? A ? 79 CA 1
   ATOM 1573 C C LYS A 80 ? -0.46939 43.09324 32.89835 0.672 17.14920 C ? A ? 79 C 1
   ATOM 1574 O C LYS A 80 ? -1.05108 43.39973 31.85064 0.672 16.77420 O ? A ? 79 O 1
   ATOM 1575 CB C LYS A 80 ? -1.36370 41.30150 34.43835 0.672 21.75543 C ? A ? 79 CB 1
   ATOM 1576 CG C LYS A 80 ? -2.80477 41.39583 33.94790 0.672 21.46317 C ? A ? 79 CG 1
   ATOM 1577 CD C LYS A 80 ? -3.74292 40.86614 35.01449 0.672 30.64941 C ? A ? 79 CD 1
   ATOM 1578 CE C LYS A 80 ? -5.19067 41.08324 34.62248 0.672 39.15968 C ? A ? 79 CE 1
   ATOM 1579 NZ C LYS A 80 ? -6.12155 40.58556 35.70738 0.672 40.87798 N ? A ? 79 NZ 1
   ATOM 1580 H C LYS A 80 ? 1.05803 41.00395 34.53786 0.672 21.55329 H ? A ? 79 H 1
   ATOM 1581 HA C LYS A 80 ? -0.58183 41.08570 32.57585 0.672 21.61348 H ? A ? 79 HA 1
   ATOM 1582 HB2 C LYS A 80 ? -1.20654 40.39428 34.74358 0.672 26.11916 H ? A ? 79 HB2 1
   ATOM 1583 HB3 C LYS A 80 ? -1.25320 41.92312 35.17475 0.672 26.11916 H ? A ? 79 HB3 1
   ATOM 1584 HG2 C LYS A 80 ? -3.02955 42.32171 33.76589 0.672 25.76844 H ? A ? 79 HG2 1
   ATOM 1585 HG3 C LYS A 80 ? -2.91336 40.86388 33.14408 0.672 25.76844 H ? A ? 79 HG3 1
   ATOM 1586 HD2 C LYS A 80 ? -3.59589 39.91436 35.13029 0.672 36.79194 H ? A ? 79 HD2 1
   ATOM 1587 HD3 C LYS A 80 ? -3.57816 41.33130 35.84957 0.672 36.79194 H ? A ? 79 HD3 1
   ATOM 1588 HE2 C LYS A 80 ? -5.35152 42.03049 34.48926 0.672 47.00426 H ? A ? 79 HE2 1
   ATOM 1589 HE3 C LYS A 80 ? -5.38150 40.59622 33.80560 0.672 47.00426 H ? A ? 79 HE3 1
   ATOM 1590 HZ1 C LYS A 80 ? -6.96811 40.71418 35.46471 0.672 49.06622 H ? A ? 79 HZ1 1
   ATOM 1591 HZ2 C LYS A 80 ? -5.98979 39.71642 35.84643 0.672 49.06622 H ? A ? 79 HZ2 1
   ATOM 1592 HZ3 C LYS A 80 ? -5.96833 41.02585 36.46552 0.672 49.06622 H ? A ? 79 HZ3 1
   ATOM 1593 N . GLN A 81 ? 0.16456 44.00437 33.63744 1.000 17.32894 N ? A ? 80 N 1
   ATOM 1594 CA . GLN A 81 ? 0.10832 45.41024 33.21220 1.000 16.89667 C ? A ? 80 CA 1
   ATOM 1595 C . GLN A 81 ? 0.65471 45.56024 31.84766 1.000 16.06464 C ? A ? 80 C 1
   ATOM 1596 O . GLN A 81 ? 0.10216 46.31206 31.01331 1.000 16.73911 O ? A ? 80 O 1
   ATOM 1597 CB . GLN A 81 ? 0.86734 46.33788 34.16073 1.000 19.43350 C ? A ? 80 CB 1
   ATOM 1598 CG . GLN A 81 ? 0.12123 46.61202 35.47324 1.000 25.88607 C ? A ? 80 CG 1
   ATOM 1599 CD . GLN A 81 ? -1.14400 47.52635 35.35710 1.000 43.01174 C ? A ? 80 CD 1
   ATOM 1600 OE1 . GLN A 81 ? -1.16602 48.62943 34.70927 1.000 25.33557 O ? A ? 80 OE1 1
   ATOM 1601 NE2 . GLN A 81 ? -2.21190 47.06879 36.02891 1.000 40.81403 N ? A ? 80 NE2 1
   ATOM 1602 HA . GLN A 81 ? -0.82339 45.67915 33.23462 1.000 20.28864 H ? A ? 80 HA 1
   ATOM 1603 HB2 . GLN A 81 ? 1.71914 45.93013 34.38230 1.000 23.33284 H ? A ? 80 HB2 1
   ATOM 1604 HB3 . GLN A 81 ? 1.01201 47.18848 33.71751 1.000 23.33284 H ? A ? 80 HB3 1
   ATOM 1605 HG2 . GLN A 81 ? -0.17058 45.76312 35.84082 1.000 31.07593 H ? A ? 80 HG2 1
   ATOM 1606 HG3 . GLN A 81 ? 0.73407 47.04623 36.08708 1.000 31.07593 H ? A ? 80 HG3 1
   ATOM 1607 HE21 . GLN A 81 ? -2.15903 46.33285 36.47072 1.000 48.98947 H ? A ? 80 HE21 1
   ATOM 1608 HE22 . GLN A 81 ? -2.94910 47.51153 36.01761 1.000 48.98947 H ? A ? 80 HE22 1
   ATOM 1609 H B GLN A 81 ? 0.62285 43.85939 34.35056 0.328 20.80737 H ? A ? 80 H 1
   ATOM 1610 H C GLN A 81 ? 0.61294 43.84686 34.35420 0.672 20.80737 H ? A ? 80 H 1
   ATOM 1611 N . LYS A 82 ? 1.78467 44.86670 31.55538 1.000 16.41799 N ? A ? 81 N 1
   ATOM 1612 CA . LYS A 82 ? 2.39826 45.07594 30.26673 1.000 16.77711 C ? A ? 81 CA 1
   ATOM 1613 C . LYS A 82 ? 1.54996 44.53171 29.10141 1.000 15.87640 C ? A ? 81 C 1
   ATOM 1614 O . LYS A 82 ? 1.48519 45.15709 28.02978 1.000 15.05661 O ? A ? 81 O 1
   ATOM 1615 CB . LYS A 82 ? 3.81295 44.50787 30.21150 1.000 18.76711 C ? A ? 81 CB 1
   ATOM 1616 CG . LYS A 82 ? 4.88583 45.30753 31.05355 1.000 18.23483 C ? A ? 81 CG 1
   ATOM 1617 CD . LYS A 82 ? 6.16822 45.17368 30.44699 1.000 17.64882 C ? A ? 81 CD 1
   ATOM 1618 CE . LYS A 82 ? 7.31912 45.56117 31.32366 1.000 24.48086 C ? A ? 81 CE 1
   ATOM 1619 NZ . LYS A 82 ? 7.32037 47.08675 31.84529 1.000 18.59146 N ? A ? 81 NZ 1
   ATOM 1620 H . LYS A 82 ? 2.17829 44.30393 32.07302 1.000 19.71423 H ? A ? 81 H 1
   ATOM 1621 HA . LYS A 82 ? 2.46820 46.03658 30.15197 1.000 20.14517 H ? A ? 81 HA 1
   ATOM 1622 HB2 . LYS A 82 ? 3.79298 43.60003 30.55258 1.000 22.53318 H ? A ? 81 HB2 1
   ATOM 1623 HB3 . LYS A 82 ? 4.10848 44.50874 29.28762 1.000 22.53318 H ? A ? 81 HB3 1
   ATOM 1624 HG2 . LYS A 82 ? 4.64875 46.24776 31.07907 1.000 21.89444 H ? A ? 81 HG2 1
   ATOM 1625 HG3 . LYS A 82 ? 4.92768 44.95136 31.95483 1.000 21.89444 H ? A ? 81 HG3 1
   ATOM 1626 HD2 . LYS A 82 ? 6.29478 44.24599 30.19348 1.000 21.19122 H ? A ? 81 HD2 1
   ATOM 1627 HD3 . LYS A 82 ? 6.19830 45.73977 29.65988 1.000 21.19122 H ? A ? 81 HD3 1
   ATOM 1628 HE2 . LYS A 82 ? 7.31072 44.99003 32.10764 1.000 29.38967 H ? A ? 81 HE2 1
   ATOM 1629 HE3 . LYS A 82 ? 8.14035 45.42795 30.82492 1.000 29.38967 H ? A ? 81 HE3 1
   ATOM 1630 HZ1 . LYS A 82 ? 8.02364 47.22771 32.37222 1.000 22.32240 H ? A ? 81 HZ1 1
   ATOM 1631 HZ2 . LYS A 82 ? 7.36139 47.64501 31.15336 1.000 22.32240 H ? A ? 81 HZ2 1
   ATOM 1632 HZ3 . LYS A 82 ? 6.57680 47.25162 32.30575 1.000 22.32240 H ? A ? 81 HZ3 1
   ATOM 1633 N A GLN A 83 ? 0.94329 43.35388 29.25023 0.727 14.76658 N ? A ? 82 N 1
   ATOM 1634 CA A GLN A 83 ? 0.13219 42.84227 28.13997 0.727 14.14342 C ? A ? 82 CA 1
   ATOM 1635 C A GLN A 83 ? -1.13596 43.66378 27.98000 0.727 14.77278 C ? A ? 82 C 1
   ATOM 1636 O A GLN A 83 ? -1.55425 43.89198 26.86084 0.727 14.32804 O ? A ? 82 O 1
   ATOM 1637 CB A GLN A 83 ? -0.16449 41.29132 28.23003 0.727 15.30410 C ? A ? 82 CB 1
   ATOM 1638 CG A GLN A 83 ? -0.91819 40.77805 29.44123 0.727 17.38369 C ? A ? 82 CG 1
   ATOM 1639 CD A GLN A 83 ? -2.36646 40.70816 29.31139 0.727 15.62684 C ? A ? 82 CD 1
   ATOM 1640 OE1 A GLN A 83 ? -2.98806 41.31047 28.42323 0.727 14.84618 O ? A ? 82 OE1 1
   ATOM 1641 NE2 A GLN A 83 ? -2.99449 39.91402 30.22766 0.727 18.07701 N ? A ? 82 NE2 1
   ATOM 1642 H A GLN A 83 ? 0.98152 42.85342 29.94857 0.727 17.73254 H ? A ? 82 H 1
   ATOM 1643 HA A GLN A 83 ? 0.65901 42.92301 27.32951 0.727 16.98475 H ? A ? 82 HA 1
   ATOM 1644 HB2 A GLN A 83 ? -0.68934 41.04583 27.45211 0.727 18.37756 H ? A ? 82 HB2 1
   ATOM 1645 HB3 A GLN A 83 ? 0.68699 40.82690 28.21579 0.727 18.37756 H ? A ? 82 HB3 1
   ATOM 1646 HG2 A GLN A 83 ? -0.60513 39.88071 29.63535 0.727 20.87307 H ? A ? 82 HG2 1
   ATOM 1647 HG3 A GLN A 83 ? -0.72641 41.36535 30.18902 0.727 20.87307 H ? A ? 82 HG3 1
   ATOM 1648 HE21 A GLN A 83 ? -2.53455 39.49972 30.82467 0.727 21.70505 H ? A ? 82 HE21 1
   ATOM 1649 HE22 A GLN A 83 ? -3.84996 39.82816 30.20772 0.727 21.70505 H ? A ? 82 HE22 1
   ATOM 1650 N B GLN A 83 ? 0.94075 43.36139 29.27017 0.273 14.98678 N ? A ? 82 N 1
   ATOM 1651 CA B GLN A 83 ? 0.09391 42.82298 28.21081 0.273 14.20688 C ? A ? 82 CA 1
   ATOM 1652 C B GLN A 83 ? -1.20946 43.61156 28.09175 0.273 14.88471 C ? A ? 82 C 1
   ATOM 1653 O B GLN A 83 ? -1.74394 43.77434 26.99559 0.273 14.05347 O ? A ? 82 O 1
   ATOM 1654 CB B GLN A 83 ? -0.15204 41.31583 28.43194 0.273 15.24108 C ? A ? 82 CB 1
   ATOM 1655 CG B GLN A 83 ? -0.85361 40.92285 29.73729 0.273 18.06640 C ? A ? 82 CG 1
   ATOM 1656 CD B GLN A 83 ? -2.31897 40.61996 29.58964 0.273 17.41859 C ? A ? 82 CD 1
   ATOM 1657 OE1 B GLN A 83 ? -3.06972 41.38999 29.01885 0.273 18.53007 O ? A ? 82 OE1 1
   ATOM 1658 NE2 B GLN A 83 ? -2.73759 39.45137 30.07226 0.273 22.09357 N ? A ? 82 NE2 1
   ATOM 1659 H B GLN A 83 ? 0.99946 42.86928 29.97301 0.273 17.99678 H ? A ? 82 H 1
   ATOM 1660 HA B GLN A 83 ? 0.55133 42.89966 27.35888 0.273 17.06089 H ? A ? 82 HA 1
   ATOM 1661 HB2 B GLN A 83 ? -0.70352 40.99042 27.70332 0.273 18.30194 H ? A ? 82 HB2 1
   ATOM 1662 HB3 B GLN A 83 ? 0.70729 40.86596 28.42411 0.273 18.30194 H ? A ? 82 HB3 1
   ATOM 1663 HG2 B GLN A 83 ? -0.42483 40.12842 30.09214 0.273 21.69232 H ? A ? 82 HG2 1
   ATOM 1664 HG3 B GLN A 83 ? -0.76819 41.65544 30.36730 0.273 21.69232 H ? A ? 82 HG3 1
   ATOM 1665 HE21 B GLN A 83 ? -2.17825 38.91484 30.44492 0.273 26.52492 H ? A ? 82 HE21 1
   ATOM 1666 HE22 B GLN A 83 ? -3.56724 39.23331 30.01125 0.273 26.52492 H ? A ? 82 HE22 1
   ATOM 1667 N A GLN A 84 ? -1.71773 44.11107 29.10093 0.727 15.58686 N ? A ? 83 N 1
   ATOM 1668 CA A GLN A 84 ? -2.94476 44.93588 29.03996 0.727 15.30933 C ? A ? 83 CA 1
   ATOM 1669 C A GLN A 84 ? -2.65181 46.28330 28.41959 0.727 16.62821 C ? A ? 83 C 1
   ATOM 1670 O A GLN A 84 ? -3.45491 46.81003 27.61931 0.727 16.18886 O ? A ? 83 O 1
   ATOM 1671 CB A GLN A 84 ? -3.50976 45.12785 30.45497 0.727 17.22384 C ? A ? 83 CB 1
   ATOM 1672 CG A GLN A 84 ? -4.15085 43.85413 30.93515 0.727 22.12184 C ? A ? 83 CG 1
   ATOM 1673 CD A GLN A 84 ? -5.45475 43.98230 31.63738 0.727 51.08462 C ? A ? 83 CD 1
   ATOM 1674 OE1 A GLN A 84 ? -5.48375 44.04567 32.87429 0.727 54.59037 O ? A ? 83 OE1 1
   ATOM 1675 NE2 A GLN A 84 ? -6.55736 43.97197 30.87826 0.727 43.45146 N ? A ? 83 NE2 1
   ATOM 1676 H A GLN A 84 ? -1.43205 43.95729 29.89739 0.727 18.71687 H ? A ? 83 H 1
   ATOM 1677 HA A GLN A 84 ? -3.60853 44.47931 28.49972 0.727 18.38384 H ? A ? 83 HA 1
   ATOM 1678 HB2 A GLN A 84 ? -2.79163 45.36326 31.06306 0.727 20.68125 H ? A ? 83 HB2 1
   ATOM 1679 HB3 A GLN A 84 ? -4.17981 45.82917 30.44557 0.727 20.68125 H ? A ? 83 HB3 1
   ATOM 1680 HG2 A GLN A 84 ? -4.29993 43.28401 30.16467 0.727 26.55885 H ? A ? 83 HG2 1
   ATOM 1681 HG3 A GLN A 84 ? -3.53868 43.42409 31.55258 0.727 26.55885 H ? A ? 83 HG3 1
   ATOM 1682 HE21 A GLN A 84 ? -6.49084 43.89364 30.02442 0.727 52.15440 H ? A ? 83 HE21 1
   ATOM 1683 HE22 A GLN A 84 ? -7.33220 44.04365 31.24442 0.727 52.15440 H ? A ? 83 HE22 1
   ATOM 1684 N B GLN A 84 ? -1.72428 44.11892 29.20637 0.273 15.73617 N ? A ? 83 N 1
   ATOM 1685 CA B GLN A 84 ? -2.94522 44.92453 29.14356 0.273 15.54660 C ? A ? 83 CA 1
   ATOM 1686 C B GLN A 84 ? -2.68090 46.25325 28.45833 0.273 16.62516 C ? A ? 83 C 1
   ATOM 1687 O B GLN A 84 ? -3.53136 46.74387 27.70176 0.273 16.01649 O ? A ? 83 O 1
   ATOM 1688 CB B GLN A 84 ? -3.46018 45.16436 30.55853 0.273 18.51267 C ? A ? 83 CB 1
   ATOM 1689 CG B GLN A 84 ? -4.11244 43.93513 31.16320 0.273 25.95930 C ? A ? 83 CG 1
   ATOM 1690 CD B GLN A 84 ? -4.45602 44.09259 32.63761 0.273 35.42256 C ? A ? 83 CD 1
   ATOM 1691 OE1 B GLN A 84 ? -5.51669 43.65225 33.07780 0.273 48.25548 O ? A ? 83 OE1 1
   ATOM 1692 NE2 B GLN A 84 ? -3.55328 44.70573 33.41206 0.273 31.10128 N ? A ? 83 NE2 1
   ATOM 1693 H B GLN A 84 ? -1.39692 44.01632 29.99498 0.273 18.89605 H ? A ? 83 H 1
   ATOM 1694 HA B GLN A 84 ? -3.62128 44.44662 28.63814 0.273 18.66857 H ? A ? 83 HA 1
   ATOM 1695 HB2 B GLN A 84 ? -2.71601 45.41921 31.12611 0.273 22.22785 H ? A ? 83 HB2 1
   ATOM 1696 HB3 B GLN A 84 ? -4.12017 45.87491 30.53785 0.273 22.22785 H ? A ? 83 HB3 1
   ATOM 1697 HG2 B GLN A 84 ? -4.93579 43.75024 30.68486 0.273 31.16380 H ? A ? 83 HG2 1
   ATOM 1698 HG3 B GLN A 84 ? -3.50404 43.18437 31.07893 0.273 31.16380 H ? A ? 83 HG3 1
   ATOM 1699 HE21 B GLN A 84 ? -2.81707 44.99092 33.07110 0.273 37.33418 H ? A ? 83 HE21 1
   ATOM 1700 HE22 B GLN A 84 ? -3.70933 44.81458 34.25075 0.273 37.33418 H ? A ? 83 HE22 1
   ATOM 1701 N . ALA A 85 ? -1.52088 46.84329 28.72506 1.000 15.39788 N ? A ? 84 N 1
   ATOM 1702 CA . ALA A 85 ? -1.12359 48.10619 28.11136 1.000 16.23796 C ? A ? 84 CA 1
   ATOM 1703 C . ALA A 85 ? -0.87586 47.91424 26.61928 1.000 16.37250 C ? A ? 84 C 1
   ATOM 1704 O . ALA A 85 ? -1.31364 48.72841 25.78927 1.000 15.41951 O ? A ? 84 O 1
   ATOM 1705 CB . ALA A 85 ? 0.15101 48.65846 28.77115 1.000 16.81266 C ? A ? 84 CB 1
   ATOM 1706 HA . ALA A 85 ? -1.83638 48.75004 28.24655 1.000 19.49820 H ? A ? 84 HA 1
   ATOM 1707 HB1 . ALA A 85 ? 0.38319 49.50211 28.35251 1.000 20.18783 H ? A ? 84 HB1 1
   ATOM 1708 HB2 . ALA A 85 ? -0.01613 48.79352 29.71705 1.000 20.18783 H ? A ? 84 HB2 1
   ATOM 1709 HB3 . ALA A 85 ? 0.87120 48.02000 28.65036 1.000 20.18783 H ? A ? 84 HB3 1
   ATOM 1710 H A ALA A 85 ? -0.95100 46.52504 29.28502 0.727 18.49010 H ? A ? 84 H 1
   ATOM 1711 H B ALA A 85 ? -0.93306 46.52846 29.26816 0.273 18.49010 H ? A ? 84 H 1
   ATOM 1712 N A PHE A 86 ? -0.14356 46.84695 26.22067 0.625 14.87215 N ? A ? 85 N 1
   ATOM 1713 CA A PHE A 86 ? 0.00062 46.52063 24.79817 0.625 13.72872 C ? A ? 85 CA 1
   ATOM 1714 C A PHE A 86 ? -1.35677 46.39592 24.11884 0.625 13.11035 C ? A ? 85 C 1
   ATOM 1715 O A PHE A 86 ? -1.58218 46.95129 23.05545 0.625 13.08771 O ? A ? 85 O 1
   ATOM 1716 CB A PHE A 86 ? 0.76686 45.21492 24.68421 0.625 13.53324 C ? A ? 85 CB 1
   ATOM 1717 CG A PHE A 86 ? 0.59813 44.52336 23.34536 0.625 13.29418 C ? A ? 85 CG 1
   ATOM 1718 CD1 A PHE A 86 ? 1.09869 45.03673 22.16741 0.625 14.07880 C ? A ? 85 CD1 1
   ATOM 1719 CD2 A PHE A 86 ? -0.08869 43.34809 23.29130 0.625 13.03993 C ? A ? 85 CD2 1
   ATOM 1720 CE1 A PHE A 86 ? 0.90516 44.42890 20.96639 0.625 14.54274 C ? A ? 85 CE1 1
   ATOM 1721 CE2 A PHE A 86 ? -0.30178 42.70226 22.08389 0.625 13.14446 C ? A ? 85 CE2 1
   ATOM 1722 CZ A PHE A 86 ? 0.24543 43.23272 20.92526 0.625 14.46599 C ? A ? 85 CZ 1
   ATOM 1723 H A PHE A 86 ? 0.26932 46.31047 26.75108 0.625 17.85923 H ? A ? 85 H 1
   ATOM 1724 HA A PHE A 86 ? 0.49159 47.22627 24.34881 0.625 16.48711 H ? A ? 85 HA 1
   ATOM 1725 HB2 A PHE A 86 ? 1.71186 45.39598 24.80704 0.625 16.25253 H ? A ? 85 HB2 1
   ATOM 1726 HB3 A PHE A 86 ? 0.45312 44.60794 25.37272 0.625 16.25253 H ? A ? 85 HB3 1
   ATOM 1727 HD1 A PHE A 86 ? 1.58668 45.82792 22.19538 0.625 16.90721 H ? A ? 85 HD1 1
   ATOM 1728 HD2 A PHE A 86 ? -0.41927 42.97387 24.07589 0.625 15.66056 H ? A ? 85 HD2 1
   ATOM 1729 HE1 A PHE A 86 ? 1.21756 44.82193 20.18355 0.625 17.46393 H ? A ? 85 HE1 1
   ATOM 1730 HE2 A PHE A 86 ? -0.80622 41.92165 22.05093 0.625 15.78599 H ? A ? 85 HE2 1
   ATOM 1731 HZ A PHE A 86 ? 0.16345 42.77440 20.12019 0.625 17.37183 H ? A ? 85 HZ 1
   ATOM 1732 N B PHE A 86 ? -0.23207 46.79882 26.24544 0.375 14.76029 N ? A ? 85 N 1
   ATOM 1733 CA B PHE A 86 ? -0.06647 46.48062 24.82835 0.375 13.67211 C ? A ? 85 CA 1
   ATOM 1734 C B PHE A 86 ? -1.42303 46.34659 24.16396 0.375 13.21022 C ? A ? 85 C 1
   ATOM 1735 O B PHE A 86 ? -1.66027 46.88305 23.08990 0.375 12.91336 O ? A ? 85 O 1
   ATOM 1736 CB B PHE A 86 ? 0.71302 45.16626 24.68329 0.375 13.40523 C ? A ? 85 CB 1
   ATOM 1737 CG B PHE A 86 ? 0.71221 44.63479 23.29931 0.375 12.86033 C ? A ? 85 CG 1
   ATOM 1738 CD1 B PHE A 86 ? 1.41348 45.26970 22.35231 0.375 13.61124 C ? A ? 85 CD1 1
   ATOM 1739 CD2 B PHE A 86 ? -0.02669 43.49108 22.95384 0.375 12.61524 C ? A ? 85 CD2 1
   ATOM 1740 CE1 B PHE A 86 ? 1.36008 44.82504 21.09721 0.375 12.18462 C ? A ? 85 CE1 1
   ATOM 1741 CE2 B PHE A 86 ? -0.05092 43.02038 21.68795 0.375 14.73584 C ? A ? 85 CE2 1
   ATOM 1742 CZ B PHE A 86 ? 0.63584 43.68916 20.74108 0.375 14.09175 C ? A ? 85 CZ 1
   ATOM 1743 H B PHE A 86 ? 0.11026 46.22320 26.78495 0.375 17.72499 H ? A ? 85 H 1
   ATOM 1744 HA B PHE A 86 ? 0.43468 47.18890 24.39465 0.375 16.41918 H ? A ? 85 HA 1
   ATOM 1745 HB2 B PHE A 86 ? 1.63497 45.31778 24.94395 0.375 16.09891 H ? A ? 85 HB2 1
   ATOM 1746 HB3 B PHE A 86 ? 0.31089 44.49769 25.25966 0.375 16.09891 H ? A ? 85 HB3 1
   ATOM 1747 HD1 B PHE A 86 ? 1.93132 46.01161 22.56749 0.375 16.34614 H ? A ? 85 HD1 1
   ATOM 1748 HD2 B PHE A 86 ? -0.51074 43.04738 23.61242 0.375 15.15093 H ? A ? 85 HD2 1
   ATOM 1749 HE1 B PHE A 86 ? 1.82197 45.28867 20.43645 0.375 14.63419 H ? A ? 85 HE1 1
   ATOM 1750 HE2 B PHE A 86 ? -0.53046 42.25256 21.47491 0.375 17.69566 H ? A ? 85 HE2 1
   ATOM 1751 HZ B PHE A 86 ? 0.62657 43.39559 19.85868 0.375 16.92274 H ? A ? 85 HZ 1
   ATOM 1752 N A GLN A 87 ? -2.29422 45.67507 24.72900 0.625 13.06139 N ? A ? 86 N 1
   ATOM 1753 CA A GLN A 87 ? -3.58880 45.50853 24.04183 0.625 13.04685 C ? A ? 86 CA 1
   ATOM 1754 C A GLN A 87 ? -4.38862 46.82336 23.94847 0.625 12.97560 C ? A ? 86 C 1
   ATOM 1755 O A GLN A 87 ? -5.07531 47.04860 22.95246 0.625 12.94403 O ? A ? 86 O 1
   ATOM 1756 CB A GLN A 87 ? -4.44127 44.41252 24.66747 0.625 14.68339 C ? A ? 86 CB 1
   ATOM 1757 CG A GLN A 87 ? -3.84423 43.00008 24.40213 0.625 12.60921 C ? A ? 86 CG 1
   ATOM 1758 CD A GLN A 87 ? -4.85259 41.94848 24.78604 0.625 13.20595 C ? A ? 86 CD 1
   ATOM 1759 OE1 A GLN A 87 ? -5.82797 41.72936 24.05120 0.625 12.05946 O ? A ? 86 OE1 1
   ATOM 1760 NE2 A GLN A 87 ? -4.69432 41.26149 25.94455 0.625 12.16665 N ? A ? 86 NE2 1
   ATOM 1761 H A GLN A 87 ? -2.21851 45.29152 25.49500 0.625 15.68631 H ? A ? 86 H 1
   ATOM 1762 HA A GLN A 87 ? -3.38252 45.21914 23.13927 0.625 15.66887 H ? A ? 86 HA 1
   ATOM 1763 HB2 A GLN A 87 ? -4.48562 44.54985 25.62667 0.625 17.63271 H ? A ? 86 HB2 1
   ATOM 1764 HB3 A GLN A 87 ? -5.33271 44.44358 24.28631 0.625 17.63271 H ? A ? 86 HB3 1
   ATOM 1765 HG2 A GLN A 87 ? -3.63379 42.90389 23.46014 0.625 15.14370 H ? A ? 86 HG2 1
   ATOM 1766 HG3 A GLN A 87 ? -3.04341 42.87633 24.93530 0.625 15.14370 H ? A ? 86 HG3 1
   ATOM 1767 HE21 A GLN A 87 ? -4.02189 41.42733 26.45439 0.625 14.61262 H ? A ? 86 HE21 1
   ATOM 1768 HE22 A GLN A 87 ? -5.26638 40.65999 26.16937 0.625 14.61262 H ? A ? 86 HE22 1
   ATOM 1769 N B GLN A 87 ? -2.33629 45.63568 24.82150 0.375 13.10297 N ? A ? 86 N 1
   ATOM 1770 CA B GLN A 87 ? -3.65758 45.44108 24.24837 0.375 13.00388 C ? A ? 86 CA 1
   ATOM 1771 C B GLN A 87 ? -4.42613 46.76322 24.11472 0.375 13.58290 C ? A ? 86 C 1
   ATOM 1772 O B GLN A 87 ? -5.17964 46.94557 23.21469 0.375 12.30782 O ? A ? 86 O 1
   ATOM 1773 CB B GLN A 87 ? -4.42508 44.41115 25.05463 0.375 14.42167 C ? A ? 86 CB 1
   ATOM 1774 CG B GLN A 87 ? -3.75873 43.02187 24.96773 0.375 11.99709 C ? A ? 86 CG 1
   ATOM 1775 CD B GLN A 87 ? -4.65890 41.95359 25.46973 0.375 14.97734 C ? A ? 86 CD 1
   ATOM 1776 OE1 B GLN A 87 ? -5.66045 41.54378 24.83139 0.375 17.80578 O ? A ? 86 OE1 1
   ATOM 1777 NE2 B GLN A 87 ? -4.38004 41.55770 26.68294 0.375 18.25469 N ? A ? 86 NE2 1
   ATOM 1778 H B GLN A 87 ? -2.21588 45.26312 25.58720 0.375 15.73621 H ? A ? 86 H 1
   ATOM 1779 HA B GLN A 87 ? -3.56756 45.08572 23.35031 0.375 15.61730 H ? A ? 86 HA 1
   ATOM 1780 HB2 B GLN A 87 ? -4.44697 44.68302 25.98549 0.375 17.31865 H ? A ? 86 HB2 1
   ATOM 1781 HB3 B GLN A 87 ? -5.32841 44.34013 24.70842 0.375 17.31865 H ? A ? 86 HB3 1
   ATOM 1782 HG2 B GLN A 87 ? -3.54111 42.82775 24.04260 0.375 14.40915 H ? A ? 86 HG2 1
   ATOM 1783 HG3 B GLN A 87 ? -2.95180 43.01887 25.50602 0.375 14.40915 H ? A ? 86 HG3 1
   ATOM 1784 HE21 B GLN A 87 ? -3.72487 41.91365 27.11148 0.375 21.91827 H ? A ? 86 HE21 1
   ATOM 1785 HE22 B GLN A 87 ? -4.85163 40.94113 27.05313 0.375 21.91827 H ? A ? 86 HE22 1
   ATOM 1786 N . ASP A 88 ? -4.18616 47.71412 24.96659 1.000 12.53735 N ? A ? 87 N 1
   ATOM 1787 CA . ASP A 88 ? -4.75096 49.05683 24.83520 1.000 13.13296 C ? A ? 87 CA 1
   ATOM 1788 C . ASP A 88 ? -4.11681 49.83098 23.75126 1.000 13.23806 C ? A ? 87 C 1
   ATOM 1789 O . ASP A 88 ? -4.80335 50.64447 23.10462 1.000 13.96908 O ? A ? 87 O 1
   ATOM 1790 CB . ASP A 88 ? -4.76295 49.76337 26.18331 1.000 15.70385 C ? A ? 87 CB 1
   ATOM 1791 CG . ASP A 88 ? -5.94381 49.24834 27.04957 1.000 17.78803 C ? A ? 87 CG 1
   ATOM 1792 OD1 . ASP A 88 ? -6.91464 48.58136 26.49983 1.000 19.01206 O ? A ? 87 OD1 1
   ATOM 1793 OD2 . ASP A 88 ? -5.98367 49.60404 28.20152 1.000 19.55060 O ? A ? 87 OD2 1
   ATOM 1794 HA . ASP A 88 ? -5.68354 48.99128 24.57655 1.000 15.77219 H ? A ? 87 HA 1
   ATOM 1795 HB2 . ASP A 88 ? -3.93283 49.58445 26.65214 1.000 18.85726 H ? A ? 87 HB2 1
   ATOM 1796 HB3 . ASP A 88 ? -4.86931 50.71821 26.04962 1.000 18.85726 H ? A ? 87 HB3 1
   ATOM 1797 H A ASP A 88 ? -3.75030 47.55904 25.69155 0.625 15.05746 H ? A ? 87 H 1
   ATOM 1798 H B ASP A 88 ? -3.68491 47.62405 25.65958 0.375 15.05746 H ? A ? 87 H 1
   ATOM 1799 N . ASN A 89 ? -2.83383 49.67424 23.48479 1.000 13.00243 N ? A ? 88 N 1
   ATOM 1800 CA . ASN A 89 ? -2.21288 50.29837 22.33544 1.000 14.15448 C ? A ? 88 CA 1
   ATOM 1801 C . ASN A 89 ? -2.83478 49.75592 21.07301 1.000 14.66135 C ? A ? 88 C 1
   ATOM 1802 O . ASN A 89 ? -3.05615 50.49291 20.09009 1.000 15.93253 O ? A ? 88 O 1
   ATOM 1803 CB . ASN A 89 ? -0.68957 50.10841 22.34803 1.000 14.29120 C ? A ? 88 CB 1
   ATOM 1804 CG . ASN A 89 ? 0.13209 51.05290 23.35738 1.000 15.40595 C ? A ? 88 CG 1
   ATOM 1805 OD1 . ASN A 89 ? 0.84189 51.97273 22.88864 1.000 18.61955 O ? A ? 88 OD1 1
   ATOM 1806 ND2 . ASN A 89 ? 0.08525 50.84382 24.60133 1.000 15.77962 N ? A ? 88 ND2 1
   ATOM 1807 H . ASN A 89 ? -2.29223 49.20484 23.96011 1.000 15.61555 H ? A ? 88 H 1
   ATOM 1808 HA . ASN A 89 ? -2.35557 51.25720 22.37002 1.000 16.99802 H ? A ? 88 HA 1
   ATOM 1809 HB2 . ASN A 89 ? -0.50049 49.19042 22.59791 1.000 17.16208 H ? A ? 88 HB2 1
   ATOM 1810 HB3 . ASN A 89 ? -0.35457 50.28487 21.45498 1.000 17.16208 H ? A ? 88 HB3 1
   ATOM 1811 HD21 . ASN A 89 ? 0.52544 51.35015 25.13934 1.000 18.94819 H ? A ? 88 HD21 1
   ATOM 1812 HD22 . ASN A 89 ? -0.38687 50.19504 24.91084 1.000 18.94819 H ? A ? 88 HD22 1
   ATOM 1813 N . ILE A 90 ? -3.11664 48.43316 21.03148 1.000 14.87439 N ? A ? 89 N 1
   ATOM 1814 CA . ILE A 90 ? -3.81999 47.88795 19.88058 1.000 14.61885 C ? A ? 89 CA 1
   ATOM 1815 C . ILE A 90 ? -5.19116 48.52703 19.71573 1.000 14.84171 C ? A ? 89 C 1
   ATOM 1816 O . ILE A 90 ? -5.64006 48.74504 18.58200 1.000 16.02327 O ? A ? 89 O 1
   ATOM 1817 CB . ILE A 90 ? -3.87985 46.33665 19.98197 1.000 15.07014 C ? A ? 89 CB 1
   ATOM 1818 CG1 . ILE A 90 ? -2.46879 45.67905 19.88631 1.000 15.06687 C ? A ? 89 CG1 1
   ATOM 1819 CG2 . ILE A 90 ? -4.76074 45.78784 18.85931 1.000 16.50518 C ? A ? 89 CG2 1
   ATOM 1820 CD1 . ILE A 90 ? -1.83977 45.74617 18.51472 1.000 17.38898 C ? A ? 89 CD1 1
   ATOM 1821 H . ILE A 90 ? -2.91324 47.86194 21.64135 1.000 17.86191 H ? A ? 89 H 1
   ATOM 1822 HA . ILE A 90 ? -3.32155 48.10971 19.07853 1.000 17.55526 H ? A ? 89 HA 1
   ATOM 1823 HB . ILE A 90 ? -4.24982 46.12078 20.85227 1.000 18.09681 H ? A ? 89 HB 1
   ATOM 1824 HG12 . ILE A 90 ? -1.87391 46.13220 20.50412 1.000 18.09289 H ? A ? 89 HG12 1
   ATOM 1825 HG13 . ILE A 90 ? -2.54697 44.74276 20.12745 1.000 18.09289 H ? A ? 89 HG13 1
   ATOM 1826 HG21 . ILE A 90 ? -4.57439 44.84280 18.74501 1.000 19.81886 H ? A ? 89 HG21 1
   ATOM 1827 HG22 . ILE A 90 ? -5.69228 45.91479 19.09810 1.000 19.81886 H ? A ? 89 HG22 1
   ATOM 1828 HG23 . ILE A 90 ? -4.56140 46.26586 18.03915 1.000 19.81886 H ? A ? 89 HG23 1
   ATOM 1829 HD11 . ILE A 90 ? -0.91717 45.45294 18.57571 1.000 20.87942 H ? A ? 89 HD11 1
   ATOM 1830 HD12 . ILE A 90 ? -2.33205 45.16630 17.91280 1.000 20.87942 H ? A ? 89 HD12 1
   ATOM 1831 HD13 . ILE A 90 ? -1.87554 46.66139 18.19533 1.000 20.87942 H ? A ? 89 HD13 1
   ATOM 1832 N . VAL A 91 ? -5.90722 48.78095 20.80719 1.000 14.73283 N ? A ? 90 N 1
   ATOM 1833 CA . VAL A 91 ? -7.16763 49.52572 20.70811 1.000 14.80018 C ? A ? 90 CA 1
   ATOM 1834 C . VAL A 91 ? -6.98425 50.83976 19.96458 1.000 14.92941 C ? A ? 90 C 1
   ATOM 1835 O . VAL A 91 ? -7.85731 51.18496 19.10653 1.000 16.28079 O ? A ? 90 O 1
   ATOM 1836 CB . VAL A 91 ? -7.84105 49.69314 22.09660 1.000 15.38811 C ? A ? 90 CB 1
   ATOM 1837 CG1 . VAL A 91 ? -9.10952 50.54913 22.00212 1.000 15.63745 C ? A ? 90 CG1 1
   ATOM 1838 CG2 . VAL A 91 ? -8.20676 48.38154 22.69020 1.000 15.93852 C ? A ? 90 CG2 1
   ATOM 1839 H . VAL A 91 ? -5.69344 48.53958 21.60446 1.000 17.69204 H ? A ? 90 H 1
   ATOM 1840 HA . VAL A 91 ? -7.77891 48.99463 20.17408 1.000 17.77286 H ? A ? 90 HA 1
   ATOM 1841 HB . VAL A 91 ? -7.19349 50.13378 22.66879 1.000 18.47838 H ? A ? 90 HB 1
   ATOM 1842 HG11 . VAL A 91 ? -9.61799 50.45183 22.82242 1.000 18.77759 H ? A ? 90 HG11 1
   ATOM 1843 HG12 . VAL A 91 ? -8.85577 51.47714 21.87835 1.000 18.77759 H ? A ? 90 HG12 1
   ATOM 1844 HG13 . VAL A 91 ? -9.63863 50.24738 21.24721 1.000 18.77759 H ? A ? 90 HG13 1
   ATOM 1845 HG21 . VAL A 91 ? -8.46163 48.51426 23.61666 1.000 19.13887 H ? A ? 90 HG21 1
   ATOM 1846 HG22 . VAL A 91 ? -8.95034 48.00624 22.19308 1.000 19.13887 H ? A ? 90 HG22 1
   ATOM 1847 HG23 . VAL A 91 ? -7.44156 47.78758 22.63946 1.000 19.13887 H ? A ? 90 HG23 1
   ATOM 1848 N . LYS A 92 ? -5.94643 51.58345 20.23648 1.000 14.62235 N ? A ? 91 N 1
   ATOM 1849 CA . LYS A 92 ? -5.73595 52.87276 19.55389 1.000 14.50392 C ? A ? 91 CA 1
   ATOM 1850 C . LYS A 92 ? -5.53446 52.61179 18.06141 1.000 15.11119 C ? A ? 91 C 1
   ATOM 1851 O . LYS A 92 ? -6.03199 53.37847 17.20786 1.000 15.10591 O ? A ? 91 O 1
   ATOM 1852 CB . LYS A 92 ? -4.59648 53.65704 20.13702 1.000 17.44566 C ? A ? 91 CB 1
   ATOM 1853 CG . LYS A 92 ? -4.64876 55.19901 19.84264 1.000 17.33448 C ? A ? 91 CG 1
   ATOM 1854 CD . LYS A 92 ? -3.53049 56.02556 20.55833 1.000 20.51139 C ? A ? 91 CD 1
   ATOM 1855 CE . LYS A 92 ? -2.09240 55.82833 19.93062 1.000 26.32834 C ? A ? 91 CE 1
   ATOM 1856 NZ . LYS A 92 ? -1.13971 56.61101 20.81283 1.000 28.27766 N ? A ? 91 NZ 1
   ATOM 1857 H . LYS A 92 ? -5.33684 51.38312 20.80907 1.000 17.55946 H ? A ? 91 H 1
   ATOM 1858 HA . LYS A 92 ? -6.51431 53.43531 19.69024 1.000 17.41735 H ? A ? 91 HA 1
   ATOM 1859 HB2 . LYS A 92 ? -4.60349 53.54230 21.10019 1.000 20.94743 H ? A ? 91 HB2 1
   ATOM 1860 HB3 . LYS A 92 ? -3.76644 53.31641 19.76837 1.000 20.94743 H ? A ? 91 HB3 1
   ATOM 1861 HG2 . LYS A 92 ? -4.54998 55.33693 18.88759 1.000 20.81402 H ? A ? 91 HG2 1
   ATOM 1862 HG3 . LYS A 92 ? -5.50497 55.54381 20.14083 1.000 20.81402 H ? A ? 91 HG3 1
   ATOM 1863 HD2 . LYS A 92 ? -3.75186 56.96810 20.49902 1.000 24.62632 H ? A ? 91 HD2 1
   ATOM 1864 HD3 . LYS A 92 ? -3.48676 55.75292 21.48820 1.000 24.62632 H ? A ? 91 HD3 1
   ATOM 1865 HE2 . LYS A 92 ? -1.84464 54.89051 19.93199 1.000 31.60665 H ? A ? 91 HE2 1
   ATOM 1866 HE3 . LYS A 92 ? -2.06345 56.17780 19.02622 1.000 31.60665 H ? A ? 91 HE3 1
   ATOM 1867 HZ1 . LYS A 92 ? -0.51976 57.00894 20.31342 1.000 33.94584 H ? A ? 91 HZ1 1
   ATOM 1868 HZ2 . LYS A 92 ? -1.58658 57.23196 21.26761 1.000 33.94584 H ? A ? 91 HZ2 1
   ATOM 1869 HZ3 . LYS A 92 ? -0.73896 56.06356 21.38885 1.000 33.94584 H ? A ? 91 HZ3 1
   ATOM 1870 N A LEU A 93 ? -4.75734 51.56714 17.72236 0.606 14.82892 N ? A ? 92 N 1
   ATOM 1871 CA A LEU A 93 ? -4.54776 51.20645 16.32122 0.606 14.62106 C ? A ? 92 CA 1
   ATOM 1872 C A LEU A 93 ? -5.85270 50.77710 15.63390 0.606 14.68972 C ? A ? 92 C 1
   ATOM 1873 O A LEU A 93 ? -6.11050 51.22326 14.50979 0.606 14.84263 O ? A ? 92 O 1
   ATOM 1874 CB A LEU A 93 ? -3.45399 50.11535 16.24818 0.606 15.97960 C ? A ? 92 CB 1
   ATOM 1875 CG A LEU A 93 ? -2.87316 49.79180 14.87190 0.606 13.22856 C ? A ? 92 CG 1
   ATOM 1876 CD1 A LEU A 93 ? -2.01748 50.84109 14.37457 0.606 15.19859 C ? A ? 92 CD1 1
   ATOM 1877 CD2 A LEU A 93 ? -2.03862 48.51267 14.97763 0.606 13.46842 C ? A ? 92 CD2 1
   ATOM 1878 H A LEU A 93 ? -4.34693 51.06001 18.28270 0.606 17.80735 H ? A ? 92 H 1
   ATOM 1879 HA A LEU A 93 ? -4.23361 51.97880 15.82556 0.606 17.55792 H ? A ? 92 HA 1
   ATOM 1880 HB2 A LEU A 93 ? -2.71322 50.39991 16.80602 0.606 19.18817 H ? A ? 92 HB2 1
   ATOM 1881 HB3 A LEU A 93 ? -3.83259 49.29198 16.59406 0.606 19.18817 H ? A ? 92 HB3 1
   ATOM 1882 HG A LEU A 93 ? -3.61158 49.68827 14.25149 0.606 15.88691 H ? A ? 92 HG 1
   ATOM 1883 HD11 A LEU A 93 ? -1.56282 50.52665 13.57751 0.606 18.25095 H ? A ? 92 HD11 1
   ATOM 1884 HD12 A LEU A 93 ? -2.55984 51.61664 14.16180 0.606 18.25095 H ? A ? 92 HD12 1
   ATOM 1885 HD13 A LEU A 93 ? -1.36776 51.06917 15.05776 0.606 18.25095 H ? A ? 92 HD13 1
   ATOM 1886 HD21 A LEU A 93 ? -1.68545 48.29269 14.10140 0.606 16.17475 H ? A ? 92 HD21 1
   ATOM 1887 HD22 A LEU A 93 ? -1.30980 48.66166 15.60015 0.606 16.17475 H ? A ? 92 HD22 1
   ATOM 1888 HD23 A LEU A 93 ? -2.60416 47.79211 15.29677 0.606 16.17475 H ? A ? 92 HD23 1
   ATOM 1889 N B LEU A 93 ? -4.79118 51.55115 17.72400 0.394 14.91809 N ? A ? 92 N 1
   ATOM 1890 CA B LEU A 93 ? -4.57173 51.20578 16.32368 0.394 14.53815 C ? A ? 92 CA 1
   ATOM 1891 C B LEU A 93 ? -5.86757 50.78435 15.63238 0.394 14.66872 C ? A ? 92 C 1
   ATOM 1892 O B LEU A 93 ? -6.12602 51.20449 14.49878 0.394 14.85777 O ? A ? 92 O 1
   ATOM 1893 CB B LEU A 93 ? -3.52337 50.08839 16.25664 0.394 15.97972 C ? A ? 92 CB 1
   ATOM 1894 CG B LEU A 93 ? -3.24218 49.58542 14.85055 0.394 15.15824 C ? A ? 92 CG 1
   ATOM 1895 CD1 B LEU A 93 ? -2.49793 50.66541 14.09329 0.394 15.09992 C ? A ? 92 CD1 1
   ATOM 1896 CD2 B LEU A 93 ? -2.52596 48.25118 14.92555 0.394 13.45311 C ? A ? 92 CD2 1
   ATOM 1897 H B LEU A 93 ? -4.40804 51.02261 18.28386 0.394 17.91435 H ? A ? 92 H 1
   ATOM 1898 HA B LEU A 93 ? -4.23847 51.98111 15.84545 0.394 17.45842 H ? A ? 92 HA 1
   ATOM 1899 HB2 B LEU A 93 ? -2.68985 50.42312 16.62283 0.394 19.18830 H ? A ? 92 HB2 1
   ATOM 1900 HB3 B LEU A 93 ? -3.83817 49.33619 16.78199 0.394 19.18830 H ? A ? 92 HB3 1
   ATOM 1901 HG B LEU A 93 ? -4.05194 49.41088 14.34585 0.394 18.20253 H ? A ? 92 HG 1
   ATOM 1902 HD11 B LEU A 93 ? -2.33959 50.36261 13.18547 0.394 18.13254 H ? A ? 92 HD11 1
   ATOM 1903 HD12 B LEU A 93 ? -3.03607 51.47239 14.08369 0.394 18.13254 H ? A ? 92 HD12 1
   ATOM 1904 HD13 B LEU A 93 ? -1.65257 50.83683 14.53700 0.394 18.13254 H ? A ? 92 HD13 1
   ATOM 1905 HD21 B LEU A 93 ? -2.34557 47.93854 14.02521 0.394 16.15638 H ? A ? 92 HD21 1
   ATOM 1906 HD22 B LEU A 93 ? -1.69284 48.36670 15.40873 0.394 16.15638 H ? A ? 92 HD22 1
   ATOM 1907 HD23 B LEU A 93 ? -3.09194 47.61459 15.38957 0.394 16.15638 H ? A ? 92 HD23 1
   ATOM 1908 N . SER A 94 ? -6.69209 49.99901 16.30508 1.000 14.71364 N ? A ? 93 N 1
   ATOM 1909 CA . SER A 94 ? -8.01943 49.63713 15.76144 1.000 14.84964 C ? A ? 93 CA 1
   ATOM 1910 C . SER A 94 ? -8.88225 50.85270 15.53922 1.000 14.76263 C ? A ? 93 C 1
   ATOM 1911 O . SER A 94 ? -9.57613 50.96697 14.52822 1.000 15.22602 O ? A ? 93 O 1
   ATOM 1912 CB . SER A 94 ? -8.73592 48.73936 16.72944 1.000 14.97755 C ? A ? 93 CB 1
   ATOM 1913 OG . SER A 94 ? -8.12272 47.43506 16.81286 1.000 16.67167 O ? A ? 93 OG 1
   ATOM 1914 HA . SER A 94 ? -7.87833 49.18109 14.91703 1.000 17.83221 H ? A ? 93 HA 1
   ATOM 1915 HB2 . SER A 94 ? -8.71517 49.14968 17.60813 1.000 17.98570 H ? A ? 93 HB2 1
   ATOM 1916 HB3 . SER A 94 ? -9.65386 48.63330 16.43441 1.000 17.98570 H ? A ? 93 HB3 1
   ATOM 1917 HG . SER A 94 ? -7.32568 47.50809 17.06779 1.000 20.01865 H ? A ? 93 HG 1
   ATOM 1918 H A SER A 94 ? -6.52909 49.66086 17.07883 0.606 17.66901 H ? A ? 93 H 1
   ATOM 1919 H B SER A 94 ? -6.52192 49.65669 17.07544 0.394 17.66901 H ? A ? 93 H 1
   ATOM 1920 N A ALA A 95 ? -8.88689 51.78969 16.49274 0.525 14.49657 N ? A ? 94 N 1
   ATOM 1921 CA A ALA A 95 ? -9.64579 53.02374 16.32141 0.525 14.64545 C ? A ? 94 CA 1
   ATOM 1922 C A ALA A 95 ? -9.18664 53.78965 15.10995 0.525 15.79605 C ? A ? 94 C 1
   ATOM 1923 O A ALA A 95 ? -10.02279 54.29242 14.33864 0.525 16.28224 O ? A ? 94 O 1
   ATOM 1924 CB A ALA A 95 ? -9.57673 53.86637 17.60660 0.525 16.45169 C ? A ? 94 CB 1
   ATOM 1925 H A ALA A 95 ? -8.46277 51.73318 17.23875 0.525 17.40853 H ? A ? 94 H 1
   ATOM 1926 HA A ALA A 95 ? -10.57934 52.80542 16.17405 0.525 17.58718 H ? A ? 94 HA 1
   ATOM 1927 HB1 A ALA A 95 ? -10.10851 54.66876 17.48710 0.525 19.75467 H ? A ? 94 HB1 1
   ATOM 1928 HB2 A ALA A 95 ? -9.92681 53.34454 18.34555 0.525 19.75467 H ? A ? 94 HB2 1
   ATOM 1929 HB3 A ALA A 95 ? -8.65235 54.10474 17.77866 0.525 19.75467 H ? A ? 94 HB3 1
   ATOM 1930 N B ALA A 95 ? -8.87726 51.79705 16.48489 0.475 14.44645 N ? A ? 94 N 1
   ATOM 1931 CA B ALA A 95 ? -9.64519 53.02555 16.31470 0.475 14.63975 C ? A ? 94 CA 1
   ATOM 1932 C B ALA A 95 ? -9.18284 53.79658 15.10575 0.475 15.80961 C ? A ? 94 C 1
   ATOM 1933 O B ALA A 95 ? -10.01192 54.30505 14.33244 0.475 16.28913 O ? A ? 94 O 1
   ATOM 1934 CB B ALA A 95 ? -9.58110 53.86599 17.60175 0.475 16.44653 C ? A ? 94 CB 1
   ATOM 1935 H B ALA A 95 ? -8.44164 51.74884 17.22482 0.475 17.34838 H ? A ? 94 H 1
   ATOM 1936 HA B ALA A 95 ? -10.57748 52.80325 16.16532 0.475 17.58034 H ? A ? 94 HA 1
   ATOM 1937 HB1 B ALA A 95 ? -10.11617 54.66634 17.48327 0.475 19.74848 H ? A ? 94 HB1 1
   ATOM 1938 HB2 B ALA A 95 ? -9.92973 53.34121 18.33929 0.475 19.74848 H ? A ? 94 HB2 1
   ATOM 1939 HB3 B ALA A 95 ? -8.65793 54.10796 17.77527 0.475 19.74848 H ? A ? 94 HB3 1
   ATOM 1940 N . ALA A 96 ? -7.86731 53.95247 14.93448 1.000 15.38793 N ? A ? 95 N 1
   ATOM 1941 CA . ALA A 96 ? -7.34526 54.63134 13.78089 1.000 15.34498 C ? A ? 95 CA 1
   ATOM 1942 C . ALA A 96 ? -7.73011 53.93355 12.48855 1.000 15.49216 C ? A ? 95 C 1
   ATOM 1943 O . ALA A 96 ? -8.11213 54.60303 11.49376 1.000 16.76331 O ? A ? 95 O 1
   ATOM 1944 CB . ALA A 96 ? -5.83689 54.74791 13.89245 1.000 16.36092 C ? A ? 95 CB 1
   ATOM 1945 HA . ALA A 96 ? -7.72282 55.52442 13.75340 1.000 18.42661 H ? A ? 95 HA 1
   ATOM 1946 HB1 . ALA A 96 ? -5.49693 55.20811 13.10916 1.000 19.64575 H ? A ? 95 HB1 1
   ATOM 1947 HB2 . ALA A 96 ? -5.61730 55.25036 14.69259 1.000 19.64575 H ? A ? 95 HB2 1
   ATOM 1948 HB3 . ALA A 96 ? -5.45443 53.85806 13.94526 1.000 19.64575 H ? A ? 95 HB3 1
   ATOM 1949 H A ALA A 96 ? -7.26399 53.67247 15.47964 0.525 18.47815 H ? A ? 95 H 1
   ATOM 1950 H B ALA A 96 ? -7.26563 53.66930 15.47982 0.475 18.47815 H ? A ? 95 H 1
   ATOM 1951 N . ALA A 97 ? -7.60278 52.59798 12.44952 1.000 14.21513 N ? A ? 96 N 1
   ATOM 1952 CA . ALA A 97 ? -7.90485 51.86304 11.23735 1.000 14.05515 C ? A ? 96 CA 1
   ATOM 1953 C . ALA A 97 ? -9.38063 51.95953 10.92853 1.000 15.14376 C ? A ? 96 C 1
   ATOM 1954 O . ALA A 97 ? -9.79100 52.11675 9.76121 1.000 16.67707 O ? A ? 96 O 1
   ATOM 1955 CB . ALA A 97 ? -7.48699 50.40955 11.44036 1.000 14.98131 C ? A ? 96 CB 1
   ATOM 1956 H . ALA A 97 ? -7.34571 52.10898 13.10861 1.000 17.07079 H ? A ? 96 H 1
   ATOM 1957 HA . ALA A 97 ? -7.41378 52.22454 10.48299 1.000 16.87883 H ? A ? 96 HA 1
   ATOM 1958 HB1 . ALA A 97 ? -7.66185 49.91387 10.62512 1.000 17.99021 H ? A ? 96 HB1 1
   ATOM 1959 HB2 . ALA A 97 ? -6.54022 50.37936 11.64920 1.000 17.99021 H ? A ? 96 HB2 1
   ATOM 1960 HB3 . ALA A 97 ? -7.99945 50.03298 12.17281 1.000 17.99021 H ? A ? 96 HB3 1
   ATOM 1961 N . ASP A 98 ? -10.20684 51.83752 11.96100 1.000 15.42910 N ? A ? 97 N 1
   ATOM 1962 CA . ASP A 98 ? -11.64992 51.92299 11.74756 1.000 16.18988 C ? A ? 97 CA 1
   ATOM 1963 C . ASP A 98 ? -12.04566 53.28820 11.23579 1.000 17.93310 C ? A ? 97 C 1
   ATOM 1964 O . ASP A 98 ? -13.03681 53.39763 10.44628 1.000 20.66772 O ? A ? 97 O 1
   ATOM 1965 CB . ASP A 98 ? -12.39641 51.58371 13.05379 1.000 16.95214 C ? A ? 97 CB 1
   ATOM 1966 CG . ASP A 98 ? -12.34918 50.12356 13.41298 1.000 17.83380 C ? A ? 97 CG 1
   ATOM 1967 OD1 . ASP A 98 ? -11.90539 49.28289 12.60595 1.000 17.87630 O ? A ? 97 OD1 1
   ATOM 1968 OD2 . ASP A 98 ? -12.80702 49.79968 14.57233 1.000 19.54168 O ? A ? 97 OD2 1
   ATOM 1969 H . ASP A 98 ? -9.96624 51.70783 12.77641 1.000 18.52756 H ? A ? 97 H 1
   ATOM 1970 HA . ASP A 98 ? -11.91642 51.26889 11.08270 1.000 19.44050 H ? A ? 97 HA 1
   ATOM 1971 HB2 . ASP A 98 ? -11.99363 52.08129 13.78254 1.000 20.35521 H ? A ? 97 HB2 1
   ATOM 1972 HB3 . ASP A 98 ? -13.32823 51.83475 12.95580 1.000 20.35521 H ? A ? 97 HB3 1
   ATOM 1973 N . ALA A 99 ? -11.35569 54.34345 11.63080 1.000 17.17180 N ? A ? 98 N 1
   ATOM 1974 CA . ALA A 99 ? -11.64332 55.70007 11.17942 1.000 17.89028 C ? A ? 98 CA 1
   ATOM 1975 C . ALA A 99 ? -11.07546 55.98438 9.81616 1.000 18.70542 C ? A ? 98 C 1
   ATOM 1976 O . ALA A 99 ? -11.46327 57.02901 9.19523 1.000 20.46061 O ? A ? 98 O 1
   ATOM 1977 CB . ALA A 99 ? -11.08921 56.67028 12.21526 1.000 20.44710 C ? A ? 98 CB 1
   ATOM 1978 H . ALA A 99 ? -10.69341 54.30347 12.17796 1.000 20.61880 H ? A ? 98 H 1
   ATOM 1979 HA . ALA A 99 ? -12.60024 55.84426 11.11303 1.000 21.48098 H ? A ? 98 HA 1
   ATOM 1980 HB1 . ALA A 99 ? -11.29059 57.57762 11.93763 1.000 24.54917 H ? A ? 98 HB1 1
   ATOM 1981 HB2 . ALA A 99 ? -11.50357 56.48713 13.07297 1.000 24.54917 H ? A ? 98 HB2 1
   ATOM 1982 HB3 . ALA A 99 ? -10.12890 56.54938 12.27929 1.000 24.54917 H ? A ? 98 HB3 1
   ATOM 1983 N A GLY A 100 ? -10.19267 55.13154 9.29508 0.378 16.46690 N ? A ? 99 N 1
   ATOM 1984 CA A GLY A 100 ? -9.51805 55.40929 8.04203 0.378 16.46046 C ? A ? 99 CA 1
   ATOM 1985 C A GLY A 100 ? -8.58669 56.59323 8.10197 0.378 17.73960 C ? A ? 99 C 1
   ATOM 1986 O A GLY A 100 ? -8.36527 57.27998 7.08641 0.378 18.93346 O ? A ? 99 O 1
   ATOM 1987 H A GLY A 100 ? -9.96956 54.38255 9.65402 0.378 19.77292 H ? A ? 99 H 1
   ATOM 1988 HA2 A GLY A 100 ? -8.99868 54.63148 7.78479 0.378 19.76519 H ? A ? 99 HA2 1
   ATOM 1989 HA3 A GLY A 100 ? -10.18333 55.58500 7.35834 0.378 19.76519 H ? A ? 99 HA3 1
   ATOM 1990 N B GLY A 100 ? -10.19019 55.13280 9.29091 0.622 16.44328 N ? A ? 99 N 1
   ATOM 1991 CA B GLY A 100 ? -9.51144 55.40704 8.03995 0.622 16.45250 C ? A ? 99 CA 1
   ATOM 1992 C B GLY A 100 ? -8.59730 56.60158 8.10612 0.622 17.69032 C ? A ? 99 C 1
   ATOM 1993 O B GLY A 100 ? -8.35952 57.29263 7.09206 0.622 18.95003 O ? A ? 99 O 1
   ATOM 1994 H B GLY A 100 ? -9.96767 54.38317 9.64888 0.622 19.74458 H ? A ? 99 H 1
   ATOM 1995 HA2 B GLY A 100 ? -8.98083 54.63400 7.79145 0.622 19.75565 H ? A ? 99 HA2 1
   ATOM 1996 HA3 B GLY A 100 ? -10.17317 55.57092 7.34991 0.622 19.75565 H ? A ? 99 HA3 1
   ATOM 1997 N . ASP A 101 ? -7.95860 56.82110 9.25593 1.000 17.35705 N ? A ? 100 N 1
   ATOM 1998 CA . ASP A 101 ? -7.15330 58.01210 9.48973 1.000 17.08396 C ? A ? 100 CA 1
   ATOM 1999 C . ASP A 101 ? -5.69597 57.58014 9.48776 1.000 16.33361 C ? A ? 100 C 1
   ATOM 2000 O . ASP A 101 ? -5.18732 57.00657 10.45630 1.000 17.08554 O ? A ? 100 O 1
   ATOM 2001 CB . ASP A 101 ? -7.59762 58.65078 10.78698 1.000 18.48519 C ? A ? 100 CB 1
   ATOM 2002 CG . ASP A 101 ? -6.87082 59.92977 11.10137 1.000 21.48677 C ? A ? 100 CG 1
   ATOM 2003 OD1 . ASP A 101 ? -5.71462 60.11320 10.67855 1.000 18.93869 O ? A ? 100 OD1 1
   ATOM 2004 OD2 . ASP A 101 ? -7.49831 60.81207 11.75842 1.000 25.53404 O ? A ? 100 OD2 1
   ATOM 2005 HA . ASP A 101 ? -7.25179 58.66561 8.77972 1.000 20.51339 H ? A ? 100 HA 1
   ATOM 2006 HB2 . ASP A 101 ? -8.54447 58.85328 10.72893 1.000 22.19487 H ? A ? 100 HB2 1
   ATOM 2007 HB3 . ASP A 101 ? -7.43514 58.02985 11.51428 1.000 22.19487 H ? A ? 100 HB3 1
   ATOM 2008 H A ASP A 101 ? -7.98705 56.28711 9.92947 0.378 20.84110 H ? A ? 100 H 1
   ATOM 2009 H B ASP A 101 ? -7.97960 56.28197 9.92563 0.622 20.84110 H ? A ? 100 H 1
   ATOM 2010 N . LEU A 102 ? -5.03159 57.84837 8.40037 1.000 16.37076 N ? A ? 101 N 1
   ATOM 2011 CA . LEU A 102 ? -3.66896 57.46933 8.23939 1.000 19.14672 C ? A ? 101 CA 1
   ATOM 2012 C . LEU A 102 ? -2.73641 58.12236 9.24284 1.000 17.62428 C ? A ? 101 C 1
   ATOM 2013 O . LEU A 102 ? -1.73694 57.48006 9.65358 1.000 18.16353 O ? A ? 101 O 1
   ATOM 2014 CB . LEU A 102 ? -3.22616 57.82724 6.83146 1.000 22.92047 C ? A ? 101 CB 1
   ATOM 2015 CG . LEU A 102 ? -1.84439 57.48806 6.36712 1.000 22.34370 C ? A ? 101 CG 1
   ATOM 2016 CD1 . LEU A 102 ? -1.59222 55.94607 6.52575 1.000 24.51731 C ? A ? 101 CD1 1
   ATOM 2017 CD2 . LEU A 102 ? -1.51316 57.96220 4.95772 1.000 24.34149 C ? A ? 101 CD2 1
   ATOM 2018 H . LEU A 102 ? -5.35865 58.26181 7.72089 1.000 19.65756 H ? A ? 101 H 1
   ATOM 2019 HA . LEU A 102 ? -3.60941 56.51188 8.38302 1.000 22.98870 H ? A ? 101 HA 1
   ATOM 2020 HB2 . LEU A 102 ? -3.83237 57.38144 6.21937 1.000 27.51721 H ? A ? 101 HB2 1
   ATOM 2021 HB3 . LEU A 102 ? -3.31148 58.78924 6.74107 1.000 27.51721 H ? A ? 101 HB3 1
   ATOM 2022 HG . LEU A 102 ? -1.22867 57.97835 6.93404 1.000 26.82508 H ? A ? 101 HG 1
   ATOM 2023 HD11 . LEU A 102 ? -0.70689 55.73471 6.19046 1.000 29.43342 H ? A ? 101 HD11 1
   ATOM 2024 HD12 . LEU A 102 ? -1.65525 55.71071 7.46465 1.000 29.43342 H ? A ? 101 HD12 1
   ATOM 2025 HD13 . LEU A 102 ? -2.26242 55.46258 6.01783 1.000 29.43342 H ? A ? 101 HD13 1
   ATOM 2026 HD21 . LEU A 102 ? -0.60108 57.70920 4.74560 1.000 29.22243 H ? A ? 101 HD21 1
   ATOM 2027 HD22 . LEU A 102 ? -2.12608 57.54532 4.33207 1.000 29.22243 H ? A ? 101 HD22 1
   ATOM 2028 HD23 . LEU A 102 ? -1.60634 58.92694 4.91901 1.000 29.22243 H ? A ? 101 HD23 1
   ATOM 2029 N . ASP A 103 ? -2.95747 59.39820 9.57542 1.000 18.85965 N ? A ? 102 N 1
   ATOM 2030 CA . ASP A 103 ? -2.06446 60.02380 10.56025 1.000 17.68714 C ? A ? 102 CA 1
   ATOM 2031 C . ASP A 103 ? -2.20670 59.34170 11.90181 1.000 16.89058 C ? A ? 102 C 1
   ATOM 2032 O . ASP A 103 ? -1.18138 59.04737 12.57056 1.000 17.18576 O ? A ? 102 O 1
   ATOM 2033 CB . ASP A 103 ? -2.41033 61.51767 10.61618 1.000 22.11704 C ? A ? 102 CB 1
   ATOM 2034 CG . ASP A 103 ? -2.10754 62.16769 9.29963 1.000 34.18931 C ? A ? 102 CG 1
   ATOM 2035 OD1 . ASP A 103 ? -0.96746 62.12012 8.90644 1.000 29.74678 O ? A ? 102 OD1 1
   ATOM 2036 OD2 . ASP A 103 ? -3.02409 62.62438 8.60717 1.000 34.52237 O ? A ? 102 OD2 1
   ATOM 2037 H . ASP A 103 ? -3.58337 59.89870 9.26343 1.000 22.64423 H ? A ? 102 H 1
   ATOM 2038 HA . ASP A 103 ? -1.13176 59.94169 10.30680 1.000 21.23721 H ? A ? 102 HA 1
   ATOM 2039 HB2 . ASP A 103 ? -3.35518 61.62666 10.80668 1.000 26.55309 H ? A ? 102 HB2 1
   ATOM 2040 HB3 . ASP A 103 ? -1.88107 61.94930 11.30500 1.000 26.55309 H ? A ? 102 HB3 1
   ATOM 2041 N . LYS A 104 ? -3.44191 59.03994 12.27830 1.000 17.00129 N ? A ? 103 N 1
   ATOM 2042 CA . LYS A 104 ? -3.63421 58.31825 13.51330 1.000 17.03951 C ? A ? 103 CA 1
   ATOM 2043 C . LYS A 104 ? -3.04857 56.92571 13.43602 1.000 15.99183 C ? A ? 103 C 1
   ATOM 2044 O . LYS A 104 ? -2.50361 56.40371 14.43851 1.000 16.87373 O ? A ? 103 O 1
   ATOM 2045 CB . LYS A 104 ? -5.09259 58.25084 13.93523 1.000 18.51778 C ? A ? 103 CB 1
   ATOM 2046 CG . LYS A 104 ? -5.65841 59.60368 14.43737 1.000 22.49530 C ? A ? 103 CG 1
   ATOM 2047 CD . LYS A 104 ? -7.05977 59.40847 14.99765 1.000 34.89251 C ? A ? 103 CD 1
   ATOM 2048 CE . LYS A 104 ? -7.61226 60.70215 15.58738 1.000 52.59227 C ? A ? 103 CE 1
   ATOM 2049 NZ . LYS A 104 ? -8.83098 60.46329 16.46657 1.000 65.79275 N ? A ? 103 NZ 1
   ATOM 2050 H . LYS A 104 ? -4.15935 59.23738 11.84713 1.000 20.41419 H ? A ? 103 H 1
   ATOM 2051 HA . LYS A 104 ? -3.17252 58.82064 14.20275 1.000 20.46005 H ? A ? 103 HA 1
   ATOM 2052 HB2 . LYS A 104 ? -5.62503 57.97090 13.17428 1.000 22.23398 H ? A ? 103 HB2 1
   ATOM 2053 HB3 . LYS A 104 ? -5.17961 57.60730 14.65577 1.000 22.23398 H ? A ? 103 HB3 1
   ATOM 2054 HG2 . LYS A 104 ? -5.08915 59.95538 15.13962 1.000 27.00700 H ? A ? 103 HG2 1
   ATOM 2055 HG3 . LYS A 104 ? -5.70321 60.23277 13.70039 1.000 27.00700 H ? A ? 103 HG3 1
   ATOM 2056 HD2 . LYS A 104 ? -7.65282 59.12024 14.28623 1.000 41.88366 H ? A ? 103 HD2 1
   ATOM 2057 HD3 . LYS A 104 ? -7.03461 58.73983 15.69992 1.000 41.88366 H ? A ? 103 HD3 1
   ATOM 2058 HE2 . LYS A 104 ? -6.92677 61.12228 16.13006 1.000 63.12337 H ? A ? 103 HE2 1
   ATOM 2059 HE3 . LYS A 104 ? -7.87312 61.29476 14.86511 1.000 63.12337 H ? A ? 103 HE3 1
   ATOM 2060 HZ1 . LYS A 104 ? -9.12230 61.23560 16.79938 1.000 78.96394 H ? A ? 103 HZ1 1
   ATOM 2061 HZ2 . LYS A 104 ? -9.48272 60.09053 15.98868 1.000 78.96394 H ? A ? 103 HZ2 1
   ATOM 2062 HZ3 . LYS A 104 ? -8.61932 59.92038 17.13929 1.000 78.96394 H ? A ? 103 HZ3 1
   ATOM 2063 N A LEU A 105 ? -3.13146 56.30642 12.27562 0.589 15.08808 N ? A ? 104 N 1
   ATOM 2064 CA A LEU A 105 ? -2.58352 54.95419 12.15202 0.589 15.94462 C ? A ? 104 CA 1
   ATOM 2065 C A LEU A 105 ? -1.08103 54.95495 12.33697 0.589 15.15617 C ? A ? 104 C 1
   ATOM 2066 O A LEU A 105 ? -0.49799 54.07037 12.97734 0.589 15.77631 O ? A ? 104 O 1
   ATOM 2067 CB A LEU A 105 ? -2.94251 54.38586 10.77320 0.589 17.87933 C ? A ? 104 CB 1
   ATOM 2068 CG A LEU A 105 ? -2.65895 52.88003 10.61634 0.589 16.70253 C ? A ? 104 CG 1
   ATOM 2069 CD1 A LEU A 105 ? -3.80665 52.05688 11.06034 0.589 18.01923 C ? A ? 104 CD1 1
   ATOM 2070 CD2 A LEU A 105 ? -2.26925 52.52105 9.18500 0.589 17.77604 C ? A ? 104 CD2 1
   ATOM 2071 H A LEU A 105 ? -3.48675 56.62838 11.56168 0.589 18.11834 H ? A ? 104 H 1
   ATOM 2072 HA A LEU A 105 ? -2.97317 54.38852 12.83693 0.589 19.14619 H ? A ? 104 HA 1
   ATOM 2073 HB2 A LEU A 105 ? -3.88993 54.52503 10.61846 0.589 21.46784 H ? A ? 104 HB2 1
   ATOM 2074 HB3 A LEU A 105 ? -2.42412 54.85497 10.10082 0.589 21.46784 H ? A ? 104 HB3 1
   ATOM 2075 HG A LEU A 105 ? -1.90426 52.67006 11.18841 0.589 20.05568 H ? A ? 104 HG 1
   ATOM 2076 HD11 A LEU A 105 ? -3.59972 51.12077 10.91277 0.589 21.63571 H ? A ? 104 HD11 1
   ATOM 2077 HD12 A LEU A 105 ? -3.96315 52.21624 12.00427 0.589 21.63571 H ? A ? 104 HD12 1
   ATOM 2078 HD13 A LEU A 105 ? -4.59150 52.30689 10.54809 0.589 21.63571 H ? A ? 104 HD13 1
   ATOM 2079 HD21 A LEU A 105 ? -2.03288 51.58100 9.14838 0.589 21.34389 H ? A ? 104 HD21 1
   ATOM 2080 HD22 A LEU A 105 ? -3.02250 52.69578 8.59935 0.589 21.34389 H ? A ? 104 HD22 1
   ATOM 2081 HD23 A LEU A 105 ? -1.51047 53.06353 8.91879 0.589 21.34389 H ? A ? 104 HD23 1
   ATOM 2082 N B LEU A 105 ? -3.15448 56.30432 12.26821 0.411 15.16078 N ? A ? 104 N 1
   ATOM 2083 CA B LEU A 105 ? -2.60783 54.96020 12.10361 0.411 16.04039 C ? A ? 104 CA 1
   ATOM 2084 C B LEU A 105 ? -1.11611 54.96455 12.35267 0.411 15.11180 C ? A ? 104 C 1
   ATOM 2085 O B LEU A 105 ? -0.59447 54.11826 13.08566 0.411 15.86791 O ? A ? 104 O 1
   ATOM 2086 CB B LEU A 105 ? -2.90597 54.43529 10.69133 0.411 17.87373 C ? A ? 104 CB 1
   ATOM 2087 CG B LEU A 105 ? -2.75803 52.93416 10.39919 0.411 16.74759 C ? A ? 104 CG 1
   ATOM 2088 CD1 B LEU A 105 ? -3.85520 52.16682 11.07680 0.411 18.10190 C ? A ? 104 CD1 1
   ATOM 2089 CD2 B LEU A 105 ? -2.73443 52.72545 8.87072 0.411 19.88189 C ? A ? 104 CD2 1
   ATOM 2090 H B LEU A 105 ? -3.53059 56.63039 11.56691 0.411 18.20558 H ? A ? 104 H 1
   ATOM 2091 HA B LEU A 105 ? -3.03335 54.36653 12.74188 0.411 19.26111 H ? A ? 104 HA 1
   ATOM 2092 HB2 B LEU A 105 ? -3.82617 54.66355 10.48629 0.411 21.46112 H ? A ? 104 HB2 1
   ATOM 2093 HB3 B LEU A 105 ? -2.30680 54.89226 10.08053 0.411 21.46112 H ? A ? 104 HB3 1
   ATOM 2094 HG B LEU A 105 ? -1.92544 52.58568 10.75453 0.411 20.10975 H ? A ? 104 HG 1
   ATOM 2095 HD11 B LEU A 105 ? -3.75674 51.22457 10.86855 0.411 21.73492 H ? A ? 104 HD11 1
   ATOM 2096 HD12 B LEU A 105 ? -3.79008 52.30236 12.03507 0.411 21.73492 H ? A ? 104 HD12 1
   ATOM 2097 HD13 B LEU A 105 ? -4.71149 52.48907 10.75458 0.411 21.73492 H ? A ? 104 HD13 1
   ATOM 2098 HD21 B LEU A 105 ? -2.54732 51.79252 8.68223 0.411 23.87091 H ? A ? 104 HD21 1
   ATOM 2099 HD22 B LEU A 105 ? -3.59907 52.96981 8.50524 0.411 23.87091 H ? A ? 104 HD22 1
   ATOM 2100 HD23 B LEU A 105 ? -2.04240 53.28588 8.48612 0.411 23.87091 H ? A ? 104 HD23 1
   ATOM 2101 N . ARG A 106 ? -0.39389 55.90793 11.73145 1.000 15.98187 N ? A ? 105 N 1
   ATOM 2102 CA . ARG A 106 ? 1.05008 55.98048 11.88091 1.000 16.35570 C ? A ? 105 CA 1
   ATOM 2103 C . ARG A 106 ? 1.43023 56.17757 13.32249 1.000 16.89313 C ? A ? 105 C 1
   ATOM 2104 O . ARG A 106 ? 2.35707 55.50751 13.80432 1.000 17.00989 O ? A ? 105 O 1
   ATOM 2105 CB . ARG A 106 ? 1.61167 57.16289 11.10892 1.000 20.74363 C ? A ? 105 CB 1
   ATOM 2106 CG . ARG A 106 ? 1.66348 57.03460 9.62530 1.000 28.01243 C ? A ? 105 CG 1
   ATOM 2107 CD . ARG A 106 ? 2.80047 58.05519 9.04889 1.000 28.61710 C ? A ? 105 CD 1
   ATOM 2108 NE . ARG A 106 ? 2.83568 59.40062 9.68181 1.000 39.91152 N ? A ? 105 NE 1
   ATOM 2109 CZ . ARG A 106 ? 3.89244 60.23151 9.69040 1.000 45.58757 C ? A ? 105 CZ 1
   ATOM 2110 NH1 . ARG A 106 ? 5.03384 59.90451 9.08181 1.000 31.73054 N ? A ? 105 NH1 1
   ATOM 2111 NH2 . ARG A 106 ? 3.80106 61.42403 10.34095 1.000 26.94912 N ? A ? 105 NH2 1
   ATOM 2112 HA . ARG A 106 ? 1.41718 55.15182 11.53527 1.000 19.63949 H ? A ? 105 HA 1
   ATOM 2113 HB2 . ARG A 106 ? 1.06297 57.93792 11.30679 1.000 24.90499 H ? A ? 105 HB2 1
   ATOM 2114 HB3 . ARG A 106 ? 2.52075 57.31399 11.41165 1.000 24.90499 H ? A ? 105 HB3 1
   ATOM 2115 HG2 . ARG A 106 ? 1.89951 56.12656 9.37900 1.000 33.62756 H ? A ? 105 HG2 1
   ATOM 2116 HG3 . ARG A 106 ? 0.80401 57.26958 9.24191 1.000 33.62756 H ? A ? 105 HG3 1
   ATOM 2117 HD2 . ARG A 106 ? 3.67142 57.65041 9.18493 1.000 34.35316 H ? A ? 105 HD2 1
   ATOM 2118 HD3 . ARG A 106 ? 2.64031 58.18713 8.10135 1.000 34.35316 H ? A ? 105 HD3 1
   ATOM 2119 HE . ARG A 106 ? 2.11988 59.66965 10.07533 1.000 47.90647 H ? A ? 105 HE 1
   ATOM 2120 HH11 . ARG A 106 ? 5.10315 59.15036 8.67431 1.000 38.08929 H ? A ? 105 HH11 1
   ATOM 2121 HH12 . ARG A 106 ? 5.70026 60.44789 9.09702 1.000 38.08929 H ? A ? 105 HH12 1
   ATOM 2122 HH21 . ARG A 106 ? 3.07164 61.64036 10.74187 1.000 32.35159 H ? A ? 105 HH21 1
   ATOM 2123 HH22 . ARG A 106 ? 4.47278 61.96097 10.35095 1.000 32.35159 H ? A ? 105 HH22 1
   ATOM 2124 H A ARG A 106 ? -0.73450 56.52009 11.23261 0.589 19.19089 H ? A ? 105 H 1
   ATOM 2125 H B ARG A 106 ? -0.72321 56.51496 11.21894 0.411 19.19089 H ? A ? 105 H 1
   ATOM 2126 N . ALA A 107 ? 0.75866 57.05438 14.02834 1.000 15.67470 N ? A ? 106 N 1
   ATOM 2127 CA . ALA A 107 ? 1.11103 57.32719 15.40531 1.000 16.51355 C ? A ? 106 CA 1
   ATOM 2128 C . ALA A 107 ? 0.89703 56.08105 16.22735 1.000 16.77848 C ? A ? 106 C 1
   ATOM 2129 O . ALA A 107 ? 1.71796 55.70228 17.07273 1.000 15.92286 O ? A ? 106 O 1
   ATOM 2130 CB . ALA A 107 ? 0.28509 58.53558 15.88531 1.000 16.63753 C ? A ? 106 CB 1
   ATOM 2131 H . ALA A 107 ? 0.09023 57.51003 13.73649 1.000 18.82228 H ? A ? 106 H 1
   ATOM 2132 HA . ALA A 107 ? 2.04406 57.57241 15.50636 1.000 19.82891 H ? A ? 106 HA 1
   ATOM 2133 HB1 . ALA A 107 ? 0.51725 58.73085 16.80665 1.000 19.97768 H ? A ? 106 HB1 1
   ATOM 2134 HB2 . ALA A 107 ? 0.48826 59.30004 15.32385 1.000 19.97768 H ? A ? 106 HB2 1
   ATOM 2135 HB3 . ALA A 107 ? -0.65822 58.31907 15.82065 1.000 19.97768 H ? A ? 106 HB3 1
   ATOM 2136 N . ALA A 108 ? -0.27370 55.49934 16.07385 1.000 15.02937 N ? A ? 107 N 1
   ATOM 2137 CA . ALA A 108 ? -0.59558 54.30630 16.86040 1.000 16.19401 C ? A ? 107 CA 1
   ATOM 2138 C . ALA A 108 ? 0.35246 53.16720 16.53126 1.000 15.32130 C ? A ? 107 C 1
   ATOM 2139 O . ALA A 108 ? 0.67907 52.37176 17.43214 1.000 16.34733 O ? A ? 107 O 1
   ATOM 2140 CB . ALA A 108 ? -2.02848 53.91040 16.65313 1.000 15.17426 C ? A ? 107 CB 1
   ATOM 2141 H . ALA A 108 ? -0.89209 55.76091 15.53647 1.000 18.04789 H ? A ? 107 H 1
   ATOM 2142 HA . ALA A 108 ? -0.49358 54.51118 17.80302 1.000 19.44546 H ? A ? 107 HA 1
   ATOM 2143 HB1 . ALA A 108 ? -2.21338 53.11126 17.17090 1.000 18.22175 H ? A ? 107 HB1 1
   ATOM 2144 HB2 . ALA A 108 ? -2.60209 54.63521 16.94728 1.000 18.22175 H ? A ? 107 HB2 1
   ATOM 2145 HB3 . ALA A 108 ? -2.17440 53.73484 15.71037 1.000 18.22175 H ? A ? 107 HB3 1
   ATOM 2146 N . PHE A 109 ? 0.73788 53.02912 15.29038 1.000 14.59824 N ? A ? 108 N 1
   ATOM 2147 CA . PHE A 109 ? 1.61693 51.92554 14.92253 1.000 15.13354 C ? A ? 108 CA 1
   ATOM 2148 C . PHE A 109 ? 2.93403 52.02795 15.67318 1.000 15.54083 C ? A ? 108 C 1
   ATOM 2149 O . PHE A 109 ? 3.51351 51.02915 16.17802 1.000 16.65930 O ? A ? 108 O 1
   ATOM 2150 H . PHE A 109 ? 0.51450 53.54737 14.64144 1.000 17.53053 H ? A ? 108 H 1
   ATOM 2151 HA . PHE A 109 ? 1.24865 51.06027 15.16043 1.000 18.17289 H ? A ? 108 HA 1
   ATOM 2152 CB A PHE A 109 ? 1.77111 51.96221 13.40193 0.585 15.15784 C ? A ? 108 CB 1
   ATOM 2153 CG A PHE A 109 ? 2.45372 50.76412 12.81229 0.585 15.18611 C ? A ? 108 CG 1
   ATOM 2154 CD1 A PHE A 109 ? 3.77578 50.83548 12.52276 0.585 16.80842 C ? A ? 108 CD1 1
   ATOM 2155 CD2 A PHE A 109 ? 1.72931 49.58729 12.49803 0.585 15.37402 C ? A ? 108 CD2 1
   ATOM 2156 CE1 A PHE A 109 ? 4.43686 49.76442 11.95822 0.585 16.18655 C ? A ? 108 CE1 1
   ATOM 2157 CE2 A PHE A 109 ? 2.40495 48.45227 11.94563 0.585 15.77080 C ? A ? 108 CE2 1
   ATOM 2158 CZ A PHE A 109 ? 3.76673 48.61540 11.63729 0.585 16.69731 C ? A ? 108 CZ 1
   ATOM 2159 HB2 A PHE A 109 ? 0.88846 52.02074 13.00394 0.585 18.20205 H ? A ? 108 HB2 1
   ATOM 2160 HB3 A PHE A 109 ? 2.29480 52.74324 13.16396 0.585 18.20205 H ? A ? 108 HB3 1
   ATOM 2161 HD1 A PHE A 109 ? 4.24393 51.61758 12.70730 0.585 20.18275 H ? A ? 108 HD1 1
   ATOM 2162 HD2 A PHE A 109 ? 0.81266 49.55219 12.65103 0.585 18.46147 H ? A ? 108 HD2 1
   ATOM 2163 HE1 A PHE A 109 ? 5.35022 49.82407 11.79354 0.585 19.43650 H ? A ? 108 HE1 1
   ATOM 2164 HE2 A PHE A 109 ? 1.96449 47.64659 11.79803 0.585 18.93760 H ? A ? 108 HE2 1
   ATOM 2165 HZ A PHE A 109 ? 4.22157 47.92819 11.20628 0.585 20.04942 H ? A ? 108 HZ 1
   ATOM 2166 CB B PHE A 109 ? 1.89971 51.96725 13.42071 0.415 15.25443 C ? A ? 108 CB 1
   ATOM 2167 CG B PHE A 109 ? 2.82368 50.87214 12.89644 0.415 13.25923 C ? A ? 108 CG 1
   ATOM 2168 CD1 B PHE A 109 ? 4.20018 51.03931 12.78561 0.415 16.00164 C ? A ? 108 CD1 1
   ATOM 2169 CD2 B PHE A 109 ? 2.25442 49.67161 12.44870 0.415 15.70380 C ? A ? 108 CD2 1
   ATOM 2170 CE1 B PHE A 109 ? 4.97094 50.01527 12.25381 0.415 16.13902 C ? A ? 108 CE1 1
   ATOM 2171 CE2 B PHE A 109 ? 3.05088 48.63708 11.87631 0.415 13.96743 C ? A ? 108 CE2 1
   ATOM 2172 CZ B PHE A 109 ? 4.38255 48.81760 11.80884 0.415 15.74301 C ? A ? 108 CZ 1
   ATOM 2173 HB2 B PHE A 109 ? 1.05632 51.88380 12.94887 0.415 18.31796 H ? A ? 108 HB2 1
   ATOM 2174 HB3 B PHE A 109 ? 2.31395 52.81908 13.21165 0.415 18.31796 H ? A ? 108 HB3 1
   ATOM 2175 HD1 B PHE A 109 ? 4.60050 51.83068 13.06555 0.415 19.21461 H ? A ? 108 HD1 1
   ATOM 2176 HD2 B PHE A 109 ? 1.33608 49.54733 12.52693 0.415 18.85720 H ? A ? 108 HD2 1
   ATOM 2177 HE1 B PHE A 109 ? 5.89254 50.12267 12.19049 0.415 19.37946 H ? A ? 108 HE1 1
   ATOM 2178 HE2 B PHE A 109 ? 2.65945 47.85615 11.55719 0.415 16.77356 H ? A ? 108 HE2 1
   ATOM 2179 HZ B PHE A 109 ? 4.92064 48.14213 11.46372 0.415 18.90425 H ? A ? 108 HZ 1
   ATOM 2180 N A GLY A 110 ? 3.44121 53.25596 15.79755 0.356 16.38820 N ? A ? 109 N 1
   ATOM 2181 CA A GLY A 110 ? 4.66239 53.46386 16.56914 0.356 18.47204 C ? A ? 109 CA 1
   ATOM 2182 C A GLY A 110 ? 4.48480 53.15877 18.04501 0.356 15.47353 C ? A ? 109 C 1
   ATOM 2183 O A GLY A 110 ? 5.35457 52.54444 18.68759 0.356 15.87927 O ? A ? 109 O 1
   ATOM 2184 H A GLY A 110 ? 3.10480 53.96840 15.45280 0.356 19.67849 H ? A ? 109 H 1
   ATOM 2185 HA2 A GLY A 110 ? 5.36154 52.88818 16.22173 0.356 22.17909 H ? A ? 109 HA2 1
   ATOM 2186 HA3 A GLY A 110 ? 4.94203 54.38853 16.48141 0.356 22.17909 H ? A ? 109 HA3 1
   ATOM 2187 N C GLY A 110 ? 3.45127 53.24296 15.74323 0.644 16.37320 N ? A ? 109 N 1
   ATOM 2188 CA C GLY A 110 ? 4.69156 53.46501 16.46410 0.644 18.66294 C ? A ? 109 CA 1
   ATOM 2189 C C GLY A 110 ? 4.57016 53.15207 17.93183 0.644 15.58319 C ? A ? 109 C 1
   ATOM 2190 O C GLY A 110 ? 5.47268 52.53094 18.53784 0.644 15.29092 O ? A ? 109 O 1
   ATOM 2191 H C GLY A 110 ? 3.10965 53.94744 15.38741 0.644 19.66048 H ? A ? 109 H 1
   ATOM 2192 HA2 C GLY A 110 ? 5.38580 52.90130 16.08839 0.644 22.40817 H ? A ? 109 HA2 1
   ATOM 2193 HA3 C GLY A 110 ? 4.95431 54.39408 16.37098 0.644 22.40817 H ? A ? 109 HA3 1
   ATOM 2194 N A ASP A 111 ? 3.36648 53.55109 18.60974 0.356 16.25842 N ? A ? 110 N 1
   ATOM 2195 CA A ASP A 111 ? 3.16789 53.26165 20.01742 0.356 15.60127 C ? A ? 110 CA 1
   ATOM 2196 C A ASP A 111 ? 2.97703 51.77394 20.26757 0.356 15.75913 C ? A ? 110 C 1
   ATOM 2197 O A ASP A 111 ? 3.40382 51.26100 21.31235 0.356 15.74815 O ? A ? 110 O 1
   ATOM 2198 CB A ASP A 111 ? 1.99346 54.07481 20.52090 0.356 18.40395 C ? A ? 110 CB 1
   ATOM 2199 CG A ASP A 111 ? 2.25741 55.58535 20.46132 0.356 18.17824 C ? A ? 110 CG 1
   ATOM 2200 OD1 A ASP A 111 ? 3.38459 56.04215 20.10896 0.356 18.25616 O ? A ? 110 OD1 1
   ATOM 2201 OD2 A ASP A 111 ? 1.29222 56.30598 20.80042 0.356 24.10055 O ? A ? 110 OD2 1
   ATOM 2202 H A ASP A 111 ? 2.72630 53.97183 18.21891 0.356 19.52275 H ? A ? 110 H 1
   ATOM 2203 HA A ASP A 111 ? 3.95158 53.52417 20.52517 0.356 18.73417 H ? A ? 110 HA 1
   ATOM 2204 HB2 A ASP A 111 ? 1.21656 53.88299 19.97270 0.356 22.09738 H ? A ? 110 HB2 1
   ATOM 2205 HB3 A ASP A 111 ? 1.81511 53.83644 21.44408 0.356 22.09738 H ? A ? 110 HB3 1
   ATOM 2206 N C ASP A 111 ? 3.47533 53.55750 18.52294 0.644 16.01283 N ? A ? 110 N 1
   ATOM 2207 CA C ASP A 111 ? 3.26689 53.26974 19.92895 0.644 15.31873 C ? A ? 110 CA 1
   ATOM 2208 C C ASP A 111 ? 3.08764 51.77393 20.18730 0.644 15.52728 C ? A ? 110 C 1
   ATOM 2209 O C ASP A 111 ? 3.58491 51.26228 21.19834 0.644 15.04318 O ? A ? 110 O 1
   ATOM 2210 CB C ASP A 111 ? 2.10813 54.11221 20.43771 0.644 18.37618 C ? A ? 110 CB 1
   ATOM 2211 CG C ASP A 111 ? 2.44907 55.62831 20.53017 0.644 15.84832 C ? A ? 110 CG 1
   ATOM 2212 OD1 C ASP A 111 ? 3.55742 55.96097 20.94185 0.644 20.97037 O ? A ? 110 OD1 1
   ATOM 2213 OD2 C ASP A 111 ? 1.49992 56.43759 20.28058 0.644 18.41024 O ? A ? 110 OD2 1
   ATOM 2214 H C ASP A 111 ? 2.84043 53.99637 18.14361 0.644 19.22804 H ? A ? 110 H 1
   ATOM 2215 HA C ASP A 111 ? 4.05098 53.52259 20.44097 0.644 18.39512 H ? A ? 110 HA 1
   ATOM 2216 HB2 C ASP A 111 ? 1.35657 54.01172 19.83276 0.644 22.06406 H ? A ? 110 HB2 1
   ATOM 2217 HB3 C ASP A 111 ? 1.86285 53.80685 21.32512 0.644 22.06406 H ? A ? 110 HB3 1
   ATOM 2218 N . VAL A 112 ? 2.34286 51.07633 19.34615 1.000 14.31621 N ? A ? 111 N 1
   ATOM 2219 CA . VAL A 112 ? 2.25198 49.62018 19.47977 1.000 13.71077 C ? A ? 111 CA 1
   ATOM 2220 C . VAL A 112 ? 3.65274 49.01787 19.45321 1.000 15.53105 C ? A ? 111 C 1
   ATOM 2221 O . VAL A 112 ? 4.00089 48.15414 20.28130 1.000 14.15382 O ? A ? 111 O 1
   ATOM 2222 CB . VAL A 112 ? 1.35928 48.99247 18.40450 1.000 13.99447 C ? A ? 111 CB 1
   ATOM 2223 CG1 . VAL A 112 ? 1.52443 47.49205 18.38032 1.000 13.98734 C ? A ? 111 CG1 1
   ATOM 2224 CG2 . VAL A 112 ? -0.10781 49.42329 18.58579 1.000 15.41715 C ? A ? 111 CG2 1
   ATOM 2225 HA . VAL A 112 ? 1.83426 49.42856 20.33398 1.000 16.46557 H ? A ? 111 HA 1
   ATOM 2226 HB . VAL A 112 ? 1.63595 49.31742 17.53342 1.000 16.80600 H ? A ? 111 HB 1
   ATOM 2227 HG11 . VAL A 112 ? 0.78919 47.10139 17.88262 1.000 16.79746 H ? A ? 111 HG11 1
   ATOM 2228 HG12 . VAL A 112 ? 2.36683 47.27393 17.95173 1.000 16.79746 H ? A ? 111 HG12 1
   ATOM 2229 HG13 . VAL A 112 ? 1.52092 47.15923 19.29142 1.000 16.79746 H ? A ? 111 HG13 1
   ATOM 2230 HG21 . VAL A 112 ? -0.61530 49.15242 17.80478 1.000 18.51322 H ? A ? 111 HG21 1
   ATOM 2231 HG22 . VAL A 112 ? -0.46704 48.99505 19.37855 1.000 18.51322 H ? A ? 111 HG22 1
   ATOM 2232 HG23 . VAL A 112 ? -0.14378 50.38747 18.68559 1.000 18.51322 H ? A ? 111 HG23 1
   ATOM 2233 H A VAL A 112 ? 1.96296 51.40471 18.64799 0.356 17.19210 H ? A ? 111 H 1
   ATOM 2234 H C VAL A 112 ? 1.88547 51.40919 18.69839 0.644 17.19210 H ? A ? 111 H 1
   ATOM 2235 N . GLY A 113 ? 4.47155 49.39396 18.48366 1.000 14.30866 N ? A ? 112 N 1
   ATOM 2236 CA . GLY A 113 ? 5.80177 48.83341 18.40485 1.000 15.12159 C ? A ? 112 CA 1
   ATOM 2237 C . GLY A 113 ? 6.59313 49.04486 19.65812 1.000 14.55382 C ? A ? 112 C 1
   ATOM 2238 O . GLY A 113 ? 7.35728 48.17242 20.09660 1.000 15.81645 O ? A ? 112 O 1
   ATOM 2239 H . GLY A 113 ? 4.28208 49.96426 17.86847 1.000 17.18303 H ? A ? 112 H 1
   ATOM 2240 HA2 . GLY A 113 ? 5.73757 47.87921 18.24274 1.000 18.15855 H ? A ? 112 HA2 1
   ATOM 2241 HA3 . GLY A 113 ? 6.28006 49.24721 17.66938 1.000 18.15855 H ? A ? 112 HA3 1
   ATOM 2242 N . ALA A 114 ? 6.50134 50.25256 20.22444 1.000 14.98049 N ? A ? 113 N 1
   ATOM 2243 CA . ALA A 114 ? 7.18178 50.56027 21.46070 1.000 15.36927 C ? A ? 113 CA 1
   ATOM 2244 C . ALA A 114 ? 6.71103 49.66334 22.58837 1.000 14.64276 C ? A ? 113 C 1
   ATOM 2245 O . ALA A 114 ? 7.49478 49.23657 23.43214 1.000 14.98913 O ? A ? 113 O 1
   ATOM 2246 CB . ALA A 114 ? 7.02367 52.02814 21.79738 1.000 16.79685 C ? A ? 113 CB 1
   ATOM 2247 H . ALA A 114 ? 6.04653 50.90810 19.90350 1.000 17.98923 H ? A ? 113 H 1
   ATOM 2248 HA . ALA A 114 ? 8.13164 50.39896 21.34823 1.000 18.45576 H ? A ? 113 HA 1
   ATOM 2249 HB1 . ALA A 114 ? 7.44876 52.20383 22.65139 1.000 20.16887 H ? A ? 113 HB1 1
   ATOM 2250 HB2 . ALA A 114 ? 7.44478 52.55856 21.10295 1.000 20.16887 H ? A ? 113 HB2 1
   ATOM 2251 HB3 . ALA A 114 ? 6.07856 52.24041 21.84844 1.000 20.16887 H ? A ? 113 HB3 1
   ATOM 2252 N . SER A 115 ? 5.42717 49.34106 22.59301 1.000 14.57999 N ? A ? 114 N 1
   ATOM 2253 CA . SER A 115 ? 4.90051 48.47535 23.62036 1.000 13.81026 C ? A ? 114 CA 1
   ATOM 2254 C . SER A 115 ? 5.36118 47.02037 23.46603 1.000 13.96153 C ? A ? 114 C 1
   ATOM 2255 O . SER A 115 ? 5.60322 46.37004 24.47716 1.000 15.18192 O ? A ? 114 O 1
   ATOM 2256 CB . SER A 115 ? 3.35090 48.62322 23.65884 1.000 15.03908 C ? A ? 114 CB 1
   ATOM 2257 OG . SER A 115 ? 2.77018 47.98715 24.72884 1.000 16.91757 O ? A ? 114 OG 1
   ATOM 2258 H . SER A 115 ? 4.84840 49.60971 22.01643 1.000 17.50863 H ? A ? 114 H 1
   ATOM 2259 HA . SER A 115 ? 5.24447 48.75256 24.48393 1.000 16.58495 H ? A ? 114 HA 1
   ATOM 2260 HB2 . SER A 115 ? 3.13506 49.56749 23.71053 1.000 18.05954 H ? A ? 114 HB2 1
   ATOM 2261 HB3 . SER A 115 ? 2.98723 48.24393 22.84350 1.000 18.05954 H ? A ? 114 HB3 1
   ATOM 2262 HG . SER A 115 ? 1.93882 48.10679 24.71756 1.000 20.31373 H ? A ? 114 HG 1
   ATOM 2263 N . CYS A 116 ? 5.53074 46.52811 22.25445 1.000 14.03455 N ? A ? 115 N 1
   ATOM 2264 CA . CYS A 116 ? 6.15082 45.22796 22.07211 1.000 15.29938 C ? A ? 115 CA 1
   ATOM 2265 C . CYS A 116 ? 7.51607 45.23863 22.71338 1.000 15.54466 C ? A ? 115 C 1
   ATOM 2266 O . CYS A 116 ? 7.88831 44.32571 23.45717 1.000 15.52549 O ? A ? 115 O 1
   ATOM 2267 CB . CYS A 116 ? 6.31180 44.91235 20.59565 1.000 15.65394 C ? A ? 115 CB 1
   ATOM 2268 SG . CYS A 116 ? 4.95221 45.12047 19.37480 1.000 15.90169 S ? A ? 115 SG 1
   ATOM 2269 H . CYS A 116 ? 5.29856 46.92112 21.52559 1.000 16.85410 H ? A ? 115 H 1
   ATOM 2270 HA . CYS A 116 ? 5.58393 44.54903 22.47033 1.000 18.37190 H ? A ? 115 HA 1
   ATOM 2271 HB2 . CYS A 116 ? 7.03476 45.47199 20.27156 1.000 18.79737 H ? A ? 115 HB2 1
   ATOM 2272 HB3 . CYS A 116 ? 6.56516 43.97769 20.53979 1.000 18.79737 H ? A ? 115 HB3 1
   ATOM 2273 N . LYS A 117 ? 8.33177 46.25291 22.36722 1.000 14.86291 N ? A ? 116 N 1
   ATOM 2274 CA . LYS A 117 ? 9.70806 46.32851 22.84206 1.000 15.91871 C ? A ? 116 CA 1
   ATOM 2275 C . LYS A 117 ? 9.74064 46.45456 24.32522 1.000 15.53249 C ? A ? 116 C 1
   ATOM 2276 O . LYS A 117 ? 10.64599 45.87549 24.97280 1.000 16.94726 O ? A ? 116 O 1
   ATOM 2277 CB . LYS A 117 ? 10.38159 47.50506 22.16491 1.000 17.10132 C ? A ? 116 CB 1
   ATOM 2278 CG . LYS A 117 ? 11.84339 47.60976 22.53952 1.000 20.28914 C ? A ? 116 CG 1
   ATOM 2279 CD . LYS A 117 ? 12.52741 48.70250 21.72015 1.000 31.77123 C ? A ? 116 CD 1
   ATOM 2280 CE . LYS A 117 ? 14.05613 48.79625 21.93044 1.000 41.33967 C ? A ? 116 CE 1
   ATOM 2281 NZ . LYS A 117 ? 14.39484 48.94156 23.36192 1.000 43.69780 N ? A ? 116 NZ 1
   ATOM 2282 H . LYS A 117 ? 8.10441 46.90700 21.85725 1.000 17.84814 H ? A ? 116 H 1
   ATOM 2283 HA . LYS A 117 ? 10.19838 45.52401 22.61125 1.000 19.11509 H ? A ? 116 HA 1
   ATOM 2284 HB2 . LYS A 117 ? 10.32119 47.39688 21.20286 1.000 20.53422 H ? A ? 116 HB2 1
   ATOM 2285 HB3 . LYS A 117 ? 9.93897 48.32484 22.43502 1.000 20.53422 H ? A ? 116 HB3 1
   ATOM 2286 HG2 . LYS A 117 ? 11.92297 47.83295 23.48013 1.000 24.35961 H ? A ? 116 HG2 1
   ATOM 2287 HG3 . LYS A 117 ? 12.28641 46.76568 22.36020 1.000 24.35961 H ? A ? 116 HG3 1
   ATOM 2288 HD2 . LYS A 117 ? 12.37187 48.52758 20.77882 1.000 38.13812 H ? A ? 116 HD2 1
   ATOM 2289 HD3 . LYS A 117 ? 12.14529 49.55952 21.96590 1.000 38.13812 H ? A ? 116 HD3 1
   ATOM 2290 HE2 . LYS A 117 ? 14.47678 47.98816 21.59736 1.000 49.62025 H ? A ? 116 HE2 1
   ATOM 2291 HE3 . LYS A 117 ? 14.39939 49.56905 21.45520 1.000 49.62025 H ? A ? 116 HE3 1
   ATOM 2292 HZ1 . LYS A 117 ? 15.19736 49.31653 23.44829 1.000 52.45001 H ? A ? 116 HZ1 1
   ATOM 2293 HZ2 . LYS A 117 ? 13.79108 49.45486 23.76700 1.000 52.45001 H ? A ? 116 HZ2 1
   ATOM 2294 HZ3 . LYS A 117 ? 14.40534 48.14304 23.75481 1.000 52.45001 H ? A ? 116 HZ3 1
   ATOM 2295 N . ALA A 118 ? 8.84879 47.17870 24.91301 1.000 15.60098 N ? A ? 117 N 1
   ATOM 2296 CA . ALA A 118 ? 8.84036 47.37318 26.35879 1.000 16.88796 C ? A ? 117 CA 1
   ATOM 2297 C . ALA A 118 ? 8.67619 46.04214 27.06584 1.000 15.40343 C ? A ? 117 C 1
   ATOM 2298 O . ALA A 118 ? 9.34210 45.72712 28.06210 1.000 16.24937 O ? A ? 117 O 1
   ATOM 2299 CB . ALA A 118 ? 7.70592 48.28526 26.79452 1.000 18.09849 C ? A ? 117 CB 1
   ATOM 2300 H . ALA A 118 ? 8.21153 47.58840 24.50602 1.000 18.73382 H ? A ? 117 H 1
   ATOM 2301 HA . ALA A 118 ? 9.67970 47.79327 26.60359 1.000 20.27819 H ? A ? 117 HA 1
   ATOM 2302 HB1 . ALA A 118 ? 7.71485 48.36047 27.76156 1.000 21.73083 H ? A ? 117 HB1 1
   ATOM 2303 HB2 . ALA A 118 ? 7.83182 49.15949 26.39357 1.000 21.73083 H ? A ? 117 HB2 1
   ATOM 2304 HB3 . ALA A 118 ? 6.86375 47.90451 26.50012 1.000 21.73083 H ? A ? 117 HB3 1
   ATOM 2305 N . CYS A 119 ? 7.79580 45.16868 26.55268 1.000 14.57003 N ? A ? 118 N 1
   ATOM 2306 CA . CYS A 119 ? 7.67068 43.82641 27.12282 1.000 14.06242 C ? A ? 118 CA 1
   ATOM 2307 C . CYS A 119 ? 8.92265 43.00219 26.89940 1.000 15.11328 C ? A ? 118 C 1
   ATOM 2308 O . CYS A 119 ? 9.43906 42.37712 27.84942 1.000 15.25347 O ? A ? 118 O 1
   ATOM 2309 CB . CYS A 119 ? 6.40218 43.12706 26.62706 1.000 13.97151 C ? A ? 118 CB 1
   ATOM 2310 SG . CYS A 119 ? 6.24973 41.59575 27.53738 1.000 13.99803 S ? A ? 118 SG 1
   ATOM 2311 H . CYS A 119 ? 7.27234 45.32811 25.88923 1.000 17.49668 H ? A ? 118 H 1
   ATOM 2312 HA . CYS A 119 ? 7.56552 43.91269 28.08324 1.000 16.88755 H ? A ? 118 HA 1
   ATOM 2313 HB2 . CYS A 119 ? 5.62451 43.68189 26.79528 1.000 16.77846 H ? A ? 118 HB2 1
   ATOM 2314 HB3 . CYS A 119 ? 6.47312 42.93388 25.67914 1.000 16.77846 H ? A ? 118 HB3 1
   ATOM 2315 N . HIS A 120 ? 9.43567 42.96986 25.69344 1.000 13.93750 N ? A ? 119 N 1
   ATOM 2316 CA . HIS A 120 ? 10.62633 42.18319 25.40592 1.000 15.41210 C ? A ? 119 CA 1
   ATOM 2317 C . HIS A 120 ? 11.82112 42.59964 26.28202 1.000 15.51474 C ? A ? 119 C 1
   ATOM 2318 O . HIS A 120 ? 12.60015 41.75607 26.75149 1.000 16.29335 O ? A ? 119 O 1
   ATOM 2319 CB . HIS A 120 ? 11.03766 42.30345 23.96367 1.000 15.00880 C ? A ? 119 CB 1
   ATOM 2320 CG . HIS A 120 ? 10.02592 41.73258 23.02856 1.000 14.36917 C ? A ? 119 CG 1
   ATOM 2321 ND1 . HIS A 120 ? 9.81867 42.22348 21.78525 1.000 16.58044 N ? A ? 119 ND1 1
   ATOM 2322 CD2 . HIS A 120 ? 9.13419 40.73245 23.18633 1.000 14.34533 C ? A ? 119 CD2 1
   ATOM 2323 CE1 . HIS A 120 ? 8.83504 41.52926 21.19888 1.000 15.52684 C ? A ? 119 CE1 1
   ATOM 2324 NE2 . HIS A 120 ? 8.41267 40.59829 22.03478 1.000 14.38974 N ? A ? 119 NE2 1
   ATOM 2325 H . HIS A 120 ? 9.11913 43.39294 25.01492 1.000 16.73765 H ? A ? 119 H 1
   ATOM 2326 HA . HIS A 120 ? 10.39244 41.26001 25.59013 1.000 18.50717 H ? A ? 119 HA 1
   ATOM 2327 HB2 . HIS A 120 ? 11.15376 43.24136 23.74516 1.000 18.02320 H ? A ? 119 HB2 1
   ATOM 2328 HB3 . HIS A 120 ? 11.87191 41.82639 23.83198 1.000 18.02320 H ? A ? 119 HB3 1
   ATOM 2329 HD1 . HIS A 120 ? 10.24953 42.87671 21.42853 1.000 19.90917 H ? A ? 119 HD1 1
   ATOM 2330 HD2 . HIS A 120 ? 9.02821 40.21834 23.95403 1.000 17.22704 H ? A ? 119 HD2 1
   ATOM 2331 HE1 . HIS A 120 ? 8.50357 41.67840 20.34285 1.000 18.64485 H ? A ? 119 HE1 1
   ATOM 2332 N . ASP A 121 ? 11.95467 43.88941 26.53943 1.000 15.60950 N ? A ? 120 N 1
   ATOM 2333 CA . ASP A 121 ? 13.08076 44.36583 27.35800 1.000 16.77153 C ? A ? 120 CA 1
   ATOM 2334 C . ASP A 121 ? 13.01819 43.85587 28.77277 1.000 17.86644 C ? A ? 120 C 1
   ATOM 2335 O . ASP A 121 ? 14.12660 43.59386 29.33496 1.000 20.85278 O ? A ? 120 O 1
   ATOM 2336 CB . ASP A 121 ? 13.19030 45.88664 27.31184 1.000 20.47142 C ? A ? 120 CB 1
   ATOM 2337 CG . ASP A 121 ? 13.65843 46.41789 25.92338 1.000 20.21928 C ? A ? 120 CG 1
   ATOM 2338 OD1 . ASP A 121 ? 14.22657 45.70427 25.07664 1.000 23.44944 O ? A ? 120 OD1 1
   ATOM 2339 OD2 . ASP A 121 ? 13.53401 47.63357 25.72134 1.000 24.01123 O ? A ? 120 OD2 1
   ATOM 2340 H . ASP A 121 ? 11.42324 44.50627 26.26254 1.000 18.74404 H ? A ? 120 H 1
   ATOM 2341 HA . ASP A 121 ? 13.89947 44.01889 26.97038 1.000 20.13848 H ? A ? 120 HA 1
   ATOM 2342 HB2 . ASP A 121 ? 12.32062 46.27176 27.50221 1.000 24.57835 H ? A ? 120 HB2 1
   ATOM 2343 HB3 . ASP A 121 ? 13.83443 46.17712 27.97639 1.000 24.57835 H ? A ? 120 HB3 1
   ATOM 2344 N . ALA A 122 ? 11.86813 43.53719 29.29318 1.000 17.59327 N ? A ? 121 N 1
   ATOM 2345 CA . ALA A 122 ? 11.72162 42.96421 30.61156 1.000 17.12557 C ? A ? 121 CA 1
   ATOM 2346 C . ALA A 122 ? 11.64092 41.45445 30.62757 1.000 16.68433 C ? A ? 121 C 1
   ATOM 2347 O . ALA A 122 ? 12.00979 40.85310 31.63402 1.000 18.22661 O ? A ? 121 O 1
   ATOM 2348 CB . ALA A 122 ? 10.50809 43.55461 31.30943 1.000 19.20224 C ? A ? 121 CB 1
   ATOM 2349 H . ALA A 122 ? 11.11641 43.64512 28.88960 1.000 21.12457 H ? A ? 121 H 1
   ATOM 2350 HA . ALA A 122 ? 12.50866 43.20209 31.12623 1.000 20.56332 H ? A ? 121 HA 1
   ATOM 2351 HB1 . ALA A 122 ? 10.44424 43.18075 32.20220 1.000 23.05533 H ? A ? 121 HB1 1
   ATOM 2352 HB2 . ALA A 122 ? 10.61083 44.51779 31.36073 1.000 23.05533 H ? A ? 121 HB2 1
   ATOM 2353 HB3 . ALA A 122 ? 9.71247 43.33346 30.80053 1.000 23.05533 H ? A ? 121 HB3 1
   ATOM 2354 N . TYR A 123 ? 11.09555 40.82147 29.57654 1.000 16.69948 N ? A ? 122 N 1
   ATOM 2355 CA . TYR A 123 ? 10.58667 39.46558 29.68433 1.000 15.31617 C ? A ? 122 CA 1
   ATOM 2356 C . TYR A 123 ? 11.02528 38.53308 28.59505 1.000 14.13178 C ? A ? 122 C 1
   ATOM 2357 O . TYR A 123 ? 10.64089 37.34923 28.64999 1.000 15.87460 O ? A ? 122 O 1
   ATOM 2358 CB . TYR A 123 ? 9.07015 39.52739 29.76185 1.000 15.75389 C ? A ? 122 CB 1
   ATOM 2359 CG . TYR A 123 ? 8.55772 40.22116 31.00411 1.000 16.03695 C ? A ? 122 CG 1
   ATOM 2360 CD1 . TYR A 123 ? 8.86684 39.77538 32.26322 1.000 16.77533 C ? A ? 122 CD1 1
   ATOM 2361 CD2 . TYR A 123 ? 7.73311 41.35693 30.90064 1.000 17.13085 C ? A ? 122 CD2 1
   ATOM 2362 CE1 . TYR A 123 ? 8.41102 40.44695 33.40146 1.000 17.71656 C ? A ? 122 CE1 1
   ATOM 2363 CE2 . TYR A 123 ? 7.17495 41.99018 32.02996 1.000 17.49086 C ? A ? 122 CE2 1
   ATOM 2364 CZ . TYR A 123 ? 7.52167 41.56673 33.25254 1.000 18.16483 C ? A ? 122 CZ 1
   ATOM 2365 OH . TYR A 123 ? 6.95509 42.16615 34.37755 1.000 21.93597 O ? A ? 122 OH 1
   ATOM 2366 H . TYR A 123 ? 11.01336 41.16576 28.79276 1.000 20.05202 H ? A ? 122 H 1
   ATOM 2367 HA . TYR A 123 ? 10.92319 39.06247 30.49990 1.000 18.39204 H ? A ? 122 HA 1
   ATOM 2368 HB2 . TYR A 123 ? 8.73703 40.01331 28.99126 1.000 18.91732 H ? A ? 122 HB2 1
   ATOM 2369 HB3 . TYR A 123 ? 8.71969 38.62291 29.76062 1.000 18.91732 H ? A ? 122 HB3 1
   ATOM 2370 HD1 . TYR A 123 ? 9.38927 39.01234 32.36192 1.000 20.14304 H ? A ? 122 HD1 1
   ATOM 2371 HD2 . TYR A 123 ? 7.54972 41.70226 30.05683 1.000 20.56967 H ? A ? 122 HD2 1
   ATOM 2372 HE1 . TYR A 123 ? 8.68079 40.17170 34.24784 1.000 21.27252 H ? A ? 122 HE1 1
   ATOM 2373 HE2 . TYR A 123 ? 6.57406 42.69254 31.92739 1.000 21.00167 H ? A ? 122 HE2 1
   ATOM 2374 HH . TYR A 123 ? 6.52402 42.85088 34.15187 1.000 26.33580 H ? A ? 122 HH 1
   ATOM 2375 N . PHE A 124 ? 11.78998 38.97100 27.64778 1.000 16.32602 N ? A ? 123 N 1
   ATOM 2376 CA . PHE A 124 ? 12.27634 38.11423 26.59371 1.000 15.53423 C ? A ? 123 CA 1
   ATOM 2377 C . PHE A 124 ? 13.76417 37.78147 26.80200 1.000 16.87705 C ? A ? 123 C 1
   ATOM 2378 O . PHE A 124 ? 14.55416 38.68646 27.07174 1.000 19.35908 O ? A ? 123 O 1
   ATOM 2379 CB . PHE A 124 ? 12.06097 38.73107 25.19803 1.000 17.57046 C ? A ? 123 CB 1
   ATOM 2380 CG . PHE A 124 ? 12.54880 37.87340 24.03650 1.000 16.49217 C ? A ? 123 CG 1
   ATOM 2381 CD1 . PHE A 124 ? 11.68950 36.97087 23.44029 1.000 17.56449 C ? A ? 123 CD1 1
   ATOM 2382 CD2 . PHE A 124 ? 13.88823 37.96364 23.53370 1.000 18.94613 C ? A ? 123 CD2 1
   ATOM 2383 CE1 . PHE A 124 ? 12.07010 36.20785 22.39887 1.000 17.33060 C ? A ? 123 CE1 1
   ATOM 2384 CE2 . PHE A 124 ? 14.27872 37.15655 22.48083 1.000 22.12126 C ? A ? 123 CE2 1
   ATOM 2385 CZ . PHE A 124 ? 13.37541 36.28459 21.90178 1.000 19.42101 C ? A ? 123 CZ 1
   ATOM 2386 H . PHE A 124 ? 12.05541 39.78644 27.58290 1.000 19.60386 H ? A ? 123 H 1
   ATOM 2387 HA . PHE A 124 ? 11.77752 37.28336 26.63532 1.000 18.65371 H ? A ? 123 HA 1
   ATOM 2388 HB2 . PHE A 124 ? 11.11100 38.88052 25.07100 1.000 21.09719 H ? A ? 123 HB2 1
   ATOM 2389 HB3 . PHE A 124 ? 12.53786 39.57477 25.15765 1.000 21.09719 H ? A ? 123 HB3 1
   ATOM 2390 HD1 . PHE A 124 ? 10.82307 36.88812 23.76793 1.000 21.09004 H ? A ? 123 HD1 1
   ATOM 2391 HD2 . PHE A 124 ? 14.49105 38.56146 23.91334 1.000 22.74800 H ? A ? 123 HD2 1
   ATOM 2392 HE1 . PHE A 124 ? 11.46056 35.62511 22.00673 1.000 20.80936 H ? A ? 123 HE1 1
   ATOM 2393 HE2 . PHE A 124 ? 15.15107 37.20041 22.16149 1.000 26.55815 H ? A ? 123 HE2 1
   ATOM 2394 HZ . PHE A 124 ? 13.63442 35.75153 21.18508 1.000 23.31785 H ? A ? 123 HZ 1
   ATOM 2395 N . LYS A 125 ? 14.15645 36.51084 26.73066 1.000 17.49931 N ? A ? 124 N 1
   ATOM 2396 CA . LYS A 125 ? 15.56313 36.07880 26.92768 1.000 23.12999 C ? A ? 124 CA 1
   ATOM 2397 C . LYS A 125 ? 16.34434 36.45099 25.67458 1.000 34.42017 C ? A ? 124 C 1
   ATOM 2398 O . LYS A 125 ? 16.29976 35.73283 24.66624 1.000 35.13566 O ? A ? 124 O 1
   ATOM 2399 CB . LYS A 125 ? 15.68279 34.57073 27.11492 1.000 24.75879 C ? A ? 124 CB 1
   ATOM 2400 CG . LYS A 125 ? 15.27294 34.15969 28.44904 1.000 22.76556 C ? A ? 124 CG 1
   ATOM 2401 CD . LYS A 125 ? 15.56194 32.62144 28.70624 1.000 33.17499 C ? A ? 124 CD 1
   ATOM 2402 CE . LYS A 125 ? 15.34384 32.27201 30.16958 1.000 21.89965 C ? A ? 124 CE 1
   ATOM 2403 NZ . LYS A 125 ? 15.59418 30.81732 30.45108 1.000 17.34141 N ? A ? 124 NZ 1
   ATOM 2404 H . LYS A 125 ? 13.62311 35.85656 26.56613 1.000 21.01182 H ? A ? 124 H 1
   ATOM 2405 HA . LYS A 125 ? 15.90108 36.53221 27.71579 1.000 27.76863 H ? A ? 124 HA 1
   ATOM 2406 HB2 . LYS A 125 ? 15.11399 34.12238 26.46967 1.000 29.72319 H ? A ? 124 HB2 1
   ATOM 2407 HB3 . LYS A 125 ? 16.60641 34.30469 26.98433 1.000 29.72319 H ? A ? 124 HB3 1
   ATOM 2408 HG2 . LYS A 125 ? 15.76400 34.67515 29.10787 1.000 27.33132 H ? A ? 124 HG2 1
   ATOM 2409 HG3 . LYS A 125 ? 14.32038 34.31102 28.55218 1.000 27.33132 H ? A ? 124 HG3 1
   ATOM 2410 HD2 . LYS A 125 ? 14.96032 32.08379 28.16783 1.000 39.82263 H ? A ? 124 HD2 1
   ATOM 2411 HD3 . LYS A 125 ? 16.48251 32.42118 28.47527 1.000 39.82263 H ? A ? 124 HD3 1
   ATOM 2412 HE2 . LYS A 125 ? 15.95234 32.79412 30.71550 1.000 26.29223 H ? A ? 124 HE2 1
   ATOM 2413 HE3 . LYS A 125 ? 14.42609 32.47258 30.41125 1.000 26.29223 H ? A ? 124 HE3 1
   ATOM 2414 HZ1 . LYS A 125 ? 15.31303 30.61305 31.27042 1.000 20.82234 H ? A ? 124 HZ1 1
   ATOM 2415 HZ2 . LYS A 125 ? 15.15706 30.31362 29.86176 1.000 20.82234 H ? A ? 124 HZ2 1
   ATOM 2416 HZ3 . LYS A 125 ? 16.46460 30.64127 30.39213 1.000 20.82234 H ? A ? 124 HZ3 1
   ATOM 2417 N . LYS A 126 ? 17.00269 37.59514 25.69287 1.000 46.40740 N ? A ? 125 N 1
   ATOM 2418 CA . LYS A 126 ? 17.79075 38.01595 24.52270 1.000 59.68872 C ? A ? 125 CA 1
   ATOM 2419 C . LYS A 126 ? 19.06533 37.15465 24.36405 1.000 62.72537 C ? A ? 125 C 1
   ATOM 2420 O . LYS A 126 ? 19.53231 36.48735 25.31113 1.000 56.74252 O ? A ? 125 O 1
   ATOM 2421 CB . LYS A 126 ? 18.15008 39.51085 24.61631 1.000 65.94381 C ? A ? 125 CB 1
   ATOM 2422 CG . LYS A 126 ? 16.95302 40.48971 24.59304 1.000 57.61969 C ? A ? 125 CG 1
   ATOM 2423 CD . LYS A 126 ? 17.45500 41.95911 24.74565 1.000 73.73648 C ? A ? 125 CD 1
   ATOM 2424 CE . LYS A 126 ? 16.32482 42.99184 24.90347 1.000 62.68809 C ? A ? 125 CE 1
   ATOM 2425 NZ . LYS A 126 ? 16.84109 44.40085 25.08073 1.000 52.28310 N ? A ? 125 NZ 1
   ATOM 2426 H . LYS A 126 ? 17.01592 38.14440 26.35449 1.000 55.70152 H ? A ? 125 H 1
   ATOM 2427 HA . LYS A 126 ? 17.25541 37.89344 23.72314 1.000 71.63910 H ? A ? 125 HA 1
   ATOM 2428 HB2 . LYS A 126 ? 18.62632 39.65796 25.44845 1.000 79.14522 H ? A ? 125 HB2 1
   ATOM 2429 HB3 . LYS A 126 ? 18.71988 39.73470 23.86391 1.000 79.14522 H ? A ? 125 HB3 1
   ATOM 2430 HG2 . LYS A 126 ? 16.48196 40.40888 23.74896 1.000 69.15627 H ? A ? 125 HG2 1
   ATOM 2431 HG3 . LYS A 126 ? 16.35310 40.28887 25.32833 1.000 69.15627 H ? A ? 125 HG3 1
   ATOM 2432 HD2 . LYS A 126 ? 18.01816 42.01616 25.53337 1.000 88.49642 H ? A ? 125 HD2 1
   ATOM 2433 HD3 . LYS A 126 ? 17.96438 42.19841 23.95561 1.000 88.49642 H ? A ? 125 HD3 1
   ATOM 2434 HE2 . LYS A 126 ? 15.76740 42.97450 24.10981 1.000 75.23836 H ? A ? 125 HE2 1
   ATOM 2435 HE3 . LYS A 126 ? 15.79653 42.76568 25.68492 1.000 75.23836 H ? A ? 125 HE3 1
   ATOM 2436 HZ1 . LYS A 126 ? 16.20766 44.91456 25.43704 1.000 62.75236 H ? A ? 125 HZ1 1
   ATOM 2437 HZ2 . LYS A 126 ? 17.54936 44.39997 25.61966 1.000 62.75236 H ? A ? 125 HZ2 1
   ATOM 2438 HZ3 . LYS A 126 ? 17.07827 44.73954 24.29260 1.000 62.75236 H ? A ? 125 HZ3 1
   HETATM 2439 N . PCA A 1 ? -5.59796 24.19402 28.08648 1.000 13.58103 N ? A ? 126 N 1
   HETATM 2440 CA . PCA A 1 ? -5.65970 23.39589 26.87824 1.000 15.06213 C ? A ? 126 CA 1
   HETATM 2441 C . PCA A 1 ? -4.34915 22.69435 26.49930 1.000 15.43087 C ? A ? 126 C 1
   HETATM 2442 O . PCA A 1 ? -4.18454 22.23082 25.39882 1.000 18.51732 O ? A ? 126 O 1
   HETATM 2443 CB . PCA A 1 ? -6.06155 24.39553 25.81597 1.000 16.58685 C ? A ? 126 CB 1
   HETATM 2444 CG . PCA A 1 ? -5.49592 25.71199 26.31001 1.000 14.66906 C ? A ? 126 CG 1
   HETATM 2445 CD . PCA A 1 ? -5.41976 25.50273 27.82225 1.000 14.29968 C ? A ? 126 CD 1
   HETATM 2446 OE . PCA A 1 ? -5.22495 26.36861 28.59792 1.000 13.98315 O ? A ? 126 OE 1
   HETATM 2447 H2 . PCA A 1 ? -6.38127 24.57983 28.27125 1.000 16.30988 H ? A ? 126 H2 1
   HETATM 2448 HA . PCA A 1 ? -6.27846 22.65503 26.97396 1.000 18.08719 H ? A ? 126 HA 1
   HETATM 2449 HB2 . PCA A 1 ? -5.69378 24.14332 24.95456 1.000 19.91686 H ? A ? 126 HB2 1
   HETATM 2450 HB3 . PCA A 1 ? -7.02682 24.42674 25.72555 1.000 19.91686 H ? A ? 126 HB3 1
   HETATM 2451 HG2 . PCA A 1 ? -4.61224 25.91178 25.96346 1.000 17.61551 H ? A ? 126 HG2 1
   HETATM 2452 HG3 . PCA A 1 ? -6.05948 26.47690 26.11454 1.000 17.61551 H ? A ? 126 HG3 1
   HETATM 2453 NB . HEC A 1127 ? 5.84892 40.45230 20.33502 1.000 13.47579 N ? B ? . NB 1
   HETATM 2454 ND . HEC A 1127 ? 7.28522 37.82856 23.13142 1.000 12.76294 N ? B ? . ND 1
   HETATM 2455 C1A . HEC A 1127 ? 8.07452 36.81502 20.41812 1.000 13.11770 C ? B ? . C1A 1
   HETATM 2456 C1B . HEC A 1127 ? 6.10065 40.46911 19.03396 1.000 13.15672 C ? B ? . C1B 1
   HETATM 2457 C1C . HEC A 1127 ? 4.81049 41.29515 23.09813 1.000 12.32528 C ? B ? . C1C 1
   HETATM 2458 C1D . HEC A 1127 ? 7.10417 37.85663 24.48530 1.000 12.81643 C ? B ? . C1D 1
   HETATM 2459 C2A . HEC A 1127 ? 8.39661 36.30717 19.09936 1.000 14.61202 C ? B ? . C2A 1
   HETATM 2460 C2B . HEC A 1127 ? 5.50789 41.64851 18.41914 1.000 14.41303 C ? B ? . C2B 1
   HETATM 2461 C2C . HEC A 1127 ? 4.33233 41.73687 24.39319 1.000 12.94978 C ? B ? . C2C 1
   HETATM 2462 C2D . HEC A 1127 ? 7.74353 36.75505 25.15207 1.000 12.74507 C ? B ? . C2D 1
   HETATM 2463 C3A . HEC A 1127 ? 7.94384 37.23770 18.16653 1.000 14.21090 C ? B ? . C3A 1
   HETATM 2464 C3B . HEC A 1127 ? 4.84246 42.26489 19.41671 1.000 13.59638 C ? B ? . C3B 1
   HETATM 2465 C3C . HEC A 1127 ? 4.87688 40.89885 25.31145 1.000 12.79451 C ? B ? . C3C 1
   HETATM 2466 C3D . HEC A 1127 ? 8.25127 35.95923 24.11578 1.000 12.80907 C ? B ? . C3D 1
   HETATM 2467 C4A . HEC A 1127 ? 7.36949 38.29747 18.91244 1.000 14.46848 C ? B ? . C4A 1
   HETATM 2468 C4B . HEC A 1127 ? 5.05677 41.54967 20.64313 1.000 13.03517 C ? B ? . C4B 1
   HETATM 2469 C4C . HEC A 1127 ? 5.64549 39.91985 24.58330 1.000 12.55667 C ? B ? . C4C 1
   HETATM 2470 C4D . HEC A 1127 ? 8.01096 36.66816 22.87803 1.000 12.35111 C ? B ? . C4D 1
   HETATM 2471 CAA . HEC A 1127 ? 9.09666 34.98357 18.80323 1.000 14.22024 C ? B ? . CAA 1
   HETATM 2472 CAB . HEC A 1127 ? 4.03376 43.56778 19.34691 1.000 14.54400 C ? B ? . CAB 1
   HETATM 2473 CAC . HEC A 1127 ? 4.77409 40.90121 26.80404 1.000 13.85560 C ? B ? . CAC 1
   HETATM 2474 CAD . HEC A 1127 ? 8.95092 34.61474 24.28071 1.000 13.54365 C ? B ? . CAD 1
   HETATM 2475 CBA . HEC A 1127 ? 8.05943 33.86586 18.73598 1.000 15.31189 C ? B ? . CBA 1
   HETATM 2476 CBB . HEC A 1127 ? 3.14890 43.69583 18.08143 1.000 14.45508 C ? B ? . CBB 1
   HETATM 2477 CBC . HEC A 1127 ? 3.47882 41.51898 27.38469 1.000 14.17343 C ? B ? . CBC 1
   HETATM 2478 CBD . HEC A 1127 ? 7.90162 33.47448 24.17974 1.000 12.83532 C ? B ? . CBD 1
   HETATM 2479 CGA . HEC A 1127 ? 8.67785 32.55400 18.33031 1.000 16.97591 C ? B ? . CGA 1
   HETATM 2480 CGD . HEC A 1127 ? 8.53898 32.11615 24.40819 1.000 13.92173 C ? B ? . CGD 1
   HETATM 2481 CHA . HEC A 1127 ? 8.33677 36.22728 21.65483 1.000 13.72636 C ? B ? . CHA 1
   HETATM 2482 CHB . HEC A 1127 ? 6.81339 39.49278 18.36260 1.000 14.14528 C ? B ? . CHB 1
   HETATM 2483 CHC . HEC A 1127 ? 4.54668 41.90901 21.87916 1.000 13.62481 C ? B ? . CHC 1
   HETATM 2484 CHD . HEC A 1127 ? 6.40739 38.84612 25.14701 1.000 12.89006 C ? B ? . CHD 1
   HETATM 2485 CMA . HEC A 1127 ? 8.02073 37.15926 16.67601 1.000 16.56063 C ? B ? . CMA 1
   HETATM 2486 CMB . HEC A 1127 ? 5.66244 41.98895 16.94242 1.000 16.58950 C ? B ? . CMB 1
   HETATM 2487 CMC . HEC A 1127 ? 3.41633 42.94303 24.54839 1.000 12.84876 C ? B ? . CMC 1
   HETATM 2488 CMD . HEC A 1127 ? 7.75562 36.48316 26.59477 1.000 14.72690 C ? B ? . CMD 1
   HETATM 2489 NA . HEC A 1127 ? 7.42507 38.03362 20.22810 1.000 12.57834 N ? B ? . NA 1
   HETATM 2490 NC . HEC A 1127 ? 5.62018 40.16782 23.28793 1.000 11.86089 N ? B ? . NC 1
   HETATM 2491 O1A . HEC A 1127 ? 9.29832 31.87989 19.18583 1.000 15.78900 O ? B ? . O1A 1
   HETATM 2492 O1D . HEC A 1127 ? 8.09441 31.33999 25.24036 1.000 13.49372 O ? B ? . O1D 1
   HETATM 2493 O2A . HEC A 1127 ? 8.52396 32.19621 17.14042 1.000 20.93109 O ? B ? . O2A 1
   HETATM 2494 O2D . HEC A 1127 ? 9.60079 31.81559 23.69571 1.000 13.55012 O ? B ? . O2D 1
   HETATM 2495 FE . HEC A 1127 ? 6.76497 39.27564 21.77377 1.000 12.72141 Fe ? B ? . FE 1
   HETATM 2496 O1 . SO4 A 1128 ? -4.53021 68.38981 11.33096 0.657 47.37720 O ? C ? . O1 1
   HETATM 2497 O2 . SO4 A 1128 ? -6.96928 67.81715 11.08496 0.657 38.56673 O ? C ? . O2 1
   HETATM 2498 O3 . SO4 A 1128 ? -5.76315 67.28396 13.13799 0.657 56.46067 O ? C ? . O3 1
   HETATM 2499 O4 . SO4 A 1128 ? -6.21197 69.62218 12.58574 0.657 43.46696 O ? C ? . O4 1
   HETATM 2500 S . SO4 A 1128 ? -5.87537 68.28011 12.01914 0.657 56.68608 S ? C ? . S 1
   HETATM 2501 O . HOH A 2001 ? -4.73880 28.91326 27.85250 0.848 14.33305 O ? D ? . O 1
   HETATM 2502 O . HOH A 2002 ? -3.09856 26.90008 30.31926 0.771 14.92335 O ? D ? . O 1
   HETATM 2503 O . HOH A 2003 ? -4.24978 19.01566 24.96743 0.826 21.30778 O ? D ? . O 1
   HETATM 2504 O . HOH A 2004 ? -6.16830 21.00755 23.80938 0.723 27.68920 O ? D ? . O 1
   HETATM 2505 O . HOH A 2006 ? 5.17551 18.04002 31.58781 0.838 20.66871 O ? D ? . O 1
   HETATM 2506 O . HOH A 2008 ? -1.78238 21.83006 22.44564 0.965 23.64927 O ? D ? . O 1
   HETATM 2507 O . HOH A 2010 ? -1.68514 19.86415 24.47853 0.982 20.16038 O ? D ? . O 1
   HETATM 2509 O . HOH A 2012 ? 9.78259 38.58246 13.80318 0.876 37.35067 O ? D ? . O 1
   HETATM 2511 O . HOH A 2016 ? 0.98435 14.77892 26.07401 0.679 27.66276 O ? D ? . O 1
   HETATM 2514 O . HOH A 2021 ? 7.57131 18.85732 30.37025 0.742 17.18990 O ? D ? . O 1
   HETATM 2515 O . HOH A 2022 ? 11.14921 19.35365 25.75001 0.735 17.81011 O ? D ? . O 1
   HETATM 2516 O . HOH A 2023 ? 7.47508 23.65047 22.53718 0.797 21.82660 O ? D ? . O 1
   HETATM 2517 O . HOH A 2024 ? 10.16071 21.77346 29.45139 0.767 16.56857 O ? D ? . O 1
   HETATM 2519 O . HOH A 2026 ? 8.48387 36.13315 13.30780 0.881 25.28188 O ? D ? . O 1
   HETATM 2522 O . HOH A 2030 ? 1.87610 16.91278 24.75802 0.955 26.39373 O ? D ? . O 1
   HETATM 2523 O . HOH A 2031 ? -0.10880 23.94673 21.58334 0.772 23.58180 O ? D ? . O 1
   HETATM 2524 O . HOH A 2033 ? 8.00844 44.70375 12.60232 0.603 32.15806 O ? D ? . O 1
   HETATM 2525 O . HOH A 2034 ? 8.72655 40.73076 14.99039 1.000 33.33831 O ? D ? . O 1
   HETATM 2526 O . HOH A 2035 ? 2.87532 46.30994 2.03205 0.956 16.58103 O ? D ? . O 1
   HETATM 2527 O . HOH A 2036 ? 0.13062 46.35252 1.86608 0.892 14.66411 O ? D ? . O 1
   HETATM 2529 O . HOH A 2038 ? 13.23662 38.72685 40.57115 0.999 31.91951 O ? D ? . O 1
   HETATM 2530 O . HOH A 2039 ? 4.60911 19.01631 22.68752 0.986 34.53656 O ? D ? . O 1
   HETATM 2531 O . HOH A 2042 ? 7.54583 52.50788 10.85214 0.964 38.75864 O ? D ? . O 1
   HETATM 2532 O . HOH A 2043 ? 8.02801 48.62858 14.03581 0.740 29.88880 O ? D ? . O 1
   HETATM 2534 O . HOH A 2045 ? 0.46933 57.04060 2.41420 0.801 16.54730 O ? D ? . O 1
   HETATM 2535 O . HOH A 2046 ? 4.13071 58.71667 0.95786 0.812 17.56004 O ? D ? . O 1
   HETATM 2537 O . HOH A 2048 ? 4.77917 46.70649 0.15899 0.448 13.99311 O ? D ? . O 1
   HETATM 2538 O . HOH A 2049 ? 10.26958 51.18823 -1.15549 0.786 27.99688 O ? D ? . O 1
   HETATM 2540 O . HOH A 2051 ? -7.09748 56.90144 -1.33892 0.966 34.38405 O ? D ? . O 1
   HETATM 2541 O . HOH A 2055 ? -12.98983 52.30149 3.21819 0.842 28.07654 O ? D ? . O 1
   HETATM 2542 O . HOH A 2056 ? 11.95397 27.64988 22.07292 0.998 19.63023 O ? D ? . O 1
   HETATM 2543 O . HOH A 2057 ? 7.77303 27.63264 17.78563 0.703 21.96558 O ? D ? . O 1
   HETATM 2545 O . HOH A 2060 ? -8.19587 56.78381 2.40140 0.905 28.44146 O ? D ? . O 1
   HETATM 2546 O . HOH A 2061 ? -12.66852 44.41872 3.78662 0.896 27.78269 O ? D ? . O 1
   HETATM 2547 O . HOH A 2062 ? -14.12466 48.34903 5.41878 0.832 20.07102 O ? D ? . O 1
   HETATM 2548 O . HOH A 2068 ? -9.70720 39.63051 7.02057 1.000 26.05291 O ? D ? . O 1
   HETATM 2549 O . HOH A 2070 ? -11.70685 39.51712 11.41526 0.855 25.28082 O ? D ? . O 1
   HETATM 2550 O . HOH A 2071 ? -5.89891 38.24604 7.11626 0.602 19.75201 O ? D ? . O 1
   HETATM 2551 O . HOH A 2073 ? 6.23006 36.51323 11.96538 1.000 19.69746 O ? D ? . O 1
   HETATM 2552 O . HOH A 2074 ? -10.92520 47.91591 19.79473 0.772 19.63482 O ? D ? . O 1
   HETATM 2553 O . HOH A 2075 ? -14.70833 49.52332 18.26103 0.843 41.00286 O ? D ? . O 1
   HETATM 2554 O . HOH A 2076 ? -10.51497 39.30197 20.85265 0.974 37.26200 O ? D ? . O 1
   HETATM 2555 O . HOH A 2077 ? -9.53781 35.31195 22.81678 0.990 22.93908 O ? D ? . O 1
   HETATM 2556 O . HOH A 2078 ? -7.45509 34.63510 26.38349 0.634 24.30635 O ? D ? . O 1
   HETATM 2557 O . HOH A 2079 ? -5.15612 36.14693 29.18435 0.811 21.51059 O ? D ? . O 1
   HETATM 2559 O . HOH A 2081 ? -3.79507 37.20371 33.48417 0.988 30.44183 O ? D ? . O 1
   HETATM 2560 O . HOH A 2083 ? 6.64137 42.53867 13.34138 0.787 25.77040 O ? D ? . O 1
   HETATM 2561 O . HOH A 2084 ? 6.88930 38.86351 10.68538 1.000 28.16845 O ? D ? . O 1
   HETATM 2562 O . HOH A 2085 ? 4.90084 38.75462 7.51114 0.996 21.37568 O ? D ? . O 1
   HETATM 2563 O . HOH A 2087 ? 12.98102 35.03990 18.22618 0.790 29.92103 O ? D ? . O 1
   HETATM 2564 O . HOH A 2088 ? 16.53917 27.75748 22.14227 0.841 44.42212 O ? D ? . O 1
   HETATM 2566 O . HOH A 2090 ? 7.53223 44.91036 6.54905 0.776 28.14794 O ? D ? . O 1
   HETATM 2567 O . HOH A 2091 ? 16.51556 34.68865 32.23914 0.599 29.05265 O ? D ? . O 1
   HETATM 2568 O . HOH A 2092 ? 14.18681 36.36785 39.54408 0.879 21.59962 O ? D ? . O 1
   HETATM 2572 O . HOH A 2096 ? 3.45345 43.97319 3.43927 0.904 15.92913 O ? D ? . O 1
   HETATM 2573 O . HOH A 2097 ? -3.91513 38.61198 3.42934 0.800 22.31697 O ? D ? . O 1
   HETATM 2574 O . HOH A 2098 ? 6.09070 41.20659 8.88273 0.745 26.12420 O ? D ? . O 1
   HETATM 2577 O . HOH A 2101 ? -0.16476 45.55445 4.58093 0.942 18.03823 O ? D ? . O 1
   HETATM 2578 O . HOH A 2104 ? -0.36844 46.47202 39.07294 0.815 26.22898 O ? D ? . O 1
   HETATM 2579 O . HOH A 2105 ? 1.79125 49.80463 36.64378 0.660 16.92851 O ? D ? . O 1
   HETATM 2580 O . HOH A 2111 ? 2.09988 57.26600 4.77714 0.716 19.04340 O ? D ? . O 1
   HETATM 2582 O . HOH A 2113 ? -8.89424 45.07553 23.64077 0.882 28.61666 O ? D ? . O 1
   HETATM 2583 O . HOH A 2115 ? -11.49424 48.55377 24.59243 0.828 27.24974 O ? D ? . O 1
   HETATM 2584 O . HOH A 2117 ? 6.61325 57.27207 1.27018 0.828 23.70138 O ? D ? . O 1
   HETATM 2586 O . HOH A 2120 ? 8.63936 48.44979 1.38804 0.737 24.91846 O ? D ? . O 1
   HETATM 2587 O . HOH A 2121 ? 7.95746 52.15502 -2.46152 0.899 20.62873 O ? D ? . O 1
   HETATM 2588 O . HOH A 2123 ? 6.49056 48.51396 -0.54407 0.814 19.31365 O ? D ? . O 1
   HETATM 2589 O . HOH A 2124 ? 6.10108 49.40995 -4.39200 0.997 29.68496 O ? D ? . O 1
   HETATM 2590 O . HOH A 2125 ? -13.56039 53.49905 17.11691 0.793 23.53844 O ? D ? . O 1
   HETATM 2591 O . HOH A 2126 ? 0.41398 54.29373 2.55966 0.914 15.40365 O ? D ? . O 1
   HETATM 2592 O . HOH A 2129 ? -0.83497 48.30036 0.15290 0.860 15.28250 O ? D ? . O 1
   HETATM 2593 O . HOH A 2130 ? -5.78044 53.15457 -1.88197 0.792 25.32860 O ? D ? . O 1
   HETATM 2595 O . HOH A 2132 ? -7.82861 51.75161 7.78612 0.826 12.71020 O ? D ? . O 1
   HETATM 2596 O . HOH A 2133 ? -2.48782 55.19193 -1.12092 0.909 17.01694 O ? D ? . O 1
   HETATM 2597 O . HOH A 2134 ? -4.74480 56.22837 0.07057 0.647 18.83417 O ? D ? . O 1
   HETATM 2598 O . HOH A 2135 ? -5.83768 58.71361 3.68041 0.936 27.09835 O ? D ? . O 1
   HETATM 2599 O . HOH A 2136 ? -0.09335 62.08803 14.82098 0.439 20.96486 O ? D ? . O 1
   HETATM 2600 O . HOH A 2137 ? -6.44756 63.36090 5.50572 0.965 26.88250 O ? D ? . O 1
   HETATM 2604 O . HOH A 2144 ? -10.65417 51.15420 1.16078 0.946 22.63961 O ? D ? . O 1
   HETATM 2605 O . HOH A 2145 ? -9.93671 46.31535 0.30292 0.484 16.54364 O ? D ? . O 1
   HETATM 2606 O . HOH A 2146 ? 6.69308 53.09641 13.42713 0.812 23.90144 O ? D ? . O 1
   HETATM 2607 O . HOH A 2147 ? 5.99554 56.85309 15.43395 0.726 29.02245 O ? D ? . O 1
   HETATM 2608 O . HOH A 2148 ? 3.65316 60.18618 16.40777 0.940 21.23899 O ? D ? . O 1
   HETATM 2611 O . HOH A 2151 ? -12.92897 50.84212 5.65231 1.000 21.24908 O ? D ? . O 1
   HETATM 2612 O . HOH A 2152 ? -12.51893 46.22985 5.91712 0.889 17.18608 O ? D ? . O 1
   HETATM 2613 O . HOH A 2153 ? 7.64761 45.10330 17.16573 0.908 30.05248 O ? D ? . O 1
   HETATM 2615 O . HOH A 2155 ? 7.79598 52.12130 26.32880 0.962 23.67569 O ? D ? . O 1
   HETATM 2617 O . HOH A 2158 ? -4.46612 42.28134 3.08856 0.785 24.55454 O ? D ? . O 1
   HETATM 2618 O . HOH A 2160 ? -3.11426 49.49304 2.65666 0.814 12.48147 O ? D ? . O 1
   HETATM 2619 O . HOH A 2161 ? -2.38815 44.40121 5.78665 0.991 23.37107 O ? D ? . O 1
   HETATM 2620 O . HOH A 2162 ? -6.62680 42.87730 4.84069 0.951 19.37076 O ? D ? . O 1
   HETATM 2621 O . HOH A 2163 ? 4.44860 48.45702 28.64511 0.650 14.62521 O ? D ? . O 1
   HETATM 2622 O . HOH A 2168 ? -16.15750 47.98445 7.16168 0.968 34.07780 O ? D ? . O 1
   HETATM 2625 O . HOH A 2174 ? -10.60659 40.85451 9.27515 0.996 20.39006 O ? D ? . O 1
   HETATM 2628 O . HOH A 2178 ? -13.00809 42.00998 8.21462 0.898 33.07723 O ? D ? . O 1
   HETATM 2629 O . HOH A 2179 ? -13.27264 44.84827 8.11703 0.841 23.65470 O ? D ? . O 1
   HETATM 2631 O . HOH A 2182 ? -12.99370 46.99351 18.28262 0.722 20.40773 O ? D ? . O 1
   HETATM 2632 O . HOH A 2183 ? -9.12274 41.77714 21.60539 0.747 24.73020 O ? D ? . O 1
   HETATM 2633 O . HOH A 2184 ? -10.82862 38.53564 13.61921 0.713 26.11888 O ? D ? . O 1
   HETATM 2634 O . HOH A 2185 ? -11.48179 40.51881 18.31235 1.000 37.91061 O ? D ? . O 1
   HETATM 2635 O . HOH A 2186 ? -8.97810 36.74774 20.58523 0.944 16.83834 O ? D ? . O 1
   HETATM 2636 O . HOH A 2187 ? -6.19963 42.66067 21.62503 0.885 19.23111 O ? D ? . O 1
   HETATM 2637 O . HOH A 2188 ? -4.67056 35.32654 26.50289 0.915 18.31101 O ? D ? . O 1
   HETATM 2638 O . HOH A 2189 ? -5.03797 31.87120 23.97170 0.775 11.22638 O ? D ? . O 1
   HETATM 2639 O . HOH A 2190 ? -0.22958 36.01222 31.06133 0.850 19.46118 O ? D ? . O 1
   HETATM 2640 O . HOH A 2191 ? -3.49540 35.29300 31.16583 0.895 26.35680 O ? D ? . O 1
   HETATM 2641 O . HOH A 2192 ? -3.66578 30.61015 31.61162 0.809 18.03855 O ? D ? . O 1
   HETATM 2642 O . HOH A 2193 ? -1.03678 33.20058 34.49563 0.817 27.59915 O ? D ? . O 1
   HETATM 2643 O . HOH A 2194 ? 1.04805 34.68808 33.16094 0.865 19.00897 O ? D ? . O 1
   HETATM 2644 O . HOH A 2195 ? -0.55967 28.38383 29.86610 0.747 13.89897 O ? D ? . O 1
   HETATM 2645 O . HOH A 2196 ? 2.13585 24.13701 34.61549 0.923 29.84288 O ? D ? . O 1
   HETATM 2646 O . HOH A 2197 ? -0.54427 26.65938 33.71504 0.762 19.73321 O ? D ? . O 1
   HETATM 2647 O . HOH A 2200 ? 8.07832 24.70739 32.87760 0.747 15.27584 O ? D ? . O 1
   HETATM 2648 O . HOH A 2201 ? 5.49309 29.79443 36.81361 0.748 16.09527 O ? D ? . O 1
   HETATM 2649 O . HOH A 2202 ? 10.00399 31.23421 36.71192 0.693 13.99708 O ? D ? . O 1
   HETATM 2650 O . HOH A 2203 ? 8.92289 24.10157 28.68227 0.859 16.91317 O ? D ? . O 1
   HETATM 2651 O . HOH A 2204 ? 14.71981 27.24106 27.01708 0.770 19.26337 O ? D ? . O 1
   HETATM 2652 O . HOH A 2205 ? 13.25868 30.12753 28.92651 0.598 15.08246 O ? D ? . O 1
   HETATM 2653 O . HOH A 2206 ? 14.34566 28.32087 23.44394 0.799 20.15971 O ? D ? . O 1
   HETATM 2654 O . HOH A 2207 ? 16.64818 30.36811 26.04557 0.828 30.22263 O ? D ? . O 1
   HETATM 2655 O . HOH A 2208 ? 12.61370 33.15520 20.34461 0.878 20.32698 O ? D ? . O 1
   HETATM 2658 O . HOH A 2211 ? 10.13787 33.40089 38.41157 0.612 15.62575 O ? D ? . O 1
   HETATM 2659 O . HOH A 2212 ? 15.50780 40.47484 37.36963 0.674 30.20513 O ? D ? . O 1
   HETATM 2660 O . HOH A 2213 ? 16.06756 36.58559 37.72410 0.555 22.84004 O ? D ? . O 1
   HETATM 2661 O . HOH A 2214 ? 16.14838 36.74511 33.75662 0.797 33.23391 O ? D ? . O 1
   HETATM 2662 O . HOH A 2215 ? 2.36471 36.01546 35.09655 0.996 20.47010 O ? D ? . O 1
   HETATM 2663 O . HOH A 2216 ? 3.03494 33.54481 39.14438 0.754 23.46254 O ? D ? . O 1
   HETATM 2664 O . HOH A 2218 ? 11.92798 35.49714 38.51902 0.824 23.70720 O ? D ? . O 1
   HETATM 2666 O . HOH A 2223 ? 6.78995 40.38421 36.29882 0.594 20.40727 O ? D ? . O 1
   HETATM 2667 O . HOH A 2225 ? 0.45799 38.02176 34.73341 0.994 19.90126 O ? D ? . O 1
   HETATM 2668 O . HOH A 2228 ? 3.42272 47.54417 36.92134 0.817 19.79544 O ? D ? . O 1
   HETATM 2669 O . HOH A 2230 ? -5.43755 37.78048 37.16644 0.912 23.34891 O ? D ? . O 1
   HETATM 2670 O . HOH A 2232 ? 1.07194 50.24558 34.34217 0.723 18.87748 O ? D ? . O 1
   HETATM 2671 O . HOH A 2233 ? -2.02408 48.03759 31.91024 0.671 16.21043 O ? D ? . O 1
   HETATM 2672 O . HOH A 2234 ? -6.27119 44.70033 35.74643 0.669 37.41943 O ? D ? . O 1
   HETATM 2673 O . HOH A 2235 ? -0.41033 49.14039 38.34191 0.691 18.98462 O ? D ? . O 1
   HETATM 2674 O . HOH A 2236 ? -1.12922 38.34344 32.17618 0.860 20.02979 O ? D ? . O 1
   HETATM 2675 O . HOH A 2237 ? -5.77856 38.85796 29.50687 0.602 21.85982 O ? D ? . O 1
   HETATM 2676 O . HOH A 2238 ? -6.49583 46.77621 31.99573 0.728 20.25091 O ? D ? . O 1
   HETATM 2677 O . HOH A 2239 ? -8.04850 41.91644 28.06215 0.834 27.71402 O ? D ? . O 1
   HETATM 2678 O . HOH A 2240 ? -8.61728 45.57363 29.32938 0.917 36.83784 O ? D ? . O 1
   HETATM 2679 O . HOH A 2242 ? -8.43841 41.43159 24.83478 0.914 30.51514 O ? D ? . O 1
   HETATM 2680 O . HOH A 2244 ? -6.95885 45.29279 21.60015 0.575 12.31113 O ? D ? . O 1
   HETATM 2681 O . HOH A 2245 ? -6.19331 38.72632 26.50337 0.637 19.54977 O ? D ? . O 1
   HETATM 2683 O . HOH A 2247 ? -9.68759 48.12074 26.60116 0.751 22.33983 O ? D ? . O 1
   HETATM 2684 O . HOH A 2248 ? -6.26130 45.98938 27.65899 0.600 18.84010 O ? D ? . O 1
   HETATM 2685 O . HOH A 2249 ? -4.99498 52.19490 29.13840 0.914 16.47261 O ? D ? . O 1
   HETATM 2686 O . HOH A 2250 ? -3.91255 48.85020 30.05608 0.646 17.40768 O ? D ? . O 1
   HETATM 2688 O . HOH A 2253 ? -10.73839 50.60054 19.03002 0.834 17.70663 O ? D ? . O 1
   HETATM 2689 O . HOH A 2254 ? -1.61998 59.36956 20.12931 0.901 25.95319 O ? D ? . O 1
   HETATM 2690 O . HOH A 2255 ? -0.95012 53.94420 21.94800 0.769 18.96106 O ? D ? . O 1
   HETATM 2691 O . HOH A 2256 ? -6.65818 56.19152 17.17904 0.823 21.06925 O ? D ? . O 1
   HETATM 2692 O . HOH A 2257 ? -8.48191 46.61878 19.45221 0.650 14.68321 O ? D ? . O 1
   HETATM 2693 O . HOH A 2258 ? -9.67235 46.22958 14.96132 0.838 15.65157 O ? D ? . O 1
   HETATM 2694 O . HOH A 2259 ? -12.62673 54.96735 15.07785 0.829 19.72131 O ? D ? . O 1
   HETATM 2695 O . HOH A 2260 ? -11.54731 52.42628 7.44755 0.911 19.60242 O ? D ? . O 1
   HETATM 2696 O . HOH A 2261 ? -12.49540 50.98917 17.01501 0.853 20.73028 O ? D ? . O 1
   HETATM 2697 O . HOH A 2262 ? -15.03235 51.92625 9.49284 0.902 30.49994 O ? D ? . O 1
   HETATM 2698 O . HOH A 2263 ? -14.63930 55.12086 13.16441 0.889 30.35332 O ? D ? . O 1
   HETATM 2699 O . HOH A 2264 ? -12.32714 47.26713 15.66200 0.686 24.05364 O ? D ? . O 1
   HETATM 2700 O . HOH A 2267 ? -9.57775 47.60149 12.56185 0.813 14.35618 O ? D ? . O 1
   HETATM 2701 O . HOH A 2268 ? -10.64932 59.57464 8.43900 0.742 24.12573 O ? D ? . O 1
   HETATM 2702 O . HOH A 2269 ? -12.86415 54.77841 6.86696 0.731 26.14927 O ? D ? . O 1
   HETATM 2703 O . HOH A 2270 ? -9.61111 57.20351 4.71984 0.724 23.16726 O ? D ? . O 1
   HETATM 2704 O . HOH A 2273 ? -6.11169 59.60643 6.28855 0.944 23.11894 O ? D ? . O 1
   HETATM 2705 O . HOH A 2274 ? -1.97267 64.98564 6.78038 0.941 27.54082 O ? D ? . O 1
   HETATM 2706 O . HOH A 2275 ? -5.67671 62.81860 9.83127 0.830 24.59160 O ? D ? . O 1
   HETATM 2708 O . HOH A 2277 ? 1.07897 61.87187 10.37236 0.675 23.61251 O ? D ? . O 1
   HETATM 2709 O . HOH A 2278 ? 0.95676 60.76239 12.87037 1.000 20.08765 O ? D ? . O 1
   HETATM 2710 O . HOH A 2279 ? -3.52329 57.20417 16.87048 0.912 27.54986 O ? D ? . O 1
   HETATM 2711 O . HOH A 2281 ? 4.97020 54.89442 12.98002 0.585 25.44956 O ? D ? . O 1
   HETATM 2714 O . HOH A 2284 ? 4.09439 57.17390 17.37980 0.895 26.61625 O ? D ? . O 1
   HETATM 2715 O . HOH A 2285 ? 6.48302 50.56789 15.31662 0.813 25.71596 O ? D ? . O 1
   HETATM 2716 O . HOH A 2286 ? 8.03062 52.14974 17.38971 0.925 30.16606 O ? D ? . O 1
   HETATM 2718 O . HOH A 2288 ? 4.94051 55.03162 23.05430 0.964 23.36521 O ? D ? . O 1
   HETATM 2719 O . HOH A 2289 ? 5.86813 55.88825 19.28775 0.835 33.13081 O ? D ? . O 1
   HETATM 2721 O . HOH A 2291 ? 9.76145 50.74575 19.11937 0.696 31.30204 O ? D ? . O 1
   HETATM 2722 O . HOH A 2292 ? 9.59170 50.80816 24.38066 0.864 21.21423 O ? D ? . O 1
   HETATM 2723 O . HOH A 2293 ? 10.67538 52.20432 22.21363 0.628 24.90959 O ? D ? . O 1
   HETATM 2724 O . HOH A 2294 ? 4.19038 46.12554 27.06908 0.730 14.60318 O ? D ? . O 1
   HETATM 2725 O . HOH A 2295 ? 3.29766 49.94012 26.73076 0.707 14.71714 O ? D ? . O 1
   HETATM 2726 O . HOH A 2296 ? 5.23726 51.33480 25.45669 0.794 16.95148 O ? D ? . O 1
   HETATM 2728 O . HOH A 2300 ? 11.73714 44.18950 20.71950 1.000 27.42922 O ? D ? . O 1
   HETATM 2729 O . HOH A 2303 ? 15.02531 40.96853 28.44955 0.795 21.62141 O ? D ? . O 1
   HETATM 2730 O . HOH A 2304 ? 11.05437 49.68633 28.78353 0.930 23.27488 O ? D ? . O 1
   HETATM 2731 O . HOH A 2305 ? 11.64210 49.59611 25.98084 0.774 24.81438 O ? D ? . O 1
   HETATM 2732 O . HOH A 2307 ? 12.68370 42.02526 34.00775 0.724 26.18353 O ? D ? . O 1
   HETATM 2734 O . HOH A 2312 ? 10.18003 33.09397 21.39166 0.870 14.24158 O ? D ? . O 1
   HETATM 2735 O . HOH A 2313 ? 8.99028 34.03460 14.97172 0.895 22.70441 O ? D ? . O 1
   HETATM 2737 O . HOH A 2315 ? 11.55008 30.61500 18.59533 0.984 30.04190 O ? D ? . O 1
   HETATM 5013 O . HOH S 2316 ? 3.40360 52.77683 23.93319 0.984 22.18273 O ? E ? . O 1
   HETATM 5014 O . HOH S 2317 ? 10.04932 47.39852 30.14567 0.820 24.40122 O ? E ? . O 1
   HETATM 5015 O . HOH S 2318 ? 5.02758 26.96960 17.58177 0.535 20.23663 O ? E ? . O 1
   HETATM 5016 O . HOH S 2319 ? -7.83602 54.24669 1.42353 0.575 20.03738 O ? E ? . O 1
   HETATM 5017 O . HOH S 2320 ? -5.21177 40.79172 6.67469 0.887 26.15859 O ? E ? . O 1
   HETATM 5019 O . HOH S 2322 ? 2.20148 45.99433 38.83947 0.809 26.32177 O ? E ? . O 1
   HETATM 5021 O . HOH S 2324 ? -7.78163 41.83941 2.91749 0.894 33.01898 O ? E ? . O 1
   HETATM 5022 O . HOH S 2325 ? 13.81060 44.35408 22.74779 1.000 34.38298 O ? E ? . O 1
   HETATM 5023 O . HOH S 2326 ? -13.33829 46.88418 12.91861 0.838 31.13199 O ? E ? . O 1
   HETATM 5024 O . HOH S 2327 ? -4.25383 58.35511 1.64702 0.722 23.78783 O ? E ? . O 1
   HETATM 5025 O . HOH S 2328 ? -0.63748 63.23323 5.65483 0.768 31.00285 O ? E ? . O 1
   HETATM 5026 O . HOH S 2329 ? -12.05543 47.54920 22.34043 0.640 30.99699 O ? E ? . O 1
   HETATM 5030 O . HOH S 2333 ? 6.97123 57.90086 5.51798 0.718 27.70016 O ? E ? . O 1
   HETATM 5031 O . HOH S 2334 ? -9.13114 57.40854 16.83656 0.903 29.83258 O ? E ? . O 1
   HETATM 5032 O . HOH S 2335 ? -8.64621 36.48685 25.17496 0.913 38.49306 O ? E ? . O 1
   HETATM 5033 O . HOH S 2336 ? 8.07755 25.57091 20.56475 0.396 20.30196 O ? E ? . O 1
   HETATM 5034 O . HOH S 2337 ? 8.06564 59.61318 2.07032 0.993 39.33210 O ? E ? . O 1
   HETATM 5035 O . HOH S 2338 ? 9.02804 40.58025 38.22681 1.000 39.97294 O ? E ? . O 1
   HETATM 5037 O . HOH S 2340 ? 8.18815 45.38554 9.85686 0.591 24.87802 O ? E ? . O 1
   HETATM 5038 O . HOH S 2341 ? -15.31895 48.34931 2.91283 0.521 23.77921 O ? E ? . O 1
   HETATM 5039 O . HOH S 2342 ? -10.09664 53.44983 0.28214 0.838 33.33216 O ? E ? . O 1
   HETATM 5040 O . HOH S 2343 ? 8.96672 29.76278 16.31626 0.993 37.03457 O ? E ? . O 1
   HETATM 5041 O . HOH S 2344 ? -1.95934 44.03131 36.66464 0.639 21.97442 O ? E ? . O 1
   HETATM 5044 O . HOH S 2347 ? 16.61737 44.13889 28.23972 0.541 31.68627 O ? E ? . O 1
   HETATM 5046 O . HOH S 2349 ? -0.60625 64.70908 14.67951 0.690 26.42590 O ? E ? . O 1
   HETATM 5047 O . HOH S 2350 ? -5.39866 58.39145 18.14591 0.662 25.46950 O ? E ? . O 1
   HETATM 5048 O . HOH S 2351 ? 9.04489 48.99518 5.20529 0.650 30.76601 O ? E ? . O 1
   HETATM 5050 O . HOH S 2353 ? 0.95054 22.69634 19.43871 0.473 22.45777 O ? E ? . O 1
   HETATM 5053 O . HOH S 2356 ? 9.09438 43.44387 18.39742 0.376 26.21540 O ? E ? . O 1
   HETATM 5055 O . HOH S 2358 ? -3.29579 33.08039 32.96761 0.606 27.91976 O ? E ? . O 1
   HETATM 5056 O . HOH S 2359 ? 1.85281 17.71910 32.14155 0.487 27.29534 O ? E ? . O 1
   HETATM 5059 O . HOH S 2362 ? 10.88367 42.47495 35.68014 0.794 33.60811 O ? E ? . O 1
   HETATM 5061 O . HOH S 2364 ? 16.52637 34.49628 21.91790 0.483 22.88939 O ? E ? . O 1
   HETATM 5062 O . HOH S 2365 ? -14.96272 50.62063 1.92018 0.610 33.22724 O ? E ? . O 1
   HETATM 5064 O . HOH S 2367 ? -0.77933 17.52619 23.27994 0.939 33.80081 O ? E ? . O 1
   HETATM 5065 O . HOH S 2368 ? -12.75942 50.06149 -0.19322 0.388 21.84230 O ? E ? . O 1
   HETATM 5066 O . HOH S 2369 ? -8.99253 44.37737 21.48105 0.307 22.23679 O ? E ? . O 1
   HETATM 5067 O . HOH S 2370 ? -10.38880 48.31671 -2.20472 0.401 21.79349 O ? E ? . O 1
   HETATM 5068 O . HOH S 2371 ? -3.15489 59.76077 17.64529 0.701 31.31902 O ? E ? . O 1
   HETATM 5071 O . HOH S 2374 ? -8.70822 38.78142 26.35069 0.499 27.08743 O ? E ? . O 1
   HETATM 5075 O . HOH S 2378 ? 7.76997 54.37065 18.60231 0.610 33.69834 O ? E ? . O 1
   HETATM 5076 O . HOH S 2379 ? 8.80750 42.22082 36.53939 0.482 29.49713 O ? E ? . O 1
   HETATM 5077 O . HOH S 2380 ? -15.18501 52.00479 6.93203 0.879 43.34950 O ? E ? . O 1
   HETATM 5078 O . HOH S 2381 ? -13.31064 40.10424 14.26629 1.000 46.73214 O ? E ? . O 1
   HETATM 5081 O . HOH S 2384 ? 7.91384 47.57768 11.66085 0.327 24.49692 O ? E ? . O 1
   HETATM 5138 O . HOH S 2395 ? -5.18621 29.31662 25.13457 1.000 15.23994 O ? F ? . O 1
   HETATM 5139 O . HOH S 2396 ? -4.87473 36.83508 5.14398 0.953 19.80368 O ? F ? . O 1
   HETATM 5140 O . HOH S 2397 ? -2.97843 41.52019 5.11935 1.000 23.94486 O ? F ? . O 1
   HETATM 5147 O . HOH S 2404 ? 12.68223 46.57821 31.15635 0.828 35.76571 O ? F ? . O 1
   HETATM 5148 O . HOH S 2405 ? -3.03551 42.21371 38.70411 0.985 40.85881 O ? F ? . O 1
   HETATM 5151 O . HOH S 2408 ? 9.98081 40.78899 17.35796 0.897 35.66262 O ? F ? . O 1
   HETATM 5154 O . HOH S 2411 ? 1.53019 20.94956 21.02308 0.715 30.79838 O ? F ? . O 1
   HETATM 5159 O . HOH S 2416 ? 10.02889 47.37512 32.51070 0.678 33.96131 O ? F ? . O 1
   HETATM 5169 O . HOH S 2426 ? -1.59382 52.51320 19.70822 0.306 19.09759 O ? F ? . O 1
   HETATM 5170 O . HOH S 2427 ? 13.17613 45.06763 33.40169 0.749 37.27510 O ? F ? . O 1
   HETATM 5177 O . HOH S 2434 ? 8.60094 47.41164 16.22683 0.578 30.61411 O ? F ? . O 1
   HETATM 5187 O . HOH S 2444 ? -12.40311 47.42724 -0.86698 0.354 21.87153 O ? F ? . O 1
   HETATM 5193 O . HOH S 2450 ? -14.35515 40.51749 12.04866 1.000 45.69910 O ? F ? . O 1
   HETATM 5194 O . HOH S 2451 ? 2.74275 48.35781 40.79551 0.410 26.95587 O ? F ? . O 1
   HETATM 5200 O . HOH S 2457 ? -7.37696 46.04866 25.58388 0.304 24.01284 O ? F ? . O 1
   HETATM 5215 O . HOH S 2458 ? -5.59319 42.49270 29.31272 0.506 16.89187 O ? G ? . O 1
   HETATM 5216 O . HOH S 2459 ? -2.81962 46.95716 3.40082 0.370 19.84688 O ? G ? . O 1
   HETATM 5217 O . HOH S 2460 ? -7.23145 40.85526 6.60333 0.509 20.65977 O ? G ? . O 1
   HETATM 5218 O . HOH S 2461 ? 6.75729 21.18824 21.16819 0.769 29.99976 O ? G ? . O 1
   HETATM 5219 O . HOH S 2462 ? -7.65831 63.13263 7.70431 0.490 20.31522 O ? G ? . O 1
   HETATM 5221 O . HOH S 2464 ? -2.35087 34.58293 36.24604 0.487 20.95129 O ? G ? . O 1
   HETATM 5222 O . HOH S 2465 ? 4.67728 27.08401 15.35706 0.508 29.54487 O ? G ? . O 1
   HETATM 5223 O . HOH S 2466 ? 10.49410 39.60646 39.82983 0.514 28.33028 O ? G ? . O 1
   HETATM 5224 O . HOH S 2467 ? 5.24743 57.91439 7.24583 0.606 30.03373 O ? G ? . O 1
   HETATM 5225 O . HOH S 2468 ? 9.14266 46.61171 18.42935 0.471 27.92459 O ? G ? . O 1
   HETATM 5226 O . HOH S 2469 ? -6.28148 57.84408 0.36920 0.264 21.45840 O ? G ? . O 1
   HETATM 5228 O . HOH S 2471 ? 1.98622 20.18450 32.78464 0.733 36.72636 O ? G ? . O 1
   HETATM 5229 O . HOH S 2472 ? -1.98963 35.06240 17.97626 0.255 13.37943 O ? G ? . O 1
   HETATM 5233 O . HOH S 2476 ? 7.98306 42.86815 9.26469 0.686 32.02424 O ? G ? . O 1
   HETATM 5234 O . HOH S 2477 ? 1.49873 20.02352 18.90123 0.498 28.97329 O ? G ? . O 1
   HETATM 5235 O . HOH S 2478 ? 9.68481 54.02141 19.83140 0.357 25.59771 O ? G ? . O 1
   HETATM 5238 O . HOH S 2481 ? -0.71256 57.71433 18.57914 0.231 23.71448 O ? G ? . O 1
   HETATM 5246 O . HOH S 2489 ? 17.22714 30.93858 23.95241 0.839 47.56214 O ? G ? . O 1
   HETATM 5250 O . HOH S 2493 ? 18.40465 34.86019 30.21398 0.470 29.07921 O ? G ? . O 1
   HETATM 5254 O . HOH S 2497 ? -11.53900 57.29548 16.46291 0.646 35.00772 O ? G ? . O 1
   HETATM 5256 O . HOH S 2499 ? -4.39613 63.56388 7.32431 0.266 22.07793 O ? G ? . O 1
   HETATM 5257 O . HOH S 2500 ? 6.01170 17.73020 24.15903 0.752 41.01010 O ? G ? . O 1
   HETATM 5263 O . HOH S 2506 ? -11.98146 55.98114 4.60549 0.419 27.63707 O ? G ? . O 1
   HETATM 5266 O . HOH S 2509 ? 9.05213 46.53146 5.66187 0.363 25.22820 O ? G ? . O 1
   HETATM 5271 O . HOH S 2514 ? 5.53355 48.25951 38.40867 0.563 27.70228 O ? G ? . O 1
   HETATM 5272 O . HOH S 2515 ? -1.54013 34.77278 33.14058 0.229 23.84376 O ? G ? . O 1
   HETATM 5280 O . HOH S 2523 ? -15.45510 50.26209 14.72066 0.519 30.41066 O ? G ? . O 1
   HETATM 5283 O . HOH S 2526 ? -3.11030 65.26856 16.08546 0.438 27.37095 O ? G ? . O 1
   HETATM 5317 O . HOH S 2528 ? 10.79587 38.90975 19.66863 0.628 30.66526 O ? H ? . O 1
   HETATM 5319 O . HOH S 2530 ? 11.96154 37.89060 18.00314 0.776 40.93932 O ? H ? . O 1
   HETATM 5320 O . HOH S 2531 ? -4.56930 64.63872 11.50179 0.538 25.77905 O ? H ? . O 1
   HETATM 5323 O . HOH S 2534 ? 3.78732 28.98534 37.71738 0.250 25.43324 O ? H ? . O 1
   HETATM 5330 O . HOH S 2541 ? -2.76643 64.17251 10.13077 0.347 25.19636 O ? H ? . O 1
   HETATM 5331 O . HOH S 2542 ? 17.64992 37.05443 29.92877 0.695 38.98934 O ? H ? . O 1
   HETATM 5334 O . HOH S 2545 ? 9.39383 54.84040 21.78539 0.529 32.11346 O ? H ? . O 1
   HETATM 5335 O . HOH S 2546 ? 9.68791 40.73274 42.21948 0.462 27.65450 O ? H ? . O 1
   HETATM 5340 O . HOH S 2551 ? 7.14897 40.50633 42.65351 0.588 34.34313 O ? H ? . O 1
   HETATM 5341 O . HOH S 2552 ? -3.07580 34.64850 38.27690 0.233 25.18399 O ? H ? . O 1
   HETATM 5342 O . HOH S 2553 ? 9.79447 38.30940 41.57349 0.234 25.58258 O ? H ? . O 1
   HETATM 5344 O . HOH S 2555 ? -9.99865 60.70083 12.75031 0.399 21.51242 O ? H ? . O 1
   HETATM 5348 O . HOH S 2559 ? -14.97820 55.37912 8.96084 0.514 33.05707 O ? H ? . O 1
   HETATM 5351 O . HOH S 2562 ? -2.58382 45.41301 40.05700 0.304 20.18644 O ? H ? . O 1
   HETATM 5352 O . HOH S 2563 ? 7.46308 41.32579 11.31878 0.284 21.58510 O ? H ? . O 1
   HETATM 5354 O . HOH S 2565 ? 8.70353 38.17037 9.50303 0.353 24.59651 O ? H ? . O 1
   HETATM 5356 O . HOH S 2567 ? 12.65610 51.69687 -0.97764 0.363 32.74977 O ? H ? . O 1
   HETATM 5359 O . HOH S 2570 ? 7.10332 56.20820 8.98934 0.483 32.11933 O ? H ? . O 1
   HETATM 5360 O . HOH S 2571 ? -10.15835 38.70807 24.62032 0.349 25.61154 O ? H ? . O 1
   HETATM 5363 O . HOH S 2574 ? 8.42013 56.99988 7.34737 0.478 32.11916 O ? H ? . O 1
   HETATM 5366 O . HOH S 2577 ? 8.46806 30.61465 37.76131 0.234 37.28681 O ? H ? . O 1
   HETATM 5373 O . HOH S 2584 ? -13.97243 43.11455 16.71783 0.267 26.24780 O ? H ? . O 1
   HETATM 5393 O . HOH S 2586 ? 12.82321 40.39428 20.57873 0.898 42.71864 O ? I ? . O 1
   HETATM 5394 O . HOH S 2587 ? 8.39469 39.65374 40.54763 0.428 30.77548 O ? I ? . O 1
   HETATM 5395 O . HOH S 2588 ? 11.65607 34.48910 15.92235 0.520 28.72462 O ? I ? . O 1
   HETATM 5401 O . HOH S 2594 ? -14.99199 41.21728 9.70891 0.704 50.14999 O ? I ? . O 1
   HETATM 5403 O . HOH S 2596 ? -0.91890 45.32711 41.44364 0.457 32.23097 O ? I ? . O 1
   HETATM 5408 O . HOH S 2601 ? 14.24465 41.65499 22.74539 0.390 20.36977 O ? I ? . O 1
   HETATM 5410 O . HOH S 2603 ? -7.90561 43.81505 26.54438 0.413 30.53284 O ? I ? . O 1
   HETATM 5414 O . HOH S 2607 ? -1.99295 37.67580 3.37394 0.285 38.91876 O ? I ? . O 1
   HETATM 5418 O . HOH S 2611 ? -15.21989 50.50940 20.67023 0.364 35.87957 O ? I ? . O 1
   HETATM 5428 O . HOH S 2621 ? -1.80530 65.27516 11.69848 0.288 25.41696 O ? I ? . O 1
   HETATM 5432 O . HOH S 2625 ? -15.16501 42.89126 11.21551 0.377 30.94426 O ? I ? . O 1
   HETATM 5436 O . HOH S 2629 ? 10.66169 48.00415 17.65760 0.509 36.80744 O ? I ? . O 1
   HETATM 5438 O . HOH S 2631 ? -8.37932 40.07462 1.63225 0.292 24.05473 O ? I ? . 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_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 .

