data_2xlv_qFit
_cell.length_a                    53.738
_cell.length_b                    53.738
_cell.length_c                    180.716
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      451949.829
_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     19.73
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              28.55
_refine.ls_d_res_high             1.24
_refine.pdbx_ls_sigma_F           1.28
_refine.ls_percent_reflns_obs     91.24
_refine.ls_number_reflns_obs      40938
_refine.ls_number_reflns_R_work   38940
_refine.ls_number_reflns_R_free   1998
_refine.ls_R_factor_obs           0.2213
_refine.ls_R_factor_R_work        0.2196
_refine.ls_R_factor_R_free        0.2549
_refine.ls_percent_reflns_R_free  4.88
_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             0.1226
_refine.pdbx_overall_phase_error  35.5860
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                27.01
_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 1410 0.0194 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1950 1.3366 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 193 0.0770 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 264 0.0078 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 523 14.6074 ? ?

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' 2.99 28.55 3172 0.1872 94.29 0.2180 163
   'X-RAY DIFFRACTION' 2.37 2.99 3013 0.2112 95.16 0.2461 154
   'X-RAY DIFFRACTION' 2.07 2.37 2885 0.2249 93.76 0.2585 148
   'X-RAY DIFFRACTION' 1.88 2.07 2987 0.2544 97.09 0.2926 154
   'X-RAY DIFFRACTION' 1.75 1.88 2929 0.2528 96.07 0.3130 150
   'X-RAY DIFFRACTION' 1.65 1.75 2898 0.2470 95.64 0.2711 148
   'X-RAY DIFFRACTION' 1.56 1.65 2863 0.2577 95.10 0.2899 147
   'X-RAY DIFFRACTION' 1.49 1.56 2837 0.2618 95.24 0.3352 146
   'X-RAY DIFFRACTION' 1.44 1.49 2825 0.2967 93.37 0.3286 145
   'X-RAY DIFFRACTION' 1.39 1.44 2811 0.3122 94.08 0.3244 144
   'X-RAY DIFFRACTION' 1.34 1.39 2809 0.3085 94.86 0.3653 145
   'X-RAY DIFFRACTION' 1.31 1.34 2722 0.3286 91.03 0.3724 140
   'X-RAY DIFFRACTION' 1.27 1.31 2318 0.3738 77.65 0.4134 118
   'X-RAY DIFFRACTION' 1.24 1.27 1871 0.3202 62.96 0.3768 96

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 125 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 116 SG CYS A 115 SG . HEC A 1127 CAB HEC B . CAB . 'Bond created based on atom type and distance.'
   C00004 covale CYS A 119 SG CYS A 118 SG . HEC A 1127 CAC HEC B . CAC . 'Bond created based on atom type and distance.'
   C00005 covale HEC A 1127 FE HEC B . FE . NO A 1128 N NO C . N . 'Bond created based on atom type and distance.'

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

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   HEC
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   NO
   PCA
   PHE
   PRO
   SER
   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 ? -3.43881 22.72065 27.34280 1.000 22.97443 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -2.08698 22.28842 26.98006 1.000 22.34509 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -1.74130 21.05941 27.80591 1.000 23.48266 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -1.75191 21.10918 29.02079 1.000 25.75344 O ? A ? 1 O 1
   ATOM 5 HA . PHE A 2 ? -2.02009 22.04606 26.04321 1.000 26.81491 H ? A ? 1 HA 1
   ATOM 6 CB A PHE A 2 ? -1.08740 23.41381 27.21826 0.238 25.33094 C ? A ? 1 CB 1
   ATOM 7 CG A PHE A 2 ? -1.47764 24.69627 26.55414 0.238 20.82820 C ? A ? 1 CG 1
   ATOM 8 CD1 A PHE A 2 ? -1.64491 24.75392 25.18260 0.238 23.52802 C ? A ? 1 CD1 1
   ATOM 9 CD2 A PHE A 2 ? -1.68230 25.84225 27.30205 0.238 20.71620 C ? A ? 1 CD2 1
   ATOM 10 CE1 A PHE A 2 ? -2.00496 25.94079 24.56672 0.238 20.85433 C ? A ? 1 CE1 1
   ATOM 11 CE2 A PHE A 2 ? -2.04690 27.02890 26.69612 0.238 23.72061 C ? A ? 1 CE2 1
   ATOM 12 CZ A PHE A 2 ? -2.20677 27.07891 25.32715 0.238 19.97665 C ? A ? 1 CZ 1
   ATOM 13 HB2 A PHE A 2 ? -1.02147 23.57912 28.17179 0.238 30.39794 H ? A ? 1 HB2 1
   ATOM 14 HB3 A PHE A 2 ? -0.22350 23.14646 26.86739 0.238 30.39794 H ? A ? 1 HB3 1
   ATOM 15 HD1 A PHE A 2 ? -1.51452 23.98924 24.66960 0.238 28.23443 H ? A ? 1 HD1 1
   ATOM 16 HD2 A PHE A 2 ? -1.57291 25.81321 28.22513 0.238 24.86025 H ? A ? 1 HD2 1
   ATOM 17 HE1 A PHE A 2 ? -2.11096 25.97282 23.64334 0.238 25.02600 H ? A ? 1 HE1 1
   ATOM 18 HE2 A PHE A 2 ? -2.18417 27.79190 27.20983 0.238 28.46554 H ? A ? 1 HE2 1
   ATOM 19 HZ A PHE A 2 ? -2.44994 27.87669 24.91566 0.238 23.97279 H ? A ? 1 HZ 1
   ATOM 20 CB B PHE A 2 ? -1.09512 23.43717 27.17146 0.762 25.35751 C ? A ? 1 CB 1
   ATOM 21 CG B PHE A 2 ? -1.47468 24.66125 26.39619 0.762 20.42551 C ? A ? 1 CG 1
   ATOM 22 CD1 B PHE A 2 ? -1.65649 24.55811 25.03988 0.762 22.37168 C ? A ? 1 CD1 1
   ATOM 23 CD2 B PHE A 2 ? -1.70443 25.87822 27.03019 0.762 22.18717 C ? A ? 1 CD2 1
   ATOM 24 CE1 B PHE A 2 ? -2.04002 25.66584 24.29395 0.762 23.82370 C ? A ? 1 CE1 1
   ATOM 25 CE2 B PHE A 2 ? -2.10007 26.98212 26.28461 0.762 23.32820 C ? A ? 1 CE2 1
   ATOM 26 CZ B PHE A 2 ? -2.26753 26.87568 24.92272 0.762 22.41360 C ? A ? 1 CZ 1
   ATOM 27 HB2 B PHE A 2 ? -1.06333 23.67424 28.11150 0.762 30.42982 H ? A ? 1 HB2 1
   ATOM 28 HB3 B PHE A 2 ? -0.21812 23.15105 26.87162 0.762 30.42982 H ? A ? 1 HB3 1
   ATOM 29 HD1 B PHE A 2 ? -1.52203 23.74084 24.61694 0.762 26.84682 H ? A ? 1 HD1 1
   ATOM 30 HD2 B PHE A 2 ? -1.59352 25.95269 27.95055 0.762 26.62541 H ? A ? 1 HD2 1
   ATOM 31 HE1 B PHE A 2 ? -2.14355 25.59339 23.37257 0.762 28.58925 H ? A ? 1 HE1 1
   ATOM 32 HE2 B PHE A 2 ? -2.25232 27.79621 26.70766 0.762 27.99465 H ? A ? 1 HE2 1
   ATOM 33 HZ B PHE A 2 ? -2.53316 27.61606 24.42656 0.762 26.89713 H ? A ? 1 HZ 1
   ATOM 34 N . ALA A 3 ? -1.51463 19.93456 27.12248 1.000 27.57890 N ? A ? 2 N 1
   ATOM 35 CA . ALA A 3 ? -1.20425 18.69192 27.82516 1.000 26.85606 C ? A ? 2 CA 1
   ATOM 36 C . ALA A 3 ? 0.09561 18.79250 28.62104 1.000 32.22003 C ? A ? 2 C 1
   ATOM 37 O . ALA A 3 ? 0.19561 18.24157 29.72581 1.000 31.52975 O ? A ? 2 O 1
   ATOM 38 CB . ALA A 3 ? -1.14553 17.54987 26.82291 1.000 27.54945 C ? A ? 2 CB 1
   ATOM 39 H . ALA A 3 ? -1.53443 19.86627 26.26542 1.000 33.09549 H ? A ? 2 H 1
   ATOM 40 HA . ALA A 3 ? -1.91045 18.50577 28.46354 1.000 32.22807 H ? A ? 2 HA 1
   ATOM 41 HB1 . ALA A 3 ? -0.98074 16.72061 27.29837 1.000 33.06015 H ? A ? 2 HB1 1
   ATOM 42 HB2 . ALA A 3 ? -1.99223 17.49876 26.35240 1.000 33.06015 H ? A ? 2 HB2 1
   ATOM 43 HB3 . ALA A 3 ? -0.42702 17.71870 26.19351 1.000 33.06015 H ? A ? 2 HB3 1
   ATOM 44 N . LYS A 4 ? 1.10281 19.47728 28.08183 1.000 28.65570 N ? A ? 3 N 1
   ATOM 45 CA . LYS A 4 ? 2.39758 19.65715 28.73194 1.000 30.73772 C ? A ? 3 CA 1
   ATOM 46 C . LYS A 4 ? 2.83943 21.09711 28.54419 1.000 30.47027 C ? A ? 3 C 1
   ATOM 47 O . LYS A 4 ? 2.36278 21.77635 27.62204 1.000 25.20749 O ? A ? 3 O 1
   ATOM 48 H . LYS A 4 ? 1.05739 19.85995 27.31300 1.000 34.38765 H ? A ? 3 H 1
   ATOM 49 HA . LYS A 4 ? 2.32185 19.47112 29.68091 1.000 36.88607 H ? A ? 3 HA 1
   ATOM 50 CB A LYS A 4 ? 3.46012 18.72310 28.12842 0.567 30.33115 C ? A ? 3 CB 1
   ATOM 51 CG A LYS A 4 ? 3.16087 17.22580 28.26278 0.567 28.54409 C ? A ? 3 CG 1
   ATOM 52 CD A LYS A 4 ? 4.19739 16.36608 27.51592 0.567 38.79225 C ? A ? 3 CD 1
   ATOM 53 CE A LYS A 4 ? 3.84271 14.87457 27.52566 0.567 38.02106 C ? A ? 3 CE 1
   ATOM 54 NZ A LYS A 4 ? 4.81402 14.05826 26.71435 0.567 44.93084 N ? A ? 3 NZ 1
   ATOM 55 HB2 A LYS A 4 ? 3.53917 18.91971 27.18185 0.567 36.39819 H ? A ? 3 HB2 1
   ATOM 56 HB3 A LYS A 4 ? 4.30512 18.89155 28.57395 0.567 36.39819 H ? A ? 3 HB3 1
   ATOM 57 HG2 A LYS A 4 ? 3.18028 16.97833 29.20048 0.567 34.25371 H ? A ? 3 HG2 1
   ATOM 58 HG3 A LYS A 4 ? 2.28561 17.03941 27.88852 0.567 34.25371 H ? A ? 3 HG3 1
   ATOM 59 HD2 A LYS A 4 ? 4.24433 16.65744 26.59190 0.567 46.55150 H ? A ? 3 HD2 1
   ATOM 60 HD3 A LYS A 4 ? 5.06265 16.47167 27.94144 0.567 46.55150 H ? A ? 3 HD3 1
   ATOM 61 HE2 A LYS A 4 ? 3.86137 14.54800 28.43884 0.567 45.62608 H ? A ? 3 HE2 1
   ATOM 62 HE3 A LYS A 4 ? 2.95716 14.75459 27.14845 0.567 45.62608 H ? A ? 3 HE3 1
   ATOM 63 HZ1 A LYS A 4 ? 4.59353 13.19683 26.75207 0.567 53.91781 H ? A ? 3 HZ1 1
   ATOM 64 HZ2 A LYS A 4 ? 4.79915 14.32328 25.86485 0.567 53.91781 H ? A ? 3 HZ2 1
   ATOM 65 HZ3 A LYS A 4 ? 5.63836 14.15969 27.03416 0.567 53.91781 H ? A ? 3 HZ3 1
   ATOM 66 CB B LYS A 4 ? 3.47610 18.70443 28.17756 0.433 30.76340 C ? A ? 3 CB 1
   ATOM 67 CG B LYS A 4 ? 3.64784 18.69177 26.65659 0.433 35.18983 C ? A ? 3 CG 1
   ATOM 68 CD B LYS A 4 ? 4.39492 17.43146 26.17194 0.433 38.98101 C ? A ? 3 CD 1
   ATOM 69 CE B LYS A 4 ? 5.89789 17.66156 25.98234 0.433 32.32760 C ? A ? 3 CE 1
   ATOM 70 NZ B LYS A 4 ? 6.57775 16.48423 25.34680 0.433 38.54691 N ? A ? 3 NZ 1
   ATOM 71 HB2 B LYS A 4 ? 4.33040 18.95967 28.55957 0.433 36.91689 H ? A ? 3 HB2 1
   ATOM 72 HB3 B LYS A 4 ? 3.24887 17.80077 28.44710 0.433 36.91689 H ? A ? 3 HB3 1
   ATOM 73 HG2 B LYS A 4 ? 2.77389 18.70661 26.23601 0.433 42.22860 H ? A ? 3 HG2 1
   ATOM 74 HG3 B LYS A 4 ? 4.15946 19.47022 26.38610 0.433 42.22860 H ? A ? 3 HG3 1
   ATOM 75 HD2 B LYS A 4 ? 4.28147 16.72575 26.82769 0.433 46.77802 H ? A ? 3 HD2 1
   ATOM 76 HD3 B LYS A 4 ? 4.02554 17.15423 25.31894 0.433 46.77802 H ? A ? 3 HD3 1
   ATOM 77 HE2 B LYS A 4 ? 6.03194 18.43284 25.40958 0.433 38.79392 H ? A ? 3 HE2 1
   ATOM 78 HE3 B LYS A 4 ? 6.30784 17.81578 26.84782 0.433 38.79392 H ? A ? 3 HE3 1
   ATOM 79 HZ1 B LYS A 4 ? 7.44817 16.64704 25.25751 0.433 46.25709 H ? A ? 3 HZ1 1
   ATOM 80 HZ2 B LYS A 4 ? 6.46977 15.76043 25.85331 0.433 46.25709 H ? A ? 3 HZ2 1
   ATOM 81 HZ3 B LYS A 4 ? 6.22902 16.32881 24.54285 0.433 46.25709 H ? A ? 3 HZ3 1
   ATOM 82 N . PRO A 5 ? 3.73703 21.60349 29.41272 1.000 28.15771 N ? A ? 4 N 1
   ATOM 83 CA . PRO A 5 ? 4.25043 22.97471 29.26218 1.000 27.26323 C ? A ? 4 CA 1
   ATOM 84 C . PRO A 5 ? 4.70564 23.26757 27.84459 1.000 27.02799 C ? A ? 4 C 1
   ATOM 85 O . PRO A 5 ? 4.49998 24.36767 27.31809 1.000 27.23588 O ? A ? 4 O 1
   ATOM 86 CB . PRO A 5 ? 5.43252 23.03250 30.24607 1.000 36.82005 C ? A ? 4 CB 1
   ATOM 87 CG . PRO A 5 ? 5.13127 21.96275 31.27093 1.000 37.22799 C ? A ? 4 CG 1
   ATOM 88 CD . PRO A 5 ? 4.39658 20.87391 30.51650 1.000 35.79873 C ? A ? 4 CD 1
   ATOM 89 HA . PRO A 5 ? 3.57415 23.61544 29.53237 1.000 32.71669 H ? A ? 4 HA 1
   ATOM 90 HB2 . PRO A 5 ? 6.26166 22.84394 29.77930 1.000 44.18487 H ? A ? 4 HB2 1
   ATOM 91 HB3 . PRO A 5 ? 5.47663 23.90867 30.65992 1.000 44.18487 H ? A ? 4 HB3 1
   ATOM 92 HG2 . PRO A 5 ? 5.95950 21.62404 31.64539 1.000 44.67439 H ? A ? 4 HG2 1
   ATOM 93 HG3 . PRO A 5 ? 4.57451 22.33004 31.97521 1.000 44.67439 H ? A ? 4 HG3 1
   ATOM 94 HD2 . PRO A 5 ? 5.01850 20.21481 30.17054 1.000 42.95928 H ? A ? 4 HD2 1
   ATOM 95 HD3 . PRO A 5 ? 3.73970 20.44349 31.08584 1.000 42.95928 H ? A ? 4 HD3 1
   ATOM 96 N . GLU A 6 ? 5.34358 22.28080 27.21613 1.000 21.53087 N ? A ? 5 N 1
   ATOM 97 CA . GLU A 6 ? 5.85225 22.47077 25.86800 1.000 21.56048 C ? A ? 5 CA 1
   ATOM 98 C . GLU A 6 ? 4.74774 22.84523 24.89037 1.000 21.44396 C ? A ? 5 C 1
   ATOM 99 O . GLU A 6 ? 5.00905 23.49353 23.86973 1.000 21.32073 O ? A ? 5 O 1
   ATOM 100 CB . GLU A 6 ? 6.53642 21.18337 25.41140 1.000 25.76769 C ? A ? 5 CB 1
   ATOM 101 CG . GLU A 6 ? 7.92154 20.94122 25.98413 1.000 36.11226 C ? A ? 5 CG 1
   ATOM 102 CD . GLU A 6 ? 7.93529 20.11020 27.25258 1.000 32.60749 C ? A ? 5 CD 1
   ATOM 103 OE1 . GLU A 6 ? 6.88348 19.89702 27.90231 1.000 26.18400 O ? A ? 5 OE1 1
   ATOM 104 OE2 . GLU A 6 ? 9.06031 19.66742 27.62421 1.000 27.80029 O ? A ? 5 OE2 1
   ATOM 105 H . GLU A 6 ? 5.49181 21.50112 27.54739 1.000 25.83785 H ? A ? 5 H 1
   ATOM 106 HA . GLU A 6 ? 6.49913 23.19357 25.87115 1.000 25.87339 H ? A ? 5 HA 1
   ATOM 107 HB2 . GLU A 6 ? 5.98041 20.43294 25.67334 1.000 30.92203 H ? A ? 5 HB2 1
   ATOM 108 HB3 . GLU A 6 ? 6.62391 21.21031 24.44573 1.000 30.92203 H ? A ? 5 HB3 1
   ATOM 109 HG2 . GLU A 6 ? 8.45393 20.47400 25.32143 1.000 43.33551 H ? A ? 5 HG2 1
   ATOM 110 HG3 . GLU A 6 ? 8.32612 21.79834 26.19046 1.000 43.33551 H ? A ? 5 HG3 1
   ATOM 111 N . ASP A 7 ? 3.53557 22.34488 25.12382 1.000 20.64911 N ? A ? 6 N 1
   ATOM 112 CA . ASP A 7 ? 2.43241 22.72894 24.24470 1.000 22.22951 C ? A ? 6 CA 1
   ATOM 113 C . ASP A 7 ? 2.06677 24.20526 24.38197 1.000 18.57538 C ? A ? 6 C 1
   ATOM 114 O . ASP A 7 ? 1.72997 24.84759 23.38630 1.000 21.59862 O ? A ? 6 O 1
   ATOM 115 CB . ASP A 7 ? 1.24356 21.80212 24.48683 1.000 23.34149 C ? A ? 6 CB 1
   ATOM 116 CG . ASP A 7 ? 1.59460 20.32970 24.25580 1.000 23.34914 C ? A ? 6 CG 1
   ATOM 117 OD1 . ASP A 7 ? 1.36196 19.53920 25.17020 1.000 29.54991 O ? A ? 6 OD1 1
   ATOM 118 OD2 . ASP A 7 ? 2.10401 20.01952 23.17915 1.000 24.82758 O ? A ? 6 OD2 1
   ATOM 119 H . ASP A 7 ? 3.33211 21.80234 25.75931 1.000 24.77974 H ? A ? 6 H 1
   ATOM 120 HA . ASP A 7 ? 2.70498 22.61452 23.32084 1.000 26.67622 H ? A ? 6 HA 1
   ATOM 121 HB2 . ASP A 7 ? 0.94612 21.90059 25.40483 1.000 28.01059 H ? A ? 6 HB2 1
   ATOM 122 HB3 . ASP A 7 ? 0.52652 22.04005 23.87843 1.000 28.01059 H ? A ? 6 HB3 1
   ATOM 123 N . ALA A 8 ? 2.14418 24.71265 25.58400 1.000 17.62160 N ? A ? 7 N 1
   ATOM 124 CA . ALA A 8 ? 1.88107 26.13537 25.78587 1.000 18.91940 C ? A ? 7 CA 1
   ATOM 125 C . ALA A 8 ? 2.94723 26.97892 25.12322 1.000 19.01136 C ? A ? 7 C 1
   ATOM 126 O . ALA A 8 ? 2.65814 28.04008 24.54051 1.000 19.45962 O ? A ? 7 O 1
   ATOM 127 CB . ALA A 8 ? 1.85892 26.42709 27.27840 1.000 19.89155 C ? A ? 7 CB 1
   ATOM 128 H . ALA A 8 ? 2.34275 24.27371 26.29640 1.000 21.14673 H ? A ? 7 H 1
   ATOM 129 HA . ALA A 8 ? 1.02043 26.36204 25.40011 1.000 22.70408 H ? A ? 7 HA 1
   ATOM 130 HB1 . ALA A 8 ? 1.71159 27.37642 27.41248 1.000 23.87067 H ? A ? 7 HB1 1
   ATOM 131 HB2 . ALA A 8 ? 1.14117 25.91977 27.68871 1.000 23.87067 H ? A ? 7 HB2 1
   ATOM 132 HB3 . ALA A 8 ? 2.71020 26.16680 27.66372 1.000 23.87067 H ? A ? 7 HB3 1
   ATOM 133 N . VAL A 9 ? 4.20935 26.51364 25.19782 1.000 18.44463 N ? A ? 8 N 1
   ATOM 134 CA . VAL A 9 ? 5.29230 27.24109 24.55195 1.000 18.73723 C ? A ? 8 CA 1
   ATOM 135 C . VAL A 9 ? 5.06553 27.29697 23.04657 1.000 20.51994 C ? A ? 8 C 1
   ATOM 136 O . VAL A 9 ? 5.17813 28.35407 22.40563 1.000 20.03482 O ? A ? 8 O 1
   ATOM 137 CB . VAL A 9 ? 6.65672 26.60726 24.88964 1.000 18.83278 C ? A ? 8 CB 1
   ATOM 138 CG1 . VAL A 9 ? 7.73550 27.32263 24.14718 1.000 20.60241 C ? A ? 8 CG1 1
   ATOM 139 CG2 . VAL A 9 ? 6.88882 26.63859 26.37275 1.000 21.39490 C ? A ? 8 CG2 1
   ATOM 140 H . VAL A 9 ? 4.44861 25.79670 25.60811 1.000 22.13436 H ? A ? 8 H 1
   ATOM 141 HA . VAL A 9 ? 5.29390 28.14886 24.89377 1.000 22.48548 H ? A ? 8 HA 1
   ATOM 142 HB . VAL A 9 ? 6.67039 25.67700 24.61519 1.000 22.60014 H ? A ? 8 HB 1
   ATOM 143 HG11 . VAL A 9 ? 8.59369 27.08892 24.53421 1.000 24.72369 H ? A ? 8 HG11 1
   ATOM 144 HG12 . VAL A 9 ? 7.70884 27.05448 23.21536 1.000 24.72369 H ? A ? 8 HG12 1
   ATOM 145 HG13 . VAL A 9 ? 7.58889 28.27867 24.22059 1.000 24.72369 H ? A ? 8 HG13 1
   ATOM 146 HG21 . VAL A 9 ? 7.80741 26.38518 26.55406 1.000 25.67468 H ? A ? 8 HG21 1
   ATOM 147 HG22 . VAL A 9 ? 6.72280 27.53670 26.69947 1.000 25.67468 H ? A ? 8 HG22 1
   ATOM 148 HG23 . VAL A 9 ? 6.28270 26.01367 26.80052 1.000 25.67468 H ? A ? 8 HG23 1
   ATOM 149 N . LYS A 10 ? 4.75131 26.15226 22.45699 1.000 19.55567 N ? A ? 9 N 1
   ATOM 150 CA . LYS A 10 ? 4.50191 26.08617 21.02900 1.000 19.59337 C ? A ? 9 CA 1
   ATOM 151 C . LYS A 10 ? 3.33778 27.00638 20.64564 1.000 19.79963 C ? A ? 9 C 1
   ATOM 152 O . LYS A 10 ? 3.36482 27.68633 19.61874 1.000 19.65415 O ? A ? 9 O 1
   ATOM 153 H . LYS A 10 ? 4.67604 25.39787 22.86299 1.000 23.46761 H ? A ? 9 H 1
   ATOM 154 HA . LYS A 10 ? 5.29369 26.37582 20.54933 1.000 23.51285 H ? A ? 9 HA 1
   ATOM 155 CB A LYS A 10 ? 4.21660 24.63131 20.65242 0.470 22.03162 C ? A ? 9 CB 1
   ATOM 156 CG A LYS A 10 ? 3.91685 24.35115 19.19551 0.470 32.86469 C ? A ? 9 CG 1
   ATOM 157 CD A LYS A 10 ? 3.92279 22.84096 18.95350 0.470 35.35081 C ? A ? 9 CD 1
   ATOM 158 CE A LYS A 10 ? 3.64535 22.48699 17.49994 0.470 32.57205 C ? A ? 9 CE 1
   ATOM 159 NZ A LYS A 10 ? 3.54942 21.00563 17.29137 0.470 41.31282 N ? A ? 9 NZ 1
   ATOM 160 HB2 A LYS A 10 ? 4.99448 24.10208 20.88847 0.470 26.43875 H ? A ? 9 HB2 1
   ATOM 161 HB3 A LYS A 10 ? 3.44648 24.33480 21.16222 0.470 26.43875 H ? A ? 9 HB3 1
   ATOM 162 HG2 A LYS A 10 ? 3.04176 24.70149 18.96663 0.470 39.43843 H ? A ? 9 HG2 1
   ATOM 163 HG3 A LYS A 10 ? 4.59495 24.76063 18.63569 0.470 39.43843 H ? A ? 9 HG3 1
   ATOM 164 HD2 A LYS A 10 ? 4.79347 22.48442 19.18951 0.470 42.42178 H ? A ? 9 HD2 1
   ATOM 165 HD3 A LYS A 10 ? 3.23603 22.42847 19.50041 0.470 42.42178 H ? A ? 9 HD3 1
   ATOM 166 HE2 A LYS A 10 ? 2.80379 22.88619 17.22918 0.470 39.08727 H ? A ? 9 HE2 1
   ATOM 167 HE3 A LYS A 10 ? 4.36628 22.82489 16.94587 0.470 39.08727 H ? A ? 9 HE3 1
   ATOM 168 HZ1 A LYS A 10 ? 3.50497 20.82295 16.42145 0.470 49.57619 H ? A ? 9 HZ1 1
   ATOM 169 HZ2 A LYS A 10 ? 4.26490 20.60290 17.63488 0.470 49.57619 H ? A ? 9 HZ2 1
   ATOM 170 HZ3 A LYS A 10 ? 2.81996 20.68861 17.69072 0.470 49.57619 H ? A ? 9 HZ3 1
   ATOM 171 CB B LYS A 10 ? 4.20096 24.64526 20.62650 0.530 22.22317 C ? A ? 9 CB 1
   ATOM 172 CG B LYS A 10 ? 3.97289 24.45056 19.14313 0.530 32.98494 C ? A ? 9 CG 1
   ATOM 173 CD B LYS A 10 ? 5.29510 24.53414 18.39386 0.530 35.35880 C ? A ? 9 CD 1
   ATOM 174 CE B LYS A 10 ? 5.19591 24.03615 16.95670 0.530 31.38240 C ? A ? 9 CE 1
   ATOM 175 NZ B LYS A 10 ? 4.26385 24.79557 16.06313 0.530 29.10535 N ? A ? 9 NZ 1
   ATOM 176 HB2 B LYS A 10 ? 4.95179 24.08794 20.88447 0.530 26.66861 H ? A ? 9 HB2 1
   ATOM 177 HB3 B LYS A 10 ? 3.39861 24.35543 21.08817 0.530 26.66861 H ? A ? 9 HB3 1
   ATOM 178 HG2 B LYS A 10 ? 3.58101 23.57746 18.98495 0.530 39.58274 H ? A ? 9 HG2 1
   ATOM 179 HG3 B LYS A 10 ? 3.38269 25.14443 18.80978 0.530 39.58274 H ? A ? 9 HG3 1
   ATOM 180 HD2 B LYS A 10 ? 5.58675 25.45895 18.37014 0.530 42.43136 H ? A ? 9 HD2 1
   ATOM 181 HD3 B LYS A 10 ? 5.95362 23.99029 18.85372 0.530 42.43136 H ? A ? 9 HD3 1
   ATOM 182 HE2 B LYS A 10 ? 6.07829 24.08417 16.55670 0.530 37.65968 H ? A ? 9 HE2 1
   ATOM 183 HE3 B LYS A 10 ? 4.88923 23.11607 16.97422 0.530 37.65968 H ? A ? 9 HE3 1
   ATOM 184 HZ1 B LYS A 10 ? 3.91843 24.25067 15.45005 0.530 34.92722 H ? A ? 9 HZ1 1
   ATOM 185 HZ2 B LYS A 10 ? 3.60180 25.14758 16.54258 0.530 34.92722 H ? A ? 9 HZ2 1
   ATOM 186 HZ3 B LYS A 10 ? 4.70313 25.45141 15.65203 0.530 34.92722 H ? A ? 9 HZ3 1
   ATOM 187 N . TYR A 11 ? 2.27206 26.98961 21.44621 1.000 20.16239 N ? A ? 10 N 1
   ATOM 188 CA . TYR A 11 ? 1.11236 27.83501 21.14271 1.000 17.65376 C ? A ? 10 CA 1
   ATOM 189 C . TYR A 11 ? 1.48695 29.30137 21.18177 1.000 17.76345 C ? A ? 10 C 1
   ATOM 190 O . TYR A 11 ? 1.20568 30.05024 20.23500 1.000 17.51792 O ? A ? 10 O 1
   ATOM 191 CB . TYR A 11 ? -0.01472 27.53192 22.09853 1.000 17.35218 C ? A ? 10 CB 1
   ATOM 192 CG . TYR A 11 ? -1.22803 28.39895 21.91270 1.000 17.08483 C ? A ? 10 CG 1
   ATOM 193 CD1 . TYR A 11 ? -2.35325 27.90507 21.26832 1.000 19.27406 C ? A ? 10 CD1 1
   ATOM 194 CD2 . TYR A 11 ? -1.24980 29.71793 22.35917 1.000 17.03874 C ? A ? 10 CD2 1
   ATOM 195 CE1 . TYR A 11 ? -3.48168 28.68242 21.10665 1.000 19.90065 C ? A ? 10 CE1 1
   ATOM 196 CE2 . TYR A 11 ? -2.38359 30.51350 22.21180 1.000 18.77731 C ? A ? 10 CE2 1
   ATOM 197 CZ . TYR A 11 ? -3.48337 29.99524 21.58391 1.000 17.85741 C ? A ? 10 CZ 1
   ATOM 198 OH . TYR A 11 ? -4.62707 30.79149 21.41471 1.000 19.54488 O ? A ? 10 OH 1
   ATOM 199 H . TYR A 11 ? 2.19417 26.50981 22.15566 1.000 24.19568 H ? A ? 10 H 1
   ATOM 200 HA . TYR A 11 ? 0.79861 27.63297 20.24736 1.000 21.18532 H ? A ? 10 HA 1
   ATOM 201 HB2 . TYR A 11 ? -0.28933 26.61020 21.97230 1.000 20.82343 H ? A ? 10 HB2 1
   ATOM 202 HB3 . TYR A 11 ? 0.30398 27.66190 23.00541 1.000 20.82343 H ? A ? 10 HB3 1
   ATOM 203 HD1 . TYR A 11 ? -2.34673 27.03508 20.93973 1.000 23.12968 H ? A ? 10 HD1 1
   ATOM 204 HD2 . TYR A 11 ? -0.49221 30.07465 22.76379 1.000 20.44729 H ? A ? 10 HD2 1
   ATOM 205 HE1 . TYR A 11 ? -4.23400 28.33564 20.68396 1.000 23.88159 H ? A ? 10 HE1 1
   ATOM 206 HE2 . TYR A 11 ? -2.39300 31.38519 22.53580 1.000 22.53358 H ? A ? 10 HE2 1
   ATOM 207 HH . TYR A 11 ? -4.48710 31.56305 21.71588 1.000 23.45466 H ? A ? 10 HH 1
   ATOM 208 N A ARG A 12 ? 2.12180 29.75787 22.26156 0.741 18.64648 N ? A ? 11 N 1
   ATOM 209 CA A ARG A 12 ? 2.39614 31.18925 22.34245 0.741 17.89434 C ? A ? 11 CA 1
   ATOM 210 C A ARG A 12 ? 3.36389 31.61850 21.25157 0.741 18.58576 C ? A ? 11 C 1
   ATOM 211 O A ARG A 12 ? 3.22160 32.69954 20.68204 0.741 19.84312 O ? A ? 11 O 1
   ATOM 212 CB A ARG A 12 ? 2.86971 31.62593 23.73750 0.741 19.65447 C ? A ? 11 CB 1
   ATOM 213 CG A ARG A 12 ? 4.28113 31.22239 24.16288 0.741 17.82478 C ? A ? 11 CG 1
   ATOM 214 CD A ARG A 12 ? 4.28324 31.09866 25.68079 0.741 19.93129 C ? A ? 11 CD 1
   ATOM 215 NE A ARG A 12 ? 5.59425 30.74566 26.22162 0.741 19.58906 N ? A ? 11 NE 1
   ATOM 216 CZ A ARG A 12 ? 5.79009 30.11340 27.37205 0.741 19.13747 C ? A ? 11 CZ 1
   ATOM 217 NH1 A ARG A 12 ? 4.77232 29.63174 28.08000 0.741 22.11492 N ? A ? 11 NH1 1
   ATOM 218 NH2 A ARG A 12 ? 7.04722 29.92119 27.80786 0.741 22.38884 N ? A ? 11 NH2 1
   ATOM 219 H A ARG A 12 ? 2.39032 29.28363 22.92683 0.741 22.37658 H ? A ? 11 H 1
   ATOM 220 HA A ARG A 12 ? 1.55783 31.65804 22.20693 0.741 21.47401 H ? A ? 11 HA 1
   ATOM 221 HB2 A ARG A 12 ? 2.83257 32.59453 23.77409 0.741 23.58617 H ? A ? 11 HB2 1
   ATOM 222 HB3 A ARG A 12 ? 2.26123 31.24571 24.39025 0.741 23.58617 H ? A ? 11 HB3 1
   ATOM 223 HG2 A ARG A 12 ? 4.51962 30.36809 23.77022 0.741 21.39054 H ? A ? 11 HG2 1
   ATOM 224 HG3 A ARG A 12 ? 4.92037 31.90084 23.89460 0.741 21.39054 H ? A ? 11 HG3 1
   ATOM 225 HD2 A ARG A 12 ? 4.01940 31.94842 26.06707 0.741 23.91836 H ? A ? 11 HD2 1
   ATOM 226 HD3 A ARG A 12 ? 3.65586 30.40648 25.94189 0.741 23.91836 H ? A ? 11 HD3 1
   ATOM 227 HE A ARG A 12 ? 6.28785 30.96297 25.76195 0.741 23.50768 H ? A ? 11 HE 1
   ATOM 228 HH11 A ARG A 12 ? 3.96670 29.72706 27.79453 0.741 26.53871 H ? A ? 11 HH11 1
   ATOM 229 HH12 A ARG A 12 ? 4.91986 29.22499 28.82323 0.741 26.53871 H ? A ? 11 HH12 1
   ATOM 230 HH21 A ARG A 12 ? 7.71192 30.20655 27.34275 0.741 26.86741 H ? A ? 11 HH21 1
   ATOM 231 HH22 A ARG A 12 ? 7.18672 29.51286 28.55178 0.741 26.86741 H ? A ? 11 HH22 1
   ATOM 232 N B ARG A 12 ? 2.14218 29.74617 22.25389 0.259 18.68049 N ? A ? 11 N 1
   ATOM 233 CA B ARG A 12 ? 2.40760 31.17448 22.38488 0.259 18.18139 C ? A ? 11 CA 1
   ATOM 234 C B ARG A 12 ? 3.44024 31.66095 21.37308 0.259 20.17411 C ? A ? 11 C 1
   ATOM 235 O B ARG A 12 ? 3.41387 32.83419 20.98617 0.259 17.25507 O ? A ? 11 O 1
   ATOM 236 CB B ARG A 12 ? 2.82524 31.52291 23.81570 0.259 19.12215 C ? A ? 11 CB 1
   ATOM 237 CG B ARG A 12 ? 4.16927 30.96273 24.24984 0.259 18.52457 C ? A ? 11 CG 1
   ATOM 238 CD B ARG A 12 ? 4.20635 30.84427 25.75915 0.259 21.83594 C ? A ? 11 CD 1
   ATOM 239 NE B ARG A 12 ? 5.51428 30.44165 26.26088 0.259 21.49849 N ? A ? 11 NE 1
   ATOM 240 CZ B ARG A 12 ? 5.73271 29.95651 27.47571 0.259 21.05546 C ? A ? 11 CZ 1
   ATOM 241 NH1 B ARG A 12 ? 4.73871 29.72661 28.32005 0.259 18.75671 N ? A ? 11 NH1 1
   ATOM 242 NH2 B ARG A 12 ? 6.98083 29.68509 27.85227 0.259 19.19678 N ? A ? 11 NH2 1
   ATOM 243 H B ARG A 12 ? 2.43391 29.25697 22.89823 0.259 22.41740 H ? A ? 11 H 1
   ATOM 244 HA B ARG A 12 ? 1.58298 31.65354 22.20768 0.259 21.81848 H ? A ? 11 HA 1
   ATOM 245 HB2 B ARG A 12 ? 2.87413 32.48850 23.89419 0.259 22.94739 H ? A ? 11 HB2 1
   ATOM 246 HB3 B ARG A 12 ? 2.15513 31.17411 24.42413 0.259 22.94739 H ? A ? 11 HB3 1
   ATOM 247 HG2 B ARG A 12 ? 4.29852 30.08236 23.86365 0.259 22.23029 H ? A ? 11 HG2 1
   ATOM 248 HG3 B ARG A 12 ? 4.88060 31.55759 23.96513 0.259 22.23029 H ? A ? 11 HG3 1
   ATOM 249 HD2 B ARG A 12 ? 3.98744 31.70486 26.14947 0.259 26.20393 H ? A ? 11 HD2 1
   ATOM 250 HD3 B ARG A 12 ? 3.55947 30.17833 26.04017 0.259 26.20393 H ? A ? 11 HD3 1
   ATOM 251 HE B ARG A 12 ? 6.18912 30.52416 25.73421 0.259 25.79900 H ? A ? 11 HE 1
   ATOM 252 HH11 B ARG A 12 ? 3.92812 29.89229 28.08533 0.259 22.50885 H ? A ? 11 HH11 1
   ATOM 253 HH12 B ARG A 12 ? 4.90380 29.41163 29.10308 0.259 22.50885 H ? A ? 11 HH12 1
   ATOM 254 HH21 B ARG A 12 ? 7.63357 29.82471 27.31001 0.259 23.03694 H ? A ? 11 HH21 1
   ATOM 255 HH22 B ARG A 12 ? 7.13416 29.37018 28.63772 0.259 23.03694 H ? A ? 11 HH22 1
   ATOM 256 N . GLN A 13 ? 4.36663 30.79098 20.95410 1.000 19.39963 N ? A ? 12 N 1
   ATOM 257 CA . GLN A 13 ? 5.29394 31.15616 19.89103 1.000 20.54725 C ? A ? 12 CA 1
   ATOM 258 C . GLN A 13 ? 4.57082 31.30789 18.56079 1.000 17.41535 C ? A ? 12 C 1
   ATOM 259 O . GLN A 13 ? 4.89042 32.21383 17.78337 1.000 21.11612 O ? A ? 12 O 1
   ATOM 260 CB . GLN A 13 ? 6.43413 30.13242 19.80645 1.000 18.17884 C ? A ? 12 CB 1
   ATOM 261 CG . GLN A 13 ? 7.32509 30.18451 21.01028 1.000 20.03504 C ? A ? 12 CG 1
   ATOM 262 CD . GLN A 13 ? 8.49409 29.24615 20.92370 1.000 20.72963 C ? A ? 12 CD 1
   ATOM 263 OE1 . GLN A 13 ? 8.51441 28.33208 20.07434 1.000 24.26224 O ? A ? 12 OE1 1
   ATOM 264 NE2 . GLN A 13 ? 9.45447 29.45620 21.78719 1.000 21.16245 N ? A ? 12 NE2 1
   ATOM 265 HA . GLN A 13 ? 5.69714 32.01325 20.10017 1.000 24.65751 H ? A ? 12 HA 1
   ATOM 266 HB2 . GLN A 13 ? 6.05769 29.24051 19.74562 1.000 21.81541 H ? A ? 12 HB2 1
   ATOM 267 HB3 . GLN A 13 ? 6.97273 30.31943 19.02170 1.000 21.81541 H ? A ? 12 HB3 1
   ATOM 268 HG2 . GLN A 13 ? 7.67254 31.08515 21.10526 1.000 24.04285 H ? A ? 12 HG2 1
   ATOM 269 HG3 . GLN A 13 ? 6.80767 29.94408 21.79473 1.000 24.04285 H ? A ? 12 HG3 1
   ATOM 270 HE21 . GLN A 13 ? 9.38942 30.09904 22.35474 1.000 25.39575 H ? A ? 12 HE21 1
   ATOM 271 HE22 . GLN A 13 ? 10.15074 28.95141 21.78717 1.000 25.39575 H ? A ? 12 HE22 1
   ATOM 272 H A GLN A 13 ? 4.52484 30.03903 21.34030 0.741 23.28036 H ? A ? 12 H 1
   ATOM 273 H B GLN A 13 ? 4.47406 29.99695 21.26648 0.259 23.28036 H ? A ? 12 H 1
   ATOM 274 N . SER A 14 ? 3.63166 30.41694 18.28197 1.000 18.20280 N ? A ? 13 N 1
   ATOM 275 CA . SER A 14 ? 2.88237 30.52698 17.04085 1.000 18.49326 C ? A ? 13 CA 1
   ATOM 276 C . SER A 14 ? 1.98094 31.75098 17.04199 1.000 20.86506 C ? A ? 13 C 1
   ATOM 277 O . SER A 14 ? 1.90453 32.46235 16.03581 1.000 20.78034 O ? A ? 13 O 1
   ATOM 278 CB . SER A 14 ? 1.98131 29.31082 16.85409 1.000 18.56955 C ? A ? 13 CB 1
   ATOM 279 OG . SER A 14 ? 2.74893 28.15795 16.58996 1.000 22.64453 O ? A ? 13 OG 1
   ATOM 280 H . SER A 14 ? 3.41256 29.75307 18.78285 1.000 21.84417 H ? A ? 13 H 1
   ATOM 281 HA . SER A 14 ? 3.52833 30.58246 16.31936 1.000 22.19272 H ? A ? 13 HA 1
   ATOM 282 HB2 . SER A 14 ? 1.46776 29.17007 17.66487 1.000 22.28426 H ? A ? 13 HB2 1
   ATOM 283 HB3 . SER A 14 ? 1.38410 29.47133 16.10678 1.000 22.28426 H ? A ? 13 HB3 1
   ATOM 284 HG . SER A 14 ? 2.96239 27.78351 17.31096 1.000 27.17424 H ? A ? 13 HG 1
   ATOM 285 N . ALA A 15 ? 1.35360 32.02658 18.18205 1.000 18.52828 N ? A ? 14 N 1
   ATOM 286 CA . ALA A 15 ? 0.49511 33.20329 18.24823 1.000 20.12034 C ? A ? 14 CA 1
   ATOM 287 C . ALA A 15 ? 1.28542 34.46343 18.07804 1.000 20.68498 C ? A ? 14 C 1
   ATOM 288 O . ALA A 15 ? 0.87362 35.36774 17.35644 1.000 20.86824 O ? A ? 14 O 1
   ATOM 289 CB . ALA A 15 ? -0.22607 33.24770 19.58261 1.000 22.41012 C ? A ? 14 CB 1
   ATOM 290 H . ALA A 15 ? 1.40612 31.56507 18.90582 1.000 22.23474 H ? A ? 14 H 1
   ATOM 291 HA . ALA A 15 ? -0.15963 33.14123 17.53524 1.000 24.14521 H ? A ? 14 HA 1
   ATOM 292 HB1 . ALA A 15 ? -0.79175 34.03520 19.60980 1.000 26.89295 H ? A ? 14 HB1 1
   ATOM 293 HB2 . ALA A 15 ? -0.76739 32.44820 19.67578 1.000 26.89295 H ? A ? 14 HB2 1
   ATOM 294 HB3 . ALA A 15 ? 0.43068 33.28741 20.29536 1.000 26.89295 H ? A ? 14 HB3 1
   ATOM 295 N A LEU A 16 ? 2.45652 34.51777 18.70247 0.617 19.78494 N ? A ? 15 N 1
   ATOM 296 CA A LEU A 16 ? 3.31176 35.67913 18.59918 0.617 21.11245 C ? A ? 15 CA 1
   ATOM 297 C A LEU A 16 ? 3.82961 35.84327 17.18227 0.617 19.81396 C ? A ? 15 C 1
   ATOM 298 O A LEU A 16 ? 3.81555 36.94266 16.63935 0.617 18.25551 O ? A ? 15 O 1
   ATOM 299 CB A LEU A 16 ? 4.41134 35.57295 19.65361 0.617 18.23470 C ? A ? 15 CB 1
   ATOM 300 CG A LEU A 16 ? 3.77759 35.70685 21.04379 0.617 19.14922 C ? A ? 15 CG 1
   ATOM 301 CD1 A LEU A 16 ? 4.74571 35.08714 22.05170 0.617 18.11137 C ? A ? 15 CD1 1
   ATOM 302 CD2 A LEU A 16 ? 3.43027 37.15681 21.39720 0.617 23.33641 C ? A ? 15 CD2 1
   ATOM 303 H A LEU A 16 ? 2.77703 33.88921 19.19420 0.617 23.74273 H ? A ? 15 H 1
   ATOM 304 HA A LEU A 16 ? 2.82373 36.49476 18.79276 0.617 25.33574 H ? A ? 15 HA 1
   ATOM 305 HB2 A LEU A 16 ? 4.85081 34.71081 19.58674 0.617 21.88244 H ? A ? 15 HB2 1
   ATOM 306 HB3 A LEU A 16 ? 5.05781 36.28538 19.52944 0.617 21.88244 H ? A ? 15 HB3 1
   ATOM 307 HG A LEU A 16 ? 2.92776 35.23996 21.07033 0.617 22.97987 H ? A ? 15 HG 1
   ATOM 308 HD11 A LEU A 16 ? 4.60459 35.49811 22.91893 0.617 21.73445 H ? A ? 15 HD11 1
   ATOM 309 HD12 A LEU A 16 ? 4.57715 34.13346 22.10623 0.617 21.73445 H ? A ? 15 HD12 1
   ATOM 310 HD13 A LEU A 16 ? 5.65534 35.24582 21.75455 0.617 21.73445 H ? A ? 15 HD13 1
   ATOM 311 HD21 A LEU A 16 ? 3.08469 37.18697 22.30305 0.617 28.00450 H ? A ? 15 HD21 1
   ATOM 312 HD22 A LEU A 16 ? 4.23201 37.69877 21.33081 0.617 28.00450 H ? A ? 15 HD22 1
   ATOM 313 HD23 A LEU A 16 ? 2.75938 37.48119 20.77625 0.617 28.00450 H ? A ? 15 HD23 1
   ATOM 314 N B LEU A 16 ? 2.45926 34.53818 18.71918 0.383 19.76407 N ? A ? 15 N 1
   ATOM 315 CA B LEU A 16 ? 3.30147 35.71863 18.60024 0.383 22.38233 C ? A ? 15 CA 1
   ATOM 316 C B LEU A 16 ? 3.89886 35.85602 17.20233 0.383 20.08732 C ? A ? 15 C 1
   ATOM 317 O B LEU A 16 ? 4.07220 36.97475 16.71227 0.383 22.18284 O ? A ? 15 O 1
   ATOM 318 CB B LEU A 16 ? 4.37978 35.72738 19.69196 0.383 19.30583 C ? A ? 15 CB 1
   ATOM 319 CG B LEU A 16 ? 3.88858 36.14860 21.08209 0.383 20.44974 C ? A ? 15 CG 1
   ATOM 320 CD1 B LEU A 16 ? 4.82106 35.64936 22.19982 0.383 17.49108 C ? A ? 15 CD1 1
   ATOM 321 CD2 B LEU A 16 ? 3.70204 37.67901 21.19325 0.383 16.51120 C ? A ? 15 CD2 1
   ATOM 322 H B LEU A 16 ? 2.78277 33.92122 19.22346 0.383 23.71769 H ? A ? 15 H 1
   ATOM 323 HA B LEU A 16 ? 2.75576 36.50676 18.74838 0.383 26.85960 H ? A ? 15 HA 1
   ATOM 324 HB2 B LEU A 16 ? 4.74414 34.83182 19.77021 0.383 23.16780 H ? A ? 15 HB2 1
   ATOM 325 HB3 B LEU A 16 ? 5.07757 36.34761 19.42873 0.383 23.16780 H ? A ? 15 HB3 1
   ATOM 326 HG B LEU A 16 ? 3.02147 35.73250 21.20813 0.383 24.54050 H ? A ? 15 HG 1
   ATOM 327 HD11 B LEU A 16 ? 4.82232 36.29634 22.92254 0.383 20.99010 H ? A ? 15 HD11 1
   ATOM 328 HD12 B LEU A 16 ? 4.49746 34.79372 22.52240 0.383 20.99010 H ? A ? 15 HD12 1
   ATOM 329 HD13 B LEU A 16 ? 5.71750 35.55066 21.84266 0.383 20.99010 H ? A ? 15 HD13 1
   ATOM 330 HD21 B LEU A 16 ? 3.28467 37.88530 22.04422 0.383 19.81424 H ? A ? 15 HD21 1
   ATOM 331 HD22 B LEU A 16 ? 4.57036 38.10782 21.13813 0.383 19.81424 H ? A ? 15 HD22 1
   ATOM 332 HD23 B LEU A 16 ? 3.13674 37.98193 20.46552 0.383 19.81424 H ? A ? 15 HD23 1
   ATOM 333 N . THR A 17 ? 4.19780 34.73901 16.53775 1.000 20.11165 N ? A ? 16 N 1
   ATOM 334 CA . THR A 17 ? 4.60639 34.79650 15.14065 1.000 18.94715 C ? A ? 16 CA 1
   ATOM 335 C . THR A 17 ? 3.50523 35.40870 14.26404 1.000 19.82560 C ? A ? 16 C 1
   ATOM 336 O . THR A 17 ? 3.77670 36.25531 13.39281 1.000 21.29077 O ? A ? 16 O 1
   ATOM 337 CB . THR A 17 ? 4.96601 33.36303 14.70831 1.000 19.85072 C ? A ? 16 CB 1
   ATOM 338 OG1 . THR A 17 ? 6.18909 32.90930 15.34684 1.000 20.91884 O ? A ? 16 OG1 1
   ATOM 339 CG2 . THR A 17 ? 5.14717 33.27410 13.21660 1.000 24.03021 C ? A ? 16 CG2 1
   ATOM 340 HA . THR A 17 ? 5.38514 35.36338 15.02618 1.000 22.73739 H ? A ? 16 HA 1
   ATOM 341 HB . THR A 17 ? 4.23448 32.78486 14.97568 1.000 23.82167 H ? A ? 16 HB 1
   ATOM 342 HG1 . THR A 17 ? 6.16732 33.08619 16.16771 1.000 25.10341 H ? A ? 16 HG1 1
   ATOM 343 HG21 . THR A 17 ? 5.59751 32.44655 12.98584 1.000 28.83706 H ? A ? 16 HG21 1
   ATOM 344 HG22 . THR A 17 ? 4.28349 33.29605 12.77562 1.000 28.83706 H ? A ? 16 HG22 1
   ATOM 345 HG23 . THR A 17 ? 5.68030 34.02092 12.90205 1.000 28.83706 H ? A ? 16 HG23 1
   ATOM 346 H A THR A 17 ? 4.21941 33.95201 16.88380 0.617 24.13479 H ? A ? 16 H 1
   ATOM 347 H B THR A 17 ? 4.17171 33.94637 16.87037 0.383 24.13479 H ? A ? 16 H 1
   ATOM 348 N A LEU A 18 ? 2.26968 34.93601 14.42940 0.558 20.49764 N ? A ? 17 N 1
   ATOM 349 CA A LEU A 18 ? 1.20432 35.42600 13.55774 0.558 19.84982 C ? A ? 17 CA 1
   ATOM 350 C A LEU A 18 ? 0.84754 36.86610 13.86513 0.558 24.99943 C ? A ? 17 C 1
   ATOM 351 O A LEU A 18 ? 0.49055 37.62876 12.96520 0.558 20.81783 O ? A ? 17 O 1
   ATOM 352 CB A LEU A 18 ? -0.03293 34.59214 13.75958 0.558 26.67695 C ? A ? 17 CB 1
   ATOM 353 CG A LEU A 18 ? 0.04330 33.12063 13.37524 0.558 28.80318 C ? A ? 17 CG 1
   ATOM 354 CD1 A LEU A 18 ? -1.22953 32.57835 13.99869 0.558 18.39625 C ? A ? 17 CD1 1
   ATOM 355 CD2 A LEU A 18 ? 0.09767 32.89542 11.92620 0.558 16.06989 C ? A ? 17 CD2 1
   ATOM 356 H A LEU A 18 ? 2.03103 34.35400 15.01584 0.558 24.59797 H ? A ? 17 H 1
   ATOM 357 HA A LEU A 18 ? 1.51339 35.35868 12.64076 0.558 23.82059 H ? A ? 17 HA 1
   ATOM 358 HB2 A LEU A 18 ? -0.26281 34.62517 14.70137 0.558 32.01314 H ? A ? 17 HB2 1
   ATOM 359 HB3 A LEU A 18 ? -0.74491 34.98442 13.23034 0.558 32.01314 H ? A ? 17 HB3 1
   ATOM 360 HG A LEU A 18 ? 0.85147 32.67935 13.68025 0.558 34.56462 H ? A ? 17 HG 1
   ATOM 361 HD11 A LEU A 18 ? -1.26169 31.61796 13.86636 0.558 22.07630 H ? A ? 17 HD11 1
   ATOM 362 HD12 A LEU A 18 ? -1.22811 32.78171 14.94713 0.558 22.07630 H ? A ? 17 HD12 1
   ATOM 363 HD13 A LEU A 18 ? -1.99343 32.99684 13.57181 0.558 22.07630 H ? A ? 17 HD13 1
   ATOM 364 HD21 A LEU A 18 ? 0.16370 31.94258 11.75695 0.558 19.28468 H ? A ? 17 HD21 1
   ATOM 365 HD22 A LEU A 18 ? -0.71013 33.24810 11.52126 0.558 19.28468 H ? A ? 17 HD22 1
   ATOM 366 HD23 A LEU A 18 ? 0.87455 33.35017 11.56486 0.558 19.28468 H ? A ? 17 HD23 1
   ATOM 367 N B LEU A 18 ? 2.25639 35.00974 14.48655 0.442 21.81098 N ? A ? 17 N 1
   ATOM 368 CA B LEU A 18 ? 1.17569 35.62865 13.71387 0.442 21.86625 C ? A ? 17 CA 1
   ATOM 369 C B LEU A 18 ? 1.05263 37.12772 13.99795 0.442 19.45713 C ? A ? 17 C 1
   ATOM 370 O B LEU A 18 ? 1.01663 37.94507 13.06562 0.442 20.64223 O ? A ? 17 O 1
   ATOM 371 CB B LEU A 18 ? -0.16873 34.94852 13.94968 0.442 18.93983 C ? A ? 17 CB 1
   ATOM 372 CG B LEU A 18 ? -0.40714 33.59698 13.25236 0.442 26.60763 C ? A ? 17 CG 1
   ATOM 373 CD1 B LEU A 18 ? -1.87334 33.40673 12.80128 0.442 29.20346 C ? A ? 17 CD1 1
   ATOM 374 CD2 B LEU A 18 ? 0.54325 33.36602 12.05838 0.442 24.89376 C ? A ? 17 CD2 1
   ATOM 375 H B LEU A 18 ? 2.01479 34.40959 15.05316 0.442 26.17398 H ? A ? 17 H 1
   ATOM 376 HA B LEU A 18 ? 1.40555 35.50285 12.77993 0.442 26.24031 H ? A ? 17 HA 1
   ATOM 377 HB2 B LEU A 18 ? -0.26068 34.79387 14.90285 0.442 22.72860 H ? A ? 17 HB2 1
   ATOM 378 HB3 B LEU A 18 ? -0.86453 35.55058 13.64263 0.442 22.72860 H ? A ? 17 HB3 1
   ATOM 379 HG B LEU A 18 ? -0.21321 32.92144 13.92089 0.442 31.92996 H ? A ? 17 HG 1
   ATOM 380 HD11 B LEU A 18 ? -1.96209 32.54113 12.37261 0.442 35.04496 H ? A ? 17 HD11 1
   ATOM 381 HD12 B LEU A 18 ? -2.45135 33.45154 13.57896 0.442 35.04496 H ? A ? 17 HD12 1
   ATOM 382 HD13 B LEU A 18 ? -2.10522 34.11093 12.17579 0.442 35.04496 H ? A ? 17 HD13 1
   ATOM 383 HD21 B LEU A 18 ? 0.31160 32.52825 11.62782 0.442 29.87332 H ? A ? 17 HD21 1
   ATOM 384 HD22 B LEU A 18 ? 0.44530 34.09881 11.43043 0.442 29.87332 H ? A ? 17 HD22 1
   ATOM 385 HD23 B LEU A 18 ? 1.45623 33.32922 12.38398 0.442 29.87332 H ? A ? 17 HD23 1
   ATOM 386 N A MET A 19 ? 0.83649 37.20693 15.14534 0.558 22.73628 N ? A ? 18 N 1
   ATOM 387 CA A MET A 19 ? 0.66067 38.59012 15.57192 0.558 23.27738 C ? A ? 18 CA 1
   ATOM 388 C A MET A 19 ? 1.70286 39.51456 14.91492 0.558 28.33644 C ? A ? 18 C 1
   ATOM 389 O A MET A 19 ? 1.31914 40.53261 14.32926 0.558 28.17931 O ? A ? 18 O 1
   ATOM 390 CB A MET A 19 ? 0.59256 38.58545 17.11500 0.558 18.66592 C ? A ? 18 CB 1
   ATOM 391 CG A MET A 19 ? 0.12299 39.85653 17.84163 0.558 26.51854 C ? A ? 18 CG 1
   ATOM 392 SD A MET A 19 ? 0.45433 39.69155 19.63991 0.558 21.26587 S ? A ? 18 SD 1
   ATOM 393 CE A MET A 19 ? 2.16809 40.18552 19.71874 0.558 27.74159 C ? A ? 18 CE 1
   ATOM 394 H A MET A 19 ? 0.92952 36.65256 15.79620 0.558 27.28435 H ? A ? 18 H 1
   ATOM 395 HA A MET A 19 ? -0.18201 38.97255 15.28116 0.558 27.93366 H ? A ? 18 HA 1
   ATOM 396 HB2 A MET A 19 ? -0.01734 37.87849 17.37792 0.558 22.39991 H ? A ? 18 HB2 1
   ATOM 397 HB3 A MET A 19 ? 1.48420 38.39443 17.44575 0.558 22.39991 H ? A ? 18 HB3 1
   ATOM 398 HG2 A MET A 19 ? 0.60641 40.62624 17.50288 0.558 31.82305 H ? A ? 18 HG2 1
   ATOM 399 HG3 A MET A 19 ? -0.83004 39.97824 17.70811 0.558 31.82305 H ? A ? 18 HG3 1
   ATOM 400 HE1 A MET A 19 ? 2.43159 40.26425 20.64894 0.558 33.29071 H ? A ? 18 HE1 1
   ATOM 401 HE2 A MET A 19 ? 2.71095 39.51399 19.27687 0.558 33.29071 H ? A ? 18 HE2 1
   ATOM 402 HE3 A MET A 19 ? 2.27118 41.04045 19.27225 0.558 33.29071 H ? A ? 18 HE3 1
   ATOM 403 N B MET A 19 ? 1.00134 37.51155 15.27854 0.442 16.74482 N ? A ? 18 N 1
   ATOM 404 CA B MET A 19 ? 0.79285 38.92615 15.56546 0.442 19.68567 C ? A ? 18 CA 1
   ATOM 405 C B MET A 19 ? 1.84773 39.70430 14.89302 0.442 30.99100 C ? A ? 18 C 1
   ATOM 406 O B MET A 19 ? 1.65498 40.83570 14.42572 0.442 35.02508 O ? A ? 18 O 1
   ATOM 407 CB B MET A 19 ? 1.04562 39.22400 17.02379 0.442 21.07387 C ? A ? 18 CB 1
   ATOM 408 CG B MET A 19 ? 0.04231 38.66674 17.88549 0.442 17.96600 C ? A ? 18 CG 1
   ATOM 409 SD B MET A 19 ? 0.47730 38.65606 19.60766 0.442 21.09301 S ? A ? 18 SD 1
   ATOM 410 CE B MET A 19 ? 1.32852 40.22583 19.76243 0.442 20.42247 C ? A ? 18 CE 1
   ATOM 411 H B MET A 19 ? 1.08076 36.99619 15.96242 0.442 20.09459 H ? A ? 18 H 1
   ATOM 412 HA B MET A 19 ? -0.11678 39.14143 15.30639 0.442 23.62361 H ? A ? 18 HA 1
   ATOM 413 HB2 B MET A 19 ? 1.90295 38.84866 17.27876 0.442 25.28945 H ? A ? 18 HB2 1
   ATOM 414 HB3 B MET A 19 ? 1.05266 40.18531 17.15314 0.442 25.28945 H ? A ? 18 HB3 1
   ATOM 415 HG2 B MET A 19 ? -0.77048 39.18782 17.79190 0.442 21.56001 H ? A ? 18 HG2 1
   ATOM 416 HG3 B MET A 19 ? -0.11981 37.74837 17.61863 0.442 21.56001 H ? A ? 18 HG3 1
   ATOM 417 HE1 B MET A 19 ? 1.48906 40.40674 20.70179 0.442 24.50777 H ? A ? 18 HE1 1
   ATOM 418 HE2 B MET A 19 ? 2.17214 40.17590 19.28630 0.442 24.50777 H ? A ? 18 HE2 1
   ATOM 419 HE3 B MET A 19 ? 0.77427 40.92456 19.38101 0.442 24.50777 H ? A ? 18 HE3 1
   ATOM 420 N . ALA A 20 ? 3.01087 39.14236 14.93661 1.000 28.98601 N ? A ? 19 N 1
   ATOM 421 CA . ALA A 20 ? 4.09421 39.90704 14.39159 1.000 22.88555 C ? A ? 19 CA 1
   ATOM 422 C . ALA A 20 ? 3.96259 40.07433 12.89028 1.000 25.17066 C ? A ? 19 C 1
   ATOM 423 O . ALA A 20 ? 4.29455 41.13290 12.35441 1.000 23.56006 O ? A ? 19 O 1
   ATOM 424 CB . ALA A 20 ? 5.42575 39.23726 14.75706 1.000 27.16139 C ? A ? 19 CB 1
   ATOM 425 HA . ALA A 20 ? 4.08255 40.79544 14.78084 1.000 27.46347 H ? A ? 19 HA 1
   ATOM 426 HB1 . ALA A 20 ? 6.15342 39.75012 14.37187 1.000 32.59447 H ? A ? 19 HB1 1
   ATOM 427 HB2 . ALA A 20 ? 5.51274 39.21360 15.72287 1.000 32.59447 H ? A ? 19 HB2 1
   ATOM 428 HB3 . ALA A 20 ? 5.43310 38.33458 14.40207 1.000 32.59447 H ? A ? 19 HB3 1
   ATOM 429 H A ALA A 20 ? 3.28451 38.40602 15.28665 0.558 34.78402 H ? A ? 19 H 1
   ATOM 430 H B ALA A 20 ? 3.19630 38.36567 15.25594 0.442 34.78402 H ? A ? 19 H 1
   ATOM 431 N . SER A 21 ? 3.48215 39.05712 12.19375 1.000 22.25891 N ? A ? 20 N 1
   ATOM 432 CA . SER A 21 ? 3.28701 39.19959 10.75616 1.000 22.96076 C ? A ? 20 CA 1
   ATOM 433 C . SER A 21 ? 2.17319 40.19797 10.44950 1.000 21.75627 C ? A ? 20 C 1
   ATOM 434 O . SER A 21 ? 2.27821 40.97732 9.49808 1.000 21.51635 O ? A ? 20 O 1
   ATOM 435 CB . SER A 21 ? 2.96828 37.83666 10.15118 1.000 20.66886 C ? A ? 20 CB 1
   ATOM 436 OG . SER A 21 ? 2.67763 37.92257 8.79533 1.000 22.12076 O ? A ? 20 OG 1
   ATOM 437 H . SER A 21 ? 3.26534 38.29074 12.51817 1.000 26.71150 H ? A ? 20 H 1
   ATOM 438 HA . SER A 21 ? 4.10402 39.53094 10.35169 1.000 27.55371 H ? A ? 20 HA 1
   ATOM 439 HB2 . SER A 21 ? 3.73728 37.25712 10.26814 1.000 24.80344 H ? A ? 20 HB2 1
   ATOM 440 HB3 . SER A 21 ? 2.19947 37.46458 10.61095 1.000 24.80344 H ? A ? 20 HB3 1
   ATOM 441 HG . SER A 21 ? 2.82117 38.70295 8.51962 1.000 26.54571 H ? A ? 20 HG 1
   ATOM 442 N . HIS A 22 ? 1.10503 40.16792 11.23531 1.000 19.45659 N ? A ? 21 N 1
   ATOM 443 CA . HIS A 22 ? -0.03235 41.05619 11.00392 1.000 19.29254 C ? A ? 21 CA 1
   ATOM 444 C . HIS A 22 ? 0.28778 42.47973 11.39915 1.000 18.23528 C ? A ? 21 C 1
   ATOM 445 O . HIS A 22 ? -0.30155 43.40233 10.82661 1.000 21.95146 O ? A ? 21 O 1
   ATOM 446 CB . HIS A 22 ? -1.30137 40.45363 11.61265 1.000 22.44929 C ? A ? 21 CB 1
   ATOM 447 CG . HIS A 22 ? -1.85901 39.37295 10.75875 1.000 22.47844 C ? A ? 21 CG 1
   ATOM 448 ND1 . HIS A 22 ? -2.62526 39.61870 9.64220 1.000 21.20823 N ? A ? 21 ND1 1
   ATOM 449 CD2 . HIS A 22 ? -1.65286 38.03733 10.77256 1.000 17.80424 C ? A ? 21 CD2 1
   ATOM 450 CE1 . HIS A 22 ? -2.88667 38.48395 9.02585 1.000 21.10904 C ? A ? 21 CE1 1
   ATOM 451 NE2 . HIS A 22 ? -2.33476 37.50245 9.71540 1.000 18.66060 N ? A ? 21 NE2 1
   ATOM 452 H . HIS A 22 ? 1.00985 39.64384 11.91050 1.000 23.34872 H ? A ? 21 H 1
   ATOM 453 HA . HIS A 22 ? -0.24322 41.12116 10.05935 1.000 23.15185 H ? A ? 21 HA 1
   ATOM 454 HB2 . HIS A 22 ? -1.09203 40.07798 12.48211 1.000 26.93996 H ? A ? 21 HB2 1
   ATOM 455 HB3 . HIS A 22 ? -1.97308 41.14743 11.70400 1.000 26.93996 H ? A ? 21 HB3 1
   ATOM 456 HD1 . HIS A 22 ? -2.89272 40.39482 9.38585 1.000 25.45068 H ? A ? 21 HD1 1
   ATOM 457 HD2 . HIS A 22 ? -1.13991 37.56722 11.38963 1.000 21.36590 H ? A ? 21 HD2 1
   ATOM 458 HE1 . HIS A 22 ? -3.37572 38.39038 8.24037 1.000 25.33165 H ? A ? 21 HE1 1
   ATOM 459 N A PHE A 23 ? 1.23714 42.69130 12.30727 0.510 22.81727 N ? A ? 22 N 1
   ATOM 460 CA A PHE A 23 ? 1.70319 44.04001 12.61807 0.510 20.85319 C ? A ? 22 CA 1
   ATOM 461 C A PHE A 23 ? 2.78507 44.49665 11.64921 0.510 22.25192 C ? A ? 22 C 1
   ATOM 462 O A PHE A 23 ? 2.74927 45.63216 11.15272 0.510 21.07193 O ? A ? 22 O 1
   ATOM 463 CB A PHE A 23 ? 2.20095 44.10876 14.06994 0.510 22.55470 C ? A ? 22 CB 1
   ATOM 464 CG A PHE A 23 ? 2.97256 45.36676 14.39426 0.510 19.15987 C ? A ? 22 CG 1
   ATOM 465 CD1 A PHE A 23 ? 2.31362 46.50961 14.83301 0.510 26.15023 C ? A ? 22 CD1 1
   ATOM 466 CD2 A PHE A 23 ? 4.35569 45.39922 14.28460 0.510 24.05621 C ? A ? 22 CD2 1
   ATOM 467 CE1 A PHE A 23 ? 3.02860 47.65717 15.12801 0.510 18.61892 C ? A ? 22 CE1 1
   ATOM 468 CE2 A PHE A 23 ? 5.06672 46.54793 14.58858 0.510 23.90000 C ? A ? 22 CE2 1
   ATOM 469 CZ A PHE A 23 ? 4.40319 47.67852 15.01298 0.510 25.82866 C ? A ? 22 CZ 1
   ATOM 470 H A PHE A 23 ? 1.62800 42.07173 12.75779 0.510 27.38153 H ? A ? 22 H 1
   ATOM 471 HA A PHE A 23 ? 0.95606 44.65277 12.53311 0.510 25.02464 H ? A ? 22 HA 1
   ATOM 472 HB2 A PHE A 23 ? 1.43487 44.07084 14.66372 0.510 27.06645 H ? A ? 22 HB2 1
   ATOM 473 HB3 A PHE A 23 ? 2.78600 43.35276 14.23451 0.510 27.06645 H ? A ? 22 HB3 1
   ATOM 474 HD1 A PHE A 23 ? 1.38858 46.50289 14.92865 0.510 31.38108 H ? A ? 22 HD1 1
   ATOM 475 HD2 A PHE A 23 ? 4.81131 44.63893 14.00305 0.510 28.86826 H ? A ? 22 HD2 1
   ATOM 476 HE1 A PHE A 23 ? 2.57798 48.42153 15.40656 0.510 22.34351 H ? A ? 22 HE1 1
   ATOM 477 HE2 A PHE A 23 ? 5.99303 46.55634 14.50620 0.510 28.68080 H ? A ? 22 HE2 1
   ATOM 478 HZ A PHE A 23 ? 4.87859 48.45045 15.22040 0.510 30.99520 H ? A ? 22 HZ 1
   ATOM 479 N B PHE A 23 ? 1.12032 42.68390 12.41221 0.490 21.54557 N ? A ? 22 N 1
   ATOM 480 CA B PHE A 23 ? 1.61204 44.02629 12.69280 0.490 22.64245 C ? A ? 22 CA 1
   ATOM 481 C B PHE A 23 ? 2.56115 44.49165 11.59522 0.490 20.59265 C ? A ? 22 C 1
   ATOM 482 O B PHE A 23 ? 2.26049 45.44962 10.86306 0.490 20.21383 O ? A ? 22 O 1
   ATOM 483 CB B PHE A 23 ? 2.23305 44.05791 14.08887 0.490 22.55808 C ? A ? 22 CB 1
   ATOM 484 CG B PHE A 23 ? 2.68390 45.41636 14.51348 0.490 21.55389 C ? A ? 22 CG 1
   ATOM 485 CD1 B PHE A 23 ? 1.76826 46.43008 14.77687 0.490 19.55279 C ? A ? 22 CD1 1
   ATOM 486 CD2 B PHE A 23 ? 4.02621 45.69478 14.63241 0.490 19.28212 C ? A ? 22 CD2 1
   ATOM 487 CE1 B PHE A 23 ? 2.19476 47.68450 15.15957 0.490 19.02198 C ? A ? 22 CE1 1
   ATOM 488 CE2 B PHE A 23 ? 4.46889 46.93533 15.00501 0.490 21.61833 C ? A ? 22 CE2 1
   ATOM 489 CZ B PHE A 23 ? 3.54578 47.92772 15.26793 0.490 20.15699 C ? A ? 22 CZ 1
   ATOM 490 H B PHE A 23 ? 1.41122 42.07341 12.94351 0.490 25.85549 H ? A ? 22 H 1
   ATOM 491 HA B PHE A 23 ? 0.87887 44.66129 12.70431 0.490 27.17175 H ? A ? 22 HA 1
   ATOM 492 HB2 B PHE A 23 ? 1.57415 43.75014 14.73076 0.490 27.07050 H ? A ? 22 HB2 1
   ATOM 493 HB3 B PHE A 23 ? 3.00605 43.47204 14.10011 0.490 27.07050 H ? A ? 22 HB3 1
   ATOM 494 HD1 B PHE A 23 ? 0.85775 46.25981 14.69387 0.490 23.46415 H ? A ? 22 HD1 1
   ATOM 495 HD2 B PHE A 23 ? 4.64670 45.02497 14.45564 0.490 23.13934 H ? A ? 22 HD2 1
   ATOM 496 HE1 B PHE A 23 ? 1.57854 48.35675 15.34191 0.490 22.82718 H ? A ? 22 HE1 1
   ATOM 497 HE2 B PHE A 23 ? 5.37973 47.10746 15.08009 0.490 25.94280 H ? A ? 22 HE2 1
   ATOM 498 HZ B PHE A 23 ? 3.84058 48.77243 15.52181 0.490 24.18920 H ? A ? 22 HZ 1
   ATOM 499 N A GLY A 24 ? 3.76438 43.63030 11.37853 0.510 22.41559 N ? A ? 23 N 1
   ATOM 500 CA A GLY A 24 ? 4.88332 44.02786 10.54812 0.510 20.93828 C ? A ? 23 CA 1
   ATOM 501 C A GLY A 24 ? 4.52766 44.25863 9.09709 0.510 21.08718 C ? A ? 23 C 1
   ATOM 502 O A GLY A 24 ? 5.15610 45.09080 8.42624 0.510 22.86714 O ? A ? 23 O 1
   ATOM 503 H A GLY A 24 ? 3.79812 42.81928 11.66261 0.510 26.89952 H ? A ? 23 H 1
   ATOM 504 HA2 A GLY A 24 ? 5.25646 44.85194 10.89822 0.510 25.12675 H ? A ? 23 HA2 1
   ATOM 505 HA3 A GLY A 24 ? 5.56105 43.33475 10.58227 0.510 25.12675 H ? A ? 23 HA3 1
   ATOM 506 N B GLY A 24 ? 3.66012 43.75592 11.39053 0.490 23.53039 N ? A ? 23 N 1
   ATOM 507 CA B GLY A 24 ? 4.75001 44.26574 10.58004 0.490 21.49349 C ? A ? 23 CA 1
   ATOM 508 C B GLY A 24 ? 4.48609 44.32259 9.08638 0.490 21.18639 C ? A ? 23 C 1
   ATOM 509 O B GLY A 24 ? 5.16225 45.07212 8.36579 0.490 22.91132 O ? A ? 23 O 1
   ATOM 510 H B GLY A 24 ? 3.79099 42.96801 11.70938 0.490 28.23727 H ? A ? 23 H 1
   ATOM 511 HA2 B GLY A 24 ? 4.95772 45.16637 10.87435 0.490 25.79299 H ? A ? 23 HA2 1
   ATOM 512 HA3 B GLY A 24 ? 5.52676 43.70137 10.71804 0.490 25.79299 H ? A ? 23 HA3 1
   ATOM 513 N . ARG A 25 ? 3.54021 43.52760 8.58932 1.000 23.40828 N ? A ? 24 N 1
   ATOM 514 CA . ARG A 25 ? 3.15826 43.66216 7.18901 1.000 20.28209 C ? A ? 24 CA 1
   ATOM 515 C . ARG A 25 ? 2.58231 45.04599 6.86596 1.000 19.45021 C ? A ? 24 C 1
   ATOM 516 O . ARG A 25 ? 2.41709 45.36749 5.68532 1.000 24.03150 O ? A ? 24 O 1
   ATOM 517 CB . ARG A 25 ? 2.15638 42.55503 6.81145 1.000 23.18084 C ? A ? 24 CB 1
   ATOM 518 CG . ARG A 25 ? 0.77360 42.76416 7.37332 1.000 21.27236 C ? A ? 24 CG 1
   ATOM 519 CD . ARG A 25 ? -0.17941 41.66640 6.93085 1.000 24.23067 C ? A ? 24 CD 1
   ATOM 520 NE . ARG A 25 ? 0.32792 40.33284 7.23284 1.000 20.22291 N ? A ? 24 NE 1
   ATOM 521 CZ . ARG A 25 ? -0.17792 39.22470 6.71275 1.000 22.88715 C ? A ? 24 CZ 1
   ATOM 522 NH1 . ARG A 25 ? -1.15825 39.25615 5.82694 1.000 21.85672 N ? A ? 24 NH1 1
   ATOM 523 NH2 . ARG A 25 ? 0.32819 38.05850 7.07345 1.000 22.03375 N ? A ? 24 NH2 1
   ATOM 524 HA . ARG A 25 ? 3.94461 43.54259 6.63380 1.000 24.33931 H ? A ? 24 HA 1
   ATOM 525 HB2 . ARG A 25 ? 2.08044 42.52054 5.84505 1.000 27.81782 H ? A ? 24 HB2 1
   ATOM 526 HB3 . ARG A 25 ? 2.48724 41.70785 7.14868 1.000 27.81782 H ? A ? 24 HB3 1
   ATOM 527 HG2 . ARG A 25 ? 0.81631 42.75843 8.34236 1.000 25.52764 H ? A ? 24 HG2 1
   ATOM 528 HG3 . ARG A 25 ? 0.42531 43.61411 7.06161 1.000 25.52764 H ? A ? 24 HG3 1
   ATOM 529 HD2 . ARG A 25 ? -1.02653 41.77732 7.39018 1.000 29.07760 H ? A ? 24 HD2 1
   ATOM 530 HD3 . ARG A 25 ? -0.31142 41.72818 5.97186 1.000 29.07760 H ? A ? 24 HD3 1
   ATOM 531 HE . ARG A 25 ? 0.99010 40.26229 7.77703 1.000 24.26829 H ? A ? 24 HE 1
   ATOM 532 HH11 . ARG A 25 ? -1.48481 40.01031 5.57356 1.000 26.22887 H ? A ? 24 HH11 1
   ATOM 533 HH12 . ARG A 25 ? -1.46961 38.52245 5.50392 1.000 26.22887 H ? A ? 24 HH12 1
   ATOM 534 HH21 . ARG A 25 ? 0.97625 38.02708 7.63792 1.000 26.44131 H ? A ? 24 HH21 1
   ATOM 535 HH22 . ARG A 25 ? 0.00950 37.33096 6.74371 1.000 26.44131 H ? A ? 24 HH22 1
   ATOM 536 H A ARG A 25 ? 3.07952 42.95127 9.03113 0.510 28.09074 H ? A ? 24 H 1
   ATOM 537 H B ARG A 25 ? 3.11814 42.92138 9.02971 0.490 28.09074 H ? A ? 24 H 1
   ATOM 538 N . MET A 26 ? 2.25589 45.85054 7.87262 1.000 21.08632 N ? A ? 25 N 1
   ATOM 539 CA . MET A 26 ? 1.72386 47.18941 7.64853 1.000 22.06762 C ? A ? 25 CA 1
   ATOM 540 C . MET A 26 ? 2.81135 48.23383 7.58895 1.000 20.41877 C ? A ? 25 C 1
   ATOM 541 O . MET A 26 ? 2.53440 49.40433 7.25781 1.000 23.05352 O ? A ? 25 O 1
   ATOM 542 CB . MET A 26 ? 0.71796 47.53875 8.73672 1.000 20.75346 C ? A ? 25 CB 1
   ATOM 543 CG . MET A 26 ? -0.54990 46.71328 8.65981 1.000 21.72540 C ? A ? 25 CG 1
   ATOM 544 SD . MET A 26 ? -1.83786 47.30873 9.80831 1.000 21.07731 S ? A ? 25 SD 1
   ATOM 545 CE . MET A 26 ? -1.10583 46.73971 11.31517 1.000 26.83269 C ? A ? 25 CE 1
   ATOM 546 H . MET A 26 ? 2.33433 45.64135 8.70310 1.000 25.30439 H ? A ? 25 H 1
   ATOM 547 HA . MET A 26 ? 1.24183 47.20471 6.80692 1.000 26.48195 H ? A ? 25 HA 1
   ATOM 548 HB2 . MET A 26 ? 1.12485 47.38199 9.60319 1.000 24.90496 H ? A ? 25 HB2 1
   ATOM 549 HB3 . MET A 26 ? 0.47230 48.47308 8.64971 1.000 24.90496 H ? A ? 25 HB3 1
   ATOM 550 HG2 . MET A 26 ? -0.90487 46.75982 7.75830 1.000 26.07129 H ? A ? 25 HG2 1
   ATOM 551 HG3 . MET A 26 ? -0.34413 45.79329 8.88825 1.000 26.07129 H ? A ? 25 HG3 1
   ATOM 552 HE1 . MET A 26 ? -1.71134 46.92481 12.05002 1.000 32.20004 H ? A ? 25 HE1 1
   ATOM 553 HE2 . MET A 26 ? -0.94828 45.78489 11.24888 1.000 32.20004 H ? A ? 25 HE2 1
   ATOM 554 HE3 . MET A 26 ? -0.26588 47.20473 11.45352 1.000 32.20004 H ? A ? 25 HE3 1
   ATOM 555 N . THR A 27 ? 4.04530 47.86691 7.91034 1.000 23.65783 N ? A ? 26 N 1
   ATOM 556 CA . THR A 27 ? 5.10189 48.87253 7.96256 1.000 23.98038 C ? A ? 26 CA 1
   ATOM 557 C . THR A 27 ? 5.25905 49.61889 6.64088 1.000 21.66448 C ? A ? 26 C 1
   ATOM 558 O . THR A 27 ? 5.39788 50.86162 6.66436 1.000 24.28488 O ? A ? 26 O 1
   ATOM 559 CB . THR A 27 ? 6.43667 48.25136 8.38107 1.000 23.50645 C ? A ? 26 CB 1
   ATOM 560 OG1 . THR A 27 ? 6.32738 47.71919 9.70243 1.000 26.90231 O ? A ? 26 OG1 1
   ATOM 561 CG2 . THR A 27 ? 7.55001 49.28387 8.33565 1.000 30.93012 C ? A ? 26 CG2 1
   ATOM 562 H . THR A 27 ? 4.29305 47.06501 8.09789 1.000 28.39020 H ? A ? 26 H 1
   ATOM 563 HA . THR A 27 ? 4.84103 49.50304 8.65199 1.000 28.77727 H ? A ? 26 HA 1
   ATOM 564 HB . THR A 27 ? 6.66509 47.53659 7.76639 1.000 28.20855 H ? A ? 26 HB 1
   ATOM 565 HG1 . THR A 27 ? 5.74312 47.11599 9.72181 1.000 32.28358 H ? A ? 26 HG1 1
   ATOM 566 HG21 . THR A 27 ? 8.33736 48.94289 8.78810 1.000 37.11695 H ? A ? 26 HG21 1
   ATOM 567 HG22 . THR A 27 ? 7.77854 49.48505 7.41468 1.000 37.11695 H ? A ? 26 HG22 1
   ATOM 568 HG23 . THR A 27 ? 7.26356 50.10016 8.77443 1.000 37.11695 H ? A ? 26 HG23 1
   ATOM 569 N . PRO A 28 ? 5.29145 48.96348 5.47490 1.000 21.37865 N ? A ? 27 N 1
   ATOM 570 CA . PRO A 28 ? 5.41917 49.72489 4.22027 1.000 25.69981 C ? A ? 27 CA 1
   ATOM 571 C . PRO A 28 ? 4.26337 50.69497 4.00407 1.000 22.58664 C ? A ? 27 C 1
   ATOM 572 O . PRO A 28 ? 4.45529 51.74751 3.36989 1.000 20.13588 O ? A ? 27 O 1
   ATOM 573 CB . PRO A 28 ? 5.49169 48.63840 3.13543 1.000 23.74762 C ? A ? 27 CB 1
   ATOM 574 CG . PRO A 28 ? 5.92226 47.38138 3.87414 1.000 24.93647 C ? A ? 27 CG 1
   ATOM 575 CD . PRO A 28 ? 5.27235 47.50296 5.23671 1.000 22.84724 C ? A ? 27 CD 1
   ATOM 576 HA . PRO A 28 ? 6.25658 50.21421 4.20559 1.000 30.84058 H ? A ? 27 HA 1
   ATOM 577 HB2 . PRO A 28 ? 4.62014 48.52031 2.72634 1.000 28.49795 H ? A ? 27 HB2 1
   ATOM 578 HB3 . PRO A 28 ? 6.14367 48.88649 2.46143 1.000 28.49795 H ? A ? 27 HB3 1
   ATOM 579 HG2 . PRO A 28 ? 5.60422 46.59416 3.40507 1.000 29.92457 H ? A ? 27 HG2 1
   ATOM 580 HG3 . PRO A 28 ? 6.88891 47.35445 3.94999 1.000 29.92457 H ? A ? 27 HG3 1
   ATOM 581 HD2 . PRO A 28 ? 4.36322 47.16519 5.21979 1.000 27.41750 H ? A ? 27 HD2 1
   ATOM 582 HD3 . PRO A 28 ? 5.78807 47.03381 5.91113 1.000 27.41750 H ? A ? 27 HD3 1
   ATOM 583 N A VAL A 29 ? 3.07306 50.38215 4.51936 0.384 22.09326 N ? A ? 28 N 1
   ATOM 584 CA A VAL A 29 ? 1.93111 51.26715 4.33023 0.384 21.82080 C ? A ? 28 CA 1
   ATOM 585 C A VAL A 29 ? 2.07626 52.51670 5.18748 0.384 26.77989 C ? A ? 28 C 1
   ATOM 586 O A VAL A 29 ? 1.90627 53.64273 4.70051 0.384 23.00608 O ? A ? 28 O 1
   ATOM 587 CB A VAL A 29 ? 0.61757 50.51837 4.60961 0.384 20.63233 C ? A ? 28 CB 1
   ATOM 588 CG1 A VAL A 29 ? -0.56930 51.47790 4.51408 0.384 21.48867 C ? A ? 28 CG1 1
   ATOM 589 CG2 A VAL A 29 ? 0.43424 49.35844 3.63277 0.384 22.23210 C ? A ? 28 CG2 1
   ATOM 590 H A VAL A 29 ? 2.90524 49.67278 4.97568 0.384 26.51272 H ? A ? 28 H 1
   ATOM 591 HA A VAL A 29 ? 1.91115 51.55292 3.40350 0.384 26.18576 H ? A ? 28 HA 1
   ATOM 592 HB A VAL A 29 ? 0.65413 50.15448 5.50802 0.384 24.75960 H ? A ? 28 HB 1
   ATOM 593 HG11 A VAL A 29 ? -1.38983 50.96219 4.47316 0.384 25.78721 H ? A ? 28 HG11 1
   ATOM 594 HG12 A VAL A 29 ? -0.57682 52.04987 5.29746 0.384 25.78721 H ? A ? 28 HG12 1
   ATOM 595 HG13 A VAL A 29 ? -0.47655 52.01610 3.71243 0.384 25.78721 H ? A ? 28 HG13 1
   ATOM 596 HG21 A VAL A 29 ? -0.42379 48.93783 3.79943 0.384 26.67933 H ? A ? 28 HG21 1
   ATOM 597 HG22 A VAL A 29 ? 0.46385 49.70156 2.72596 0.384 26.67933 H ? A ? 28 HG22 1
   ATOM 598 HG23 A VAL A 29 ? 1.14894 48.71652 3.76705 0.384 26.67933 H ? A ? 28 HG23 1
   ATOM 599 N B VAL A 29 ? 3.06790 50.37972 4.51078 0.616 22.06356 N ? A ? 28 N 1
   ATOM 600 CA B VAL A 29 ? 1.94527 51.29976 4.38638 0.616 21.57077 C ? A ? 28 CA 1
   ATOM 601 C B VAL A 29 ? 2.14686 52.50794 5.28435 0.616 26.68668 C ? A ? 28 C 1
   ATOM 602 O B VAL A 29 ? 1.86196 53.64769 4.89015 0.616 23.64133 O ? A ? 28 O 1
   ATOM 603 CB B VAL A 29 ? 0.62928 50.57543 4.71104 0.616 20.83465 C ? A ? 28 CB 1
   ATOM 604 CG1 B VAL A 29 ? -0.53009 51.58886 4.75748 0.616 20.85214 C ? A ? 28 CG1 1
   ATOM 605 CG2 B VAL A 29 ? 0.35140 49.45115 3.72479 0.616 20.90055 C ? A ? 28 CG2 1
   ATOM 606 H B VAL A 29 ? 2.88654 49.64824 4.92509 0.616 26.47708 H ? A ? 28 H 1
   ATOM 607 HA B VAL A 29 ? 1.90269 51.61088 3.46861 0.616 25.88572 H ? A ? 28 HA 1
   ATOM 608 HB B VAL A 29 ? 0.70617 50.16176 5.58504 0.616 25.00239 H ? A ? 28 HB 1
   ATOM 609 HG11 B VAL A 29 ? -1.37162 51.10646 4.75218 0.616 25.02337 H ? A ? 28 HG11 1
   ATOM 610 HG12 B VAL A 29 ? -0.45625 52.11625 5.56822 0.616 25.02337 H ? A ? 28 HG12 1
   ATOM 611 HG13 B VAL A 29 ? -0.47539 52.16710 3.98060 0.616 25.02337 H ? A ? 28 HG13 1
   ATOM 612 HG21 B VAL A 29 ? -0.50062 49.04244 3.94368 0.616 25.08147 H ? A ? 28 HG21 1
   ATOM 613 HG22 B VAL A 29 ? 0.32128 49.81843 2.82752 0.616 25.08147 H ? A ? 28 HG22 1
   ATOM 614 HG23 B VAL A 29 ? 1.06047 48.79236 3.78891 0.616 25.08147 H ? A ? 28 HG23 1
   ATOM 615 N A VAL A 30 ? 2.38837 52.34231 6.47486 0.384 24.46423 N ? A ? 29 N 1
   ATOM 616 CA A VAL A 30 ? 2.52609 53.49973 7.34954 0.384 24.98389 C ? A ? 29 CA 1
   ATOM 617 C A VAL A 30 ? 3.75314 54.33526 6.99484 0.384 28.96920 C ? A ? 29 C 1
   ATOM 618 O A VAL A 30 ? 3.84362 55.49414 7.42014 0.384 27.32922 O ? A ? 29 O 1
   ATOM 619 CB A VAL A 30 ? 2.55818 53.07294 8.83091 0.384 21.44648 C ? A ? 29 CB 1
   ATOM 620 CG1 A VAL A 30 ? 1.23360 52.44447 9.25163 0.384 23.86561 C ? A ? 29 CG1 1
   ATOM 621 CG2 A VAL A 30 ? 3.69693 52.10667 9.07717 0.384 24.65598 C ? A ? 29 CG2 1
   ATOM 622 H A VAL A 30 ? 2.52153 51.58180 6.85367 0.384 29.35789 H ? A ? 29 H 1
   ATOM 623 HA A VAL A 30 ? 1.74323 54.05875 7.22492 0.384 29.98147 H ? A ? 29 HA 1
   ATOM 624 HB A VAL A 30 ? 2.69877 53.86469 9.37336 0.384 25.73658 H ? A ? 29 HB 1
   ATOM 625 HG11 A VAL A 30 ? 1.28199 52.20435 10.19019 0.384 28.63954 H ? A ? 29 HG11 1
   ATOM 626 HG12 A VAL A 30 ? 0.52049 53.08677 9.11086 0.384 28.63954 H ? A ? 29 HG12 1
   ATOM 627 HG13 A VAL A 30 ? 1.07559 51.65192 8.71516 0.384 28.63954 H ? A ? 29 HG13 1
   ATOM 628 HG21 A VAL A 30 ? 3.75729 51.92550 10.02819 0.384 29.58798 H ? A ? 29 HG21 1
   ATOM 629 HG22 A VAL A 30 ? 3.52288 51.28374 8.59407 0.384 29.58798 H ? A ? 29 HG22 1
   ATOM 630 HG23 A VAL A 30 ? 4.52337 52.50597 8.76340 0.384 29.58798 H ? A ? 29 HG23 1
   ATOM 631 N B VAL A 30 ? 2.61886 52.28082 6.50949 0.616 21.84185 N ? A ? 29 N 1
   ATOM 632 CA B VAL A 30 ? 2.86546 53.38612 7.42670 0.616 27.08962 C ? A ? 29 CA 1
   ATOM 633 C B VAL A 30 ? 3.91601 54.32265 6.84977 0.616 27.20903 C ? A ? 29 C 1
   ATOM 634 O B VAL A 30 ? 3.77814 55.55341 6.92442 0.616 27.69149 O ? A ? 29 O 1
   ATOM 635 CB B VAL A 30 ? 3.24718 52.82843 8.80939 0.616 25.85544 C ? A ? 29 CB 1
   ATOM 636 CG1 B VAL A 30 ? 3.74579 53.93021 9.72110 0.616 29.45758 C ? A ? 29 CG1 1
   ATOM 637 CG2 B VAL A 30 ? 2.04223 52.11011 9.41680 0.616 27.07483 C ? A ? 29 CG2 1
   ATOM 638 H B VAL A 30 ? 2.80217 51.50385 6.82937 0.616 26.21103 H ? A ? 29 H 1
   ATOM 639 HA B VAL A 30 ? 2.05603 53.90906 7.53745 0.616 32.50835 H ? A ? 29 HA 1
   ATOM 640 HB B VAL A 30 ? 3.97237 52.19156 8.71242 0.616 31.02733 H ? A ? 29 HB 1
   ATOM 641 HG11 B VAL A 30 ? 3.96749 53.54905 10.58508 0.616 35.34991 H ? A ? 29 HG11 1
   ATOM 642 HG12 B VAL A 30 ? 4.53393 54.33465 9.32592 0.616 35.34991 H ? A ? 29 HG12 1
   ATOM 643 HG13 B VAL A 30 ? 3.04785 54.59615 9.82262 0.616 35.34991 H ? A ? 29 HG13 1
   ATOM 644 HG21 B VAL A 30 ? 2.29616 51.73877 10.27618 0.616 32.49060 H ? A ? 29 HG21 1
   ATOM 645 HG22 B VAL A 30 ? 1.31993 52.74720 9.53215 0.616 32.49060 H ? A ? 29 HG22 1
   ATOM 646 HG23 B VAL A 30 ? 1.76381 51.39916 8.81852 0.616 32.49060 H ? A ? 29 HG23 1
   ATOM 647 N A LYS A 31 ? 4.71110 53.77975 6.24067 0.384 26.75289 N ? A ? 30 N 1
   ATOM 648 CA A LYS A 31 ? 5.82774 54.56824 5.72802 0.384 28.94379 C ? A ? 30 CA 1
   ATOM 649 C A LYS A 31 ? 5.48644 55.25299 4.41102 0.384 24.32588 C ? A ? 30 C 1
   ATOM 650 O A LYS A 31 ? 6.15894 56.22003 4.03572 0.384 26.15263 O ? A ? 30 O 1
   ATOM 651 CB A LYS A 31 ? 7.05988 53.67406 5.54600 0.384 30.63840 C ? A ? 30 CB 1
   ATOM 652 CG A LYS A 31 ? 7.60830 53.11630 6.85888 0.384 30.18456 C ? A ? 30 CG 1
   ATOM 653 CD A LYS A 31 ? 8.79101 52.16133 6.64705 0.384 28.27748 C ? A ? 30 CD 1
   ATOM 654 CE A LYS A 31 ? 8.40935 51.05799 5.65660 0.384 35.42698 C ? A ? 30 CE 1
   ATOM 655 NZ A LYS A 31 ? 9.28355 49.87067 5.64363 0.384 35.48283 N ? A ? 30 NZ 1
   ATOM 656 H A LYS A 31 ? 4.73331 52.95024 6.01479 0.384 32.10427 H ? A ? 30 H 1
   ATOM 657 HA A LYS A 31 ? 6.05656 55.25532 6.37336 0.384 34.73336 H ? A ? 30 HA 1
   ATOM 658 HB2 A LYS A 31 ? 6.82032 52.92282 4.98108 0.384 36.76688 H ? A ? 30 HB2 1
   ATOM 659 HB3 A LYS A 31 ? 7.76381 54.19327 5.12670 0.384 36.76688 H ? A ? 30 HB3 1
   ATOM 660 HG2 A LYS A 31 ? 7.91225 53.85190 7.41333 0.384 36.22228 H ? A ? 30 HG2 1
   ATOM 661 HG3 A LYS A 31 ? 6.90510 52.62671 7.31353 0.384 36.22228 H ? A ? 30 HG3 1
   ATOM 662 HD2 A LYS A 31 ? 9.54662 52.65249 6.28829 0.384 33.93379 H ? A ? 30 HD2 1
   ATOM 663 HD3 A LYS A 31 ? 9.03340 51.74999 7.49141 0.384 33.93379 H ? A ? 30 HD3 1
   ATOM 664 HE2 A LYS A 31 ? 7.51467 50.75186 5.87275 0.384 42.51318 H ? A ? 30 HE2 1
   ATOM 665 HE3 A LYS A 31 ? 8.42443 51.43383 4.76249 0.384 42.51318 H ? A ? 30 HE3 1
   ATOM 666 HZ1 A LYS A 31 ? 8.90716 49.22074 5.16610 0.384 42.58020 H ? A ? 30 HZ1 1
   ATOM 667 HZ2 A LYS A 31 ? 10.07050 50.07602 5.28219 0.384 42.58020 H ? A ? 30 HZ2 1
   ATOM 668 HZ3 A LYS A 31 ? 9.41440 49.57991 6.47455 0.384 42.58020 H ? A ? 30 HZ3 1
   ATOM 669 N B LYS A 31 ? 4.96739 53.76305 6.24929 0.616 23.31239 N ? A ? 30 N 1
   ATOM 670 CA B LYS A 31 ? 6.00568 54.57189 5.62855 0.616 26.95034 C ? A ? 30 CA 1
   ATOM 671 C B LYS A 31 ? 5.63419 55.09082 4.24116 0.616 27.09302 C ? A ? 30 C 1
   ATOM 672 O B LYS A 31 ? 6.45166 55.79034 3.63141 0.616 26.88171 O ? A ? 30 O 1
   ATOM 673 CB B LYS A 31 ? 7.30264 53.76983 5.53561 0.616 28.49913 C ? A ? 30 CB 1
   ATOM 674 CG B LYS A 31 ? 7.89420 53.39512 6.87544 0.616 29.27646 C ? A ? 30 CG 1
   ATOM 675 CD B LYS A 31 ? 9.20952 52.66347 6.70476 0.616 37.22079 C ? A ? 30 CD 1
   ATOM 676 CE B LYS A 31 ? 9.86861 52.37572 8.03993 0.616 33.68741 C ? A ? 30 CE 1
   ATOM 677 NZ B LYS A 31 ? 11.20660 51.73019 7.85302 0.616 47.54107 N ? A ? 30 NZ 1
   ATOM 678 H B LYS A 31 ? 5.09856 52.91516 6.19021 0.616 27.97567 H ? A ? 30 H 1
   ATOM 679 HA B LYS A 31 ? 6.16021 55.34446 6.19436 0.616 32.34122 H ? A ? 30 HA 1
   ATOM 680 HB2 B LYS A 31 ? 7.12549 52.94813 5.05154 0.616 34.19976 H ? A ? 30 HB2 1
   ATOM 681 HB3 B LYS A 31 ? 7.96176 54.29942 5.06023 0.616 34.19976 H ? A ? 30 HB3 1
   ATOM 682 HG2 B LYS A 31 ? 8.05556 54.19920 7.39343 0.616 35.13255 H ? A ? 30 HG2 1
   ATOM 683 HG3 B LYS A 31 ? 7.27895 52.81346 7.34876 0.616 35.13255 H ? A ? 30 HG3 1
   ATOM 684 HD2 B LYS A 31 ? 9.05034 51.81841 6.25594 0.616 44.66576 H ? A ? 30 HD2 1
   ATOM 685 HD3 B LYS A 31 ? 9.81426 53.20976 6.17869 0.616 44.66576 H ? A ? 30 HD3 1
   ATOM 686 HE2 B LYS A 31 ? 9.99413 53.20714 8.52354 0.616 40.42569 H ? A ? 30 HE2 1
   ATOM 687 HE3 B LYS A 31 ? 9.30716 51.77447 8.55390 0.616 40.42569 H ? A ? 30 HE3 1
   ATOM 688 HZ1 B LYS A 31 ? 11.56908 51.54622 8.64477 0.616 57.05008 H ? A ? 30 HZ1 1
   ATOM 689 HZ2 B LYS A 31 ? 11.11788 50.97341 7.39312 0.616 57.05008 H ? A ? 30 HZ2 1
   ATOM 690 HZ3 B LYS A 31 ? 11.74889 52.27723 7.40718 0.616 57.05008 H ? A ? 30 HZ3 1
   ATOM 691 N . GLY A 32 ? 4.44321 54.79437 3.72116 1.000 22.93624 N ? A ? 31 N 1
   ATOM 692 CA . GLY A 32 ? 4.09972 55.30740 2.41194 1.000 24.58827 C ? A ? 31 CA 1
   ATOM 693 C . GLY A 32 ? 4.76591 54.63228 1.23683 1.000 22.65111 C ? A ? 31 C 1
   ATOM 694 O . GLY A 32 ? 4.55219 55.04659 0.09978 1.000 21.26254 O ? A ? 31 O 1
   ATOM 695 HA2 . GLY A 32 ? 3.14116 55.22025 2.29161 1.000 29.50673 H ? A ? 31 HA2 1
   ATOM 696 HA3 . GLY A 32 ? 4.33785 56.24718 2.38005 1.000 29.50673 H ? A ? 31 HA3 1
   ATOM 697 H A GLY A 32 ? 3.91462 54.17612 4.00037 0.384 27.52429 H ? A ? 31 H 1
   ATOM 698 H B GLY A 32 ? 3.84011 54.31254 4.10025 0.616 27.52429 H ? A ? 31 H 1
   ATOM 699 N . GLN A 33 ? 5.54933 53.58519 1.46424 1.000 23.50281 N ? A ? 32 N 1
   ATOM 700 CA . GLN A 33 ? 6.16950 52.79429 0.39781 1.000 24.99063 C ? A ? 32 CA 1
   ATOM 701 C . GLN A 33 ? 5.19977 51.83267 -0.27340 1.000 20.27392 C ? A ? 32 C 1
   ATOM 702 O . GLN A 33 ? 5.46175 51.37585 -1.38269 1.000 23.12710 O ? A ? 32 O 1
   ATOM 703 CB . GLN A 33 ? 7.38212 52.06806 0.97526 1.000 27.23346 C ? A ? 32 CB 1
   ATOM 704 CG . GLN A 33 ? 8.45117 53.05997 1.45489 1.000 34.84308 C ? A ? 32 CG 1
   ATOM 705 CD . GLN A 33 ? 9.50439 52.45216 2.35921 1.000 42.13450 C ? A ? 32 CD 1
   ATOM 706 OE1 . GLN A 33 ? 9.71393 51.26167 2.36274 1.000 52.98839 O ? A ? 32 OE1 1
   ATOM 707 NE2 . GLN A 33 ? 10.19734 53.28689 3.09751 1.000 57.59202 N ? A ? 32 NE2 1
   ATOM 708 H . GLN A 33 ? 5.74674 53.29910 2.25086 1.000 28.20418 H ? A ? 32 H 1
   ATOM 709 HA . GLN A 33 ? 6.48613 53.37627 -0.31066 1.000 29.98956 H ? A ? 32 HA 1
   ATOM 710 HB2 . GLN A 33 ? 7.10321 51.52873 1.73173 1.000 32.68096 H ? A ? 32 HB2 1
   ATOM 711 HB3 . GLN A 33 ? 7.77364 51.50273 0.29115 1.000 32.68096 H ? A ? 32 HB3 1
   ATOM 712 HG2 . GLN A 33 ? 8.90548 53.42531 0.67962 1.000 41.81250 H ? A ? 32 HG2 1
   ATOM 713 HG3 . GLN A 33 ? 8.01481 53.77124 1.94945 1.000 41.81250 H ? A ? 32 HG3 1
   ATOM 714 HE21 . GLN A 33 ? 10.04241 54.13161 3.05217 1.000 69.11122 H ? A ? 32 HE21 1
   ATOM 715 HE22 . GLN A 33 ? 10.80639 52.98923 3.62671 1.000 69.11122 H ? A ? 32 HE22 1
   ATOM 716 N . ALA A 34 ? 4.07089 51.56978 0.34709 1.000 21.98004 N ? A ? 33 N 1
   ATOM 717 CA . ALA A 34 ? 2.92816 50.88713 -0.24618 1.000 18.20468 C ? A ? 33 CA 1
   ATOM 718 C . ALA A 34 ? 1.65522 51.70387 -0.08861 1.000 23.28512 C ? A ? 33 C 1
   ATOM 719 O . ALA A 34 ? 1.53948 52.47894 0.85644 1.000 22.03619 O ? A ? 33 O 1
   ATOM 720 CB . ALA A 34 ? 2.75461 49.49478 0.37929 1.000 22.69581 C ? A ? 33 CB 1
   ATOM 721 H . ALA A 34 ? 3.92791 51.78905 1.16628 1.000 26.37686 H ? A ? 33 H 1
   ATOM 722 HA . ALA A 34 ? 3.07586 50.77893 -1.19875 1.000 21.84642 H ? A ? 33 HA 1
   ATOM 723 HB1 . ALA A 34 ? 2.00893 49.04660 -0.04966 1.000 27.23578 H ? A ? 33 HB1 1
   ATOM 724 HB2 . ALA A 34 ? 3.56866 48.98464 0.24518 1.000 27.23578 H ? A ? 33 HB2 1
   ATOM 725 HB3 . ALA A 34 ? 2.57922 49.59443 1.32808 1.000 27.23578 H ? A ? 33 HB3 1
   ATOM 726 N . PRO A 35 ? 0.66953 51.52532 -0.97098 1.000 21.52909 N ? A ? 34 N 1
   ATOM 727 CA . PRO A 35 ? -0.51996 52.36472 -0.91209 1.000 20.60674 C ? A ? 34 CA 1
   ATOM 728 C . PRO A 35 ? -1.33075 52.05130 0.32217 1.000 20.91228 C ? A ? 34 C 1
   ATOM 729 O . PRO A 35 ? -1.28074 50.94204 0.88416 1.000 20.17011 O ? A ? 34 O 1
   ATOM 730 CB . PRO A 35 ? -1.26430 52.01285 -2.20523 1.000 23.04433 C ? A ? 34 CB 1
   ATOM 731 CG . PRO A 35 ? -0.76359 50.70119 -2.61245 1.000 26.01826 C ? A ? 34 CG 1
   ATOM 732 CD . PRO A 35 ? 0.66134 50.63798 -2.13963 1.000 19.83564 C ? A ? 34 CD 1
   ATOM 733 HA . PRO A 35 ? -0.30114 53.30962 -0.92561 1.000 24.72889 H ? A ? 34 HA 1
   ATOM 734 HB2 . PRO A 35 ? -2.21836 51.97839 -2.03352 1.000 27.65400 H ? A ? 34 HB2 1
   ATOM 735 HB3 . PRO A 35 ? -1.07314 52.67944 -2.88347 1.000 27.65400 H ? A ? 34 HB3 1
   ATOM 736 HG2 . PRO A 35 ? -1.29472 50.00483 -2.19546 1.000 31.22272 H ? A ? 34 HG2 1
   ATOM 737 HG3 . PRO A 35 ? -0.80871 50.61957 -3.57796 1.000 31.22272 H ? A ? 34 HG3 1
   ATOM 738 HD2 . PRO A 35 ? 0.90138 49.73267 -1.88726 1.000 23.80357 H ? A ? 34 HD2 1
   ATOM 739 HD3 . PRO A 35 ? 1.26684 50.96317 -2.82413 1.000 23.80357 H ? A ? 34 HD3 1
   ATOM 740 N A TYR A 36 ? -2.14359 53.02670 0.70244 0.974 21.30779 N ? A ? 35 N 1
   ATOM 741 CA A TYR A 36 ? -3.02412 52.92671 1.85578 0.974 22.10571 C ? A ? 35 CA 1
   ATOM 742 C A TYR A 36 ? -4.44393 52.68705 1.36063 0.974 23.51248 C ? A ? 35 C 1
   ATOM 743 O A TYR A 36 ? -5.06289 53.55921 0.73925 0.974 23.09997 O ? A ? 35 O 1
   ATOM 744 CB A TYR A 36 ? -2.93747 54.17524 2.72246 0.974 23.87214 C ? A ? 35 CB 1
   ATOM 745 CG A TYR A 36 ? -3.93268 54.18731 3.83478 0.974 20.50105 C ? A ? 35 CG 1
   ATOM 746 CD1 A TYR A 36 ? -4.06517 53.10913 4.70074 0.974 22.22243 C ? A ? 35 CD1 1
   ATOM 747 CD2 A TYR A 36 ? -4.79565 55.26469 4.01936 0.974 23.84746 C ? A ? 35 CD2 1
   ATOM 748 CE1 A TYR A 36 ? -5.00385 53.09565 5.71861 0.974 23.10663 C ? A ? 35 CE1 1
   ATOM 749 CE2 A TYR A 36 ? -5.72678 55.27694 5.03651 0.974 24.28822 C ? A ? 35 CE2 1
   ATOM 750 CZ A TYR A 36 ? -5.84855 54.18369 5.89038 0.974 22.76996 C ? A ? 35 CZ 1
   ATOM 751 OH A TYR A 36 ? -6.80173 54.20563 6.87669 0.974 21.58397 O ? A ? 35 OH 1
   ATOM 752 H A TYR A 36 ? -2.20461 53.78120 0.29427 0.974 25.57016 H ? A ? 35 H 1
   ATOM 753 HA A TYR A 36 ? -2.75811 52.16810 2.39859 0.974 26.52765 H ? A ? 35 HA 1
   ATOM 754 HB2 A TYR A 36 ? -2.05136 54.22517 3.11390 0.974 28.64737 H ? A ? 35 HB2 1
   ATOM 755 HB3 A TYR A 36 ? -3.09965 54.95449 2.16806 0.974 28.64737 H ? A ? 35 HB3 1
   ATOM 756 HD1 A TYR A 36 ? -3.50614 52.37368 4.59351 0.974 26.66772 H ? A ? 35 HD1 1
   ATOM 757 HD2 A TYR A 36 ? -4.74275 55.99284 3.44325 0.974 28.61776 H ? A ? 35 HD2 1
   ATOM 758 HE1 A TYR A 36 ? -5.06811 52.36067 6.28481 0.974 27.72876 H ? A ? 35 HE1 1
   ATOM 759 HE2 A TYR A 36 ? -6.27578 56.01856 5.15270 0.974 29.14667 H ? A ? 35 HE2 1
   ATOM 760 HH A TYR A 36 ? -6.56544 53.71409 7.51557 0.974 25.90157 H ? A ? 35 HH 1
   ATOM 761 N B TYR A 36 ? -2.14572 53.02768 0.69979 0.026 21.53280 N ? A ? 35 N 1
   ATOM 762 CA B TYR A 36 ? -3.00901 52.92803 1.86391 0.026 22.15180 C ? A ? 35 CA 1
   ATOM 763 C B TYR A 36 ? -4.44418 52.71839 1.39835 0.026 23.67315 C ? A ? 35 C 1
   ATOM 764 O B TYR A 36 ? -5.06553 53.63038 0.84291 0.026 23.27726 O ? A ? 35 O 1
   ATOM 765 CB B TYR A 36 ? -2.88872 54.18682 2.71351 0.026 23.99579 C ? A ? 35 CB 1
   ATOM 766 CG B TYR A 36 ? -4.02146 54.33180 3.68132 0.026 22.25589 C ? A ? 35 CG 1
   ATOM 767 CD1 B TYR A 36 ? -4.18252 53.42329 4.71154 0.026 22.82332 C ? A ? 35 CD1 1
   ATOM 768 CD2 B TYR A 36 ? -4.94159 55.36228 3.55730 0.026 25.30148 C ? A ? 35 CD2 1
   ATOM 769 CE1 B TYR A 36 ? -5.21921 53.53463 5.59743 0.026 23.64893 C ? A ? 35 CE1 1
   ATOM 770 CE2 B TYR A 36 ? -5.98652 55.48469 4.43925 0.026 26.25217 C ? A ? 35 CE2 1
   ATOM 771 CZ B TYR A 36 ? -6.12226 54.56710 5.46030 0.026 25.08077 C ? A ? 35 CZ 1
   ATOM 772 OH B TYR A 36 ? -7.16214 54.68060 6.35027 0.026 25.89615 O ? A ? 35 OH 1
   ATOM 773 H B TYR A 36 ? -2.21650 53.77744 0.28451 0.026 25.84017 H ? A ? 35 H 1
   ATOM 774 HA B TYR A 36 ? -2.75166 52.15769 2.39424 0.026 26.58296 H ? A ? 35 HA 1
   ATOM 775 HB2 B TYR A 36 ? -2.06204 54.15005 3.21963 0.026 28.79575 H ? A ? 35 HB2 1
   ATOM 776 HB3 B TYR A 36 ? -2.88736 54.96309 2.13186 0.026 28.79575 H ? A ? 35 HB3 1
   ATOM 777 HD1 B TYR A 36 ? -3.57567 52.72463 4.80374 0.026 27.38879 H ? A ? 35 HD1 1
   ATOM 778 HD2 B TYR A 36 ? -4.84939 55.97880 2.86716 0.026 30.36258 H ? A ? 35 HD2 1
   ATOM 779 HE1 B TYR A 36 ? -5.31398 52.91813 6.28724 0.026 28.37952 H ? A ? 35 HE1 1
   ATOM 780 HE2 B TYR A 36 ? -6.59745 56.18006 4.34914 0.026 31.50340 H ? A ? 35 HE2 1
   ATOM 781 HH B TYR A 36 ? -7.75004 55.19481 6.04113 0.026 31.07619 H ? A ? 35 HH 1
   ATOM 782 N . ASP A 37 ? -4.96394 51.51677 1.63181 1.000 21.53282 N ? A ? 36 N 1
   ATOM 783 CA . ASP A 37 ? -6.34242 51.13829 1.32881 1.000 22.79609 C ? A ? 36 CA 1
   ATOM 784 C . ASP A 37 ? -6.98753 50.99356 2.70228 1.000 22.86443 C ? A ? 36 C 1
   ATOM 785 O . ASP A 37 ? -6.66940 50.05683 3.45272 1.000 20.67314 O ? A ? 36 O 1
   ATOM 786 CB . ASP A 37 ? -6.36236 49.84445 0.50933 1.000 21.87433 C ? A ? 36 CB 1
   ATOM 787 CG . ASP A 37 ? -7.76310 49.35899 0.18110 1.000 29.06568 C ? A ? 36 CG 1
   ATOM 788 OD1 . ASP A 37 ? -8.59619 49.21585 1.08690 1.000 24.86520 O ? A ? 36 OD1 1
   ATOM 789 OD2 . ASP A 37 ? -8.01625 49.08162 -1.00661 1.000 45.78111 O ? A ? 36 OD2 1
   ATOM 790 HA . ASP A 37 ? -6.81975 51.80305 0.80809 1.000 27.35611 H ? A ? 36 HA 1
   ATOM 791 HB2 . ASP A 37 ? -5.89687 49.99651 -0.32799 1.000 26.25001 H ? A ? 36 HB2 1
   ATOM 792 HB3 . ASP A 37 ? -5.91687 49.14648 1.01457 1.000 26.25001 H ? A ? 36 HB3 1
   ATOM 793 H A ASP A 37 ? -4.52344 50.88331 2.01166 0.974 25.84019 H ? A ? 36 H 1
   ATOM 794 H B ASP A 37 ? -4.51576 50.87196 1.98246 0.026 25.84019 H ? A ? 36 H 1
   ATOM 795 N . ALA A 38 ? -7.83245 51.95653 3.06173 1.000 20.16852 N ? A ? 37 N 1
   ATOM 796 CA . ALA A 38 ? -8.42398 51.96567 4.38468 1.000 20.15200 C ? A ? 37 CA 1
   ATOM 797 C . ALA A 38 ? -9.14378 50.67046 4.71218 1.000 20.02451 C ? A ? 37 C 1
   ATOM 798 O . ALA A 38 ? -9.05893 50.19359 5.84592 1.000 20.48607 O ? A ? 37 O 1
   ATOM 799 CB . ALA A 38 ? -9.41073 53.11860 4.51940 1.000 22.24344 C ? A ? 37 CB 1
   ATOM 800 H . ALA A 38 ? -8.07539 52.61010 2.55831 1.000 24.20303 H ? A ? 37 H 1
   ATOM 801 HA . ALA A 38 ? -7.69860 52.08410 5.01768 1.000 24.18321 H ? A ? 37 HA 1
   ATOM 802 HB1 . ALA A 38 ? -9.79304 53.10454 5.41077 1.000 26.69293 H ? A ? 37 HB1 1
   ATOM 803 HB2 . ALA A 38 ? -8.94112 53.95481 4.37405 1.000 26.69293 H ? A ? 37 HB2 1
   ATOM 804 HB3 . ALA A 38 ? -10.11164 53.01341 3.85716 1.000 26.69293 H ? A ? 37 HB3 1
   ATOM 805 N A ALA A 39 ? -9.88559 50.10778 3.75922 0.700 20.15606 N ? A ? 38 N 1
   ATOM 806 CA A ALA A 39 ? -10.61901 48.87569 4.03713 0.700 23.57419 C ? A ? 38 CA 1
   ATOM 807 C A ALA A 39 ? -9.66434 47.71708 4.29842 0.700 20.24131 C ? A ? 38 C 1
   ATOM 808 O A ALA A 39 ? -9.87097 46.94089 5.23952 0.700 22.38919 O ? A ? 38 O 1
   ATOM 809 CB A ALA A 39 ? -11.59645 48.55811 2.89567 0.700 25.42863 C ? A ? 38 CB 1
   ATOM 810 H A ALA A 39 ? -9.97930 50.41242 2.96046 0.700 24.18808 H ? A ? 38 H 1
   ATOM 811 HA A ALA A 39 ? -11.15339 49.00153 4.83683 0.700 28.28983 H ? A ? 38 HA 1
   ATOM 812 HB1 A ALA A 39 ? -12.07383 47.74058 3.10695 0.700 30.51516 H ? A ? 38 HB1 1
   ATOM 813 HB2 A ALA A 39 ? -12.22320 49.29262 2.80306 0.700 30.51516 H ? A ? 38 HB2 1
   ATOM 814 HB3 A ALA A 39 ? -11.09521 48.44526 2.07291 0.700 30.51516 H ? A ? 38 HB3 1
   ATOM 815 N B ALA A 39 ? -9.87146 50.09857 3.75045 0.300 20.33215 N ? A ? 38 N 1
   ATOM 816 CA B ALA A 39 ? -10.62179 48.87429 4.02420 0.300 23.86876 C ? A ? 38 CA 1
   ATOM 817 C B ALA A 39 ? -9.68675 47.69504 4.26841 0.300 20.20384 C ? A ? 38 C 1
   ATOM 818 O B ALA A 39 ? -9.93572 46.87344 5.15910 0.300 22.15026 O ? A ? 38 O 1
   ATOM 819 CB B ALA A 39 ? -11.58999 48.57117 2.87505 0.300 25.35811 C ? A ? 38 CB 1
   ATOM 820 H B ALA A 39 ? -9.94596 50.39396 2.94621 0.300 24.39938 H ? A ? 38 H 1
   ATOM 821 HA B ALA A 39 ? -11.15059 49.00909 4.82614 0.300 28.64332 H ? A ? 38 HA 1
   ATOM 822 HB1 B ALA A 39 ? -12.06759 47.75035 3.07270 0.300 30.43054 H ? A ? 38 HB1 1
   ATOM 823 HB2 B ALA A 39 ? -12.21712 49.30607 2.78831 0.300 30.43054 H ? A ? 38 HB2 1
   ATOM 824 HB3 B ALA A 39 ? -11.08366 48.46973 2.05393 0.300 30.43054 H ? A ? 38 HB3 1
   ATOM 825 N . GLN A 40 ? -8.61799 47.59296 3.48020 1.000 21.12369 N ? A ? 39 N 1
   ATOM 826 CA . GLN A 40 ? -7.62067 46.53509 3.68618 1.000 20.70406 C ? A ? 39 CA 1
   ATOM 827 C . GLN A 40 ? -7.03943 46.61462 5.09335 1.000 19.76079 C ? A ? 39 C 1
   ATOM 828 O . GLN A 40 ? -6.94614 45.59301 5.80667 1.000 21.81860 O ? A ? 39 O 1
   ATOM 829 CB . GLN A 40 ? -6.48783 46.70073 2.66234 1.000 22.82163 C ? A ? 39 CB 1
   ATOM 830 CG . GLN A 40 ? -5.31937 45.72056 2.80843 1.000 23.91925 C ? A ? 39 CG 1
   ATOM 831 CD . GLN A 40 ? -4.13613 46.01822 1.87021 1.000 27.48163 C ? A ? 39 CD 1
   ATOM 832 OE1 . GLN A 40 ? -3.86844 47.18750 1.53905 1.000 25.68602 O ? A ? 39 OE1 1
   ATOM 833 NE2 . GLN A 40 ? -3.41030 44.96617 1.45321 1.000 24.26827 N ? A ? 39 NE2 1
   ATOM 834 HA . GLN A 40 ? -8.04332 45.67065 3.56370 1.000 24.84568 H ? A ? 39 HA 1
   ATOM 835 HB2 . GLN A 40 ? -6.85859 46.57788 1.77446 1.000 27.38676 H ? A ? 39 HB2 1
   ATOM 836 HB3 . GLN A 40 ? -6.12605 47.59649 2.74978 1.000 27.38676 H ? A ? 39 HB3 1
   ATOM 837 HG2 . GLN A 40 ? -4.99065 45.76084 3.72014 1.000 28.70391 H ? A ? 39 HG2 1
   ATOM 838 HG3 . GLN A 40 ? -5.63624 44.82567 2.60925 1.000 28.70391 H ? A ? 39 HG3 1
   ATOM 839 HE21 . GLN A 40 ? -3.61613 44.17219 1.71171 1.000 29.12273 H ? A ? 39 HE21 1
   ATOM 840 HE22 . GLN A 40 ? -2.74017 45.08719 0.92795 1.000 29.12273 H ? A ? 39 HE22 1
   ATOM 841 H A GLN A 40 ? -8.46114 48.10138 2.80455 0.700 25.34923 H ? A ? 39 H 1
   ATOM 842 H B GLN A 40 ? -8.44398 48.11823 2.82186 0.300 25.34923 H ? A ? 39 H 1
   ATOM 843 N A ILE A 41 ? -6.61973 47.81228 5.49808 0.511 19.26820 N ? A ? 40 N 1
   ATOM 844 CA A ILE A 41 ? -6.00567 47.96335 6.80558 0.511 19.76207 C ? A ? 40 CA 1
   ATOM 845 C A ILE A 41 ? -7.00602 47.67043 7.90515 0.511 20.30746 C ? A ? 40 C 1
   ATOM 846 O A ILE A 41 ? -6.68825 46.97741 8.87913 0.511 20.76937 O ? A ? 40 O 1
   ATOM 847 CB A ILE A 41 ? -5.35663 49.34854 6.95800 0.511 19.51594 C ? A ? 40 CB 1
   ATOM 848 CG1 A ILE A 41 ? -4.08830 49.43331 6.10411 0.511 17.85674 C ? A ? 40 CG1 1
   ATOM 849 CG2 A ILE A 41 ? -5.12426 49.59776 8.42972 0.511 18.85285 C ? A ? 40 CG2 1
   ATOM 850 CD1 A ILE A 41 ? -2.97611 48.51639 6.54299 0.511 21.24249 C ? A ? 40 CD1 1
   ATOM 851 H A ILE A 41 ? -6.67943 48.53784 5.04026 0.511 23.12264 H ? A ? 40 H 1
   ATOM 852 HA A ILE A 41 ? -5.29327 47.30908 6.87858 0.511 23.71528 H ? A ? 40 HA 1
   ATOM 853 HB A ILE A 41 ? -5.93790 50.05130 6.62764 0.511 23.41994 H ? A ? 40 HB 1
   ATOM 854 HG12 A ILE A 41 ? -4.31532 49.20144 5.19000 0.511 21.42889 H ? A ? 40 HG12 1
   ATOM 855 HG13 A ILE A 41 ? -3.75072 50.34188 6.14185 0.511 21.42889 H ? A ? 40 HG13 1
   ATOM 856 HG21 A ILE A 41 ? -4.49399 50.32814 8.53069 0.511 22.62423 H ? A ? 40 HG21 1
   ATOM 857 HG22 A ILE A 41 ? -5.96834 49.82902 8.84799 0.511 22.62423 H ? A ? 40 HG22 1
   ATOM 858 HG23 A ILE A 41 ? -4.76472 48.79240 8.83349 0.511 22.62423 H ? A ? 40 HG23 1
   ATOM 859 HD11 A ILE A 41 ? -2.16540 48.75225 6.06548 0.511 25.49179 H ? A ? 40 HD11 1
   ATOM 860 HD12 A ILE A 41 ? -2.83965 48.61995 7.49775 0.511 25.49179 H ? A ? 40 HD12 1
   ATOM 861 HD13 A ILE A 41 ? -3.22397 47.60045 6.34171 0.511 25.49179 H ? A ? 40 HD13 1
   ATOM 862 N B ILE A 41 ? -6.64187 47.81596 5.52024 0.489 19.16531 N ? A ? 40 N 1
   ATOM 863 CA B ILE A 41 ? -6.00101 47.98757 6.82129 0.489 19.66892 C ? A ? 40 CA 1
   ATOM 864 C B ILE A 41 ? -6.99751 47.81497 7.95401 0.489 21.21006 C ? A ? 40 C 1
   ATOM 865 O B ILE A 41 ? -6.65268 47.27174 9.01596 0.489 20.08335 O ? A ? 40 O 1
   ATOM 866 CB B ILE A 41 ? -5.27314 49.34683 6.84069 0.489 19.70362 C ? A ? 40 CB 1
   ATOM 867 CG1 B ILE A 41 ? -4.19581 49.38460 5.73977 0.489 18.15514 C ? A ? 40 CG1 1
   ATOM 868 CG2 B ILE A 41 ? -4.70913 49.66739 8.21266 0.489 22.33463 C ? A ? 40 CG2 1
   ATOM 869 CD1 B ILE A 41 ? -3.03068 48.41602 5.90963 0.489 17.56516 C ? A ? 40 CD1 1
   ATOM 870 H B ILE A 41 ? -6.73203 48.54631 5.07520 0.489 22.99918 H ? A ? 40 H 1
   ATOM 871 HA B ILE A 41 ? -5.33608 47.29420 6.95548 0.489 23.60350 H ? A ? 40 HA 1
   ATOM 872 HB B ILE A 41 ? -5.92180 50.04191 6.64832 0.489 23.64515 H ? A ? 40 HB 1
   ATOM 873 HG12 B ILE A 41 ? -4.62047 49.17578 4.89304 0.489 21.78697 H ? A ? 40 HG12 1
   ATOM 874 HG13 B ILE A 41 ? -3.82239 50.27941 5.71187 0.489 21.78697 H ? A ? 40 HG13 1
   ATOM 875 HG21 B ILE A 41 ? -4.13033 50.44265 8.14290 0.489 26.80236 H ? A ? 40 HG21 1
   ATOM 876 HG22 B ILE A 41 ? -5.44220 49.85542 8.81941 0.489 26.80236 H ? A ? 40 HG22 1
   ATOM 877 HG23 B ILE A 41 ? -4.20277 48.90422 8.53213 0.489 26.80236 H ? A ? 40 HG23 1
   ATOM 878 HD11 B ILE A 41 ? -2.33403 48.64563 5.27493 0.489 21.07899 H ? A ? 40 HD11 1
   ATOM 879 HD12 B ILE A 41 ? -2.68997 48.48755 6.81500 0.489 21.07899 H ? A ? 40 HD12 1
   ATOM 880 HD13 B ILE A 41 ? -3.34405 47.51300 5.74452 0.489 21.07899 H ? A ? 40 HD13 1
   ATOM 881 N A LYS A 42 ? -8.22290 48.20450 7.78110 0.511 20.10879 N ? A ? 41 N 1
   ATOM 882 CA A LYS A 42 ? -9.23869 47.97044 8.79787 0.511 18.25057 C ? A ? 41 CA 1
   ATOM 883 C A LYS A 42 ? -9.42491 46.46271 9.03595 0.511 20.47436 C ? A ? 41 C 1
   ATOM 884 O A LYS A 42 ? -9.46548 46.00587 10.18482 0.511 20.89584 O ? A ? 41 O 1
   ATOM 885 CB A LYS A 42 ? -10.55413 48.65595 8.39533 0.511 19.06435 C ? A ? 41 CB 1
   ATOM 886 CG A LYS A 42 ? -11.64936 48.48611 9.42394 0.511 20.36750 C ? A ? 41 CG 1
   ATOM 887 CD A LYS A 42 ? -13.00208 49.05507 8.96844 0.511 24.23039 C ? A ? 41 CD 1
   ATOM 888 CE A LYS A 42 ? -14.07265 48.80808 10.02618 0.511 22.62698 C ? A ? 41 CE 1
   ATOM 889 NZ A LYS A 42 ? -15.41859 49.32136 9.62791 0.511 29.18724 N ? A ? 41 NZ 1
   ATOM 890 H A LYS A 42 ? -8.47902 48.69884 7.12563 0.511 24.13136 H ? A ? 41 H 1
   ATOM 891 HA A LYS A 42 ? -8.95922 48.36817 9.63728 0.511 21.90150 H ? A ? 41 HA 1
   ATOM 892 HB2 A LYS A 42 ? -10.39260 49.60596 8.28447 0.511 22.87802 H ? A ? 41 HB2 1
   ATOM 893 HB3 A LYS A 42 ? -10.86581 48.27279 7.56050 0.511 22.87802 H ? A ? 41 HB3 1
   ATOM 894 HG2 A LYS A 42 ? -11.76938 47.54029 9.60258 0.511 24.44180 H ? A ? 41 HG2 1
   ATOM 895 HG3 A LYS A 42 ? -11.39137 48.94725 10.23738 0.511 24.44180 H ? A ? 41 HG3 1
   ATOM 896 HD2 A LYS A 42 ? -12.92142 50.01154 8.82862 0.511 29.07727 H ? A ? 41 HD2 1
   ATOM 897 HD3 A LYS A 42 ? -13.27598 48.62137 8.14516 0.511 29.07727 H ? A ? 41 HD3 1
   ATOM 898 HE2 A LYS A 42 ? -14.15054 47.85333 10.17879 0.511 27.15318 H ? A ? 41 HE2 1
   ATOM 899 HE3 A LYS A 42 ? -13.81368 49.25522 10.84709 0.511 27.15318 H ? A ? 41 HE3 1
   ATOM 900 HZ1 A LYS A 42 ? -15.86555 49.59409 10.34760 0.511 35.02550 H ? A ? 41 HZ1 1
   ATOM 901 HZ2 A LYS A 42 ? -15.32932 50.00626 9.06662 0.511 35.02550 H ? A ? 41 HZ2 1
   ATOM 902 HZ3 A LYS A 42 ? -15.88331 48.67736 9.22616 0.511 35.02550 H ? A ? 41 HZ3 1
   ATOM 903 N B LYS A 42 ? -8.24885 48.23599 7.75111 0.489 20.05809 N ? A ? 41 N 1
   ATOM 904 CA B LYS A 42 ? -9.28149 47.98788 8.75110 0.489 18.24193 C ? A ? 41 CA 1
   ATOM 905 C B LYS A 42 ? -9.42467 46.48109 9.01990 0.489 20.60189 C ? A ? 41 C 1
   ATOM 906 O B LYS A 42 ? -9.42067 46.04366 10.17614 0.489 20.45388 O ? A ? 41 O 1
   ATOM 907 CB B LYS A 42 ? -10.60727 48.62361 8.29314 0.489 20.37514 C ? A ? 41 CB 1
   ATOM 908 CG B LYS A 42 ? -11.76133 48.36089 9.23404 0.489 19.38537 C ? A ? 41 CG 1
   ATOM 909 CD B LYS A 42 ? -13.08266 49.02207 8.81055 0.489 21.79692 C ? A ? 41 CD 1
   ATOM 910 CE B LYS A 42 ? -14.19070 48.66119 9.79725 0.489 24.84572 C ? A ? 41 CE 1
   ATOM 911 NZ B LYS A 42 ? -15.47435 49.36511 9.51359 0.489 29.17951 N ? A ? 41 NZ 1
   ATOM 912 H B LYS A 42 ? -8.51902 48.66037 7.05361 0.489 24.07052 H ? A ? 41 H 1
   ATOM 913 HA B LYS A 42 ? -9.03646 48.40779 9.59047 0.489 21.89113 H ? A ? 41 HA 1
   ATOM 914 HB2 B LYS A 42 ? -10.48797 49.58422 8.23070 0.489 24.45097 H ? A ? 41 HB2 1
   ATOM 915 HB3 B LYS A 42 ? -10.84385 48.26156 7.42489 0.489 24.45097 H ? A ? 41 HB3 1
   ATOM 916 HG2 B LYS A 42 ? -11.91358 47.40400 9.27979 0.489 23.26325 H ? A ? 41 HG2 1
   ATOM 917 HG3 B LYS A 42 ? -11.53060 48.70246 10.11210 0.489 23.26325 H ? A ? 41 HG3 1
   ATOM 918 HD2 B LYS A 42 ? -12.97700 49.98625 8.80118 0.489 26.15711 H ? A ? 41 HD2 1
   ATOM 919 HD3 B LYS A 42 ? -13.33726 48.70764 7.92896 0.489 26.15711 H ? A ? 41 HD3 1
   ATOM 920 HE2 B LYS A 42 ? -14.35658 47.70664 9.75011 0.489 29.81567 H ? A ? 41 HE2 1
   ATOM 921 HE3 B LYS A 42 ? -13.90771 48.90493 10.69246 0.489 29.81567 H ? A ? 41 HE3 1
   ATOM 922 HZ1 B LYS A 42 ? -15.67653 49.91217 10.18586 0.489 35.01622 H ? A ? 41 HZ1 1
   ATOM 923 HZ2 B LYS A 42 ? -15.40135 49.84160 8.76543 0.489 35.01622 H ? A ? 41 HZ2 1
   ATOM 924 HZ3 B LYS A 42 ? -16.13125 48.77265 9.41576 0.489 35.01622 H ? A ? 41 HZ3 1
   ATOM 925 N . ALA A 43 ? -9.51213 45.67612 7.95373 1.000 20.37549 N ? A ? 42 N 1
   ATOM 926 CA . ALA A 43 ? -9.64229 44.21687 8.09118 1.000 18.73805 C ? A ? 42 CA 1
   ATOM 927 C . ALA A 43 ? -8.40940 43.59237 8.72005 1.000 22.30232 C ? A ? 42 C 1
   ATOM 928 O . ALA A 43 ? -8.52086 42.65950 9.52934 1.000 22.50196 O ? A ? 42 O 1
   ATOM 929 CB . ALA A 43 ? -9.88010 43.66429 6.70547 1.000 19.65207 C ? A ? 42 CB 1
   ATOM 930 HA . ALA A 43 ? -10.38568 43.99509 8.67348 1.000 22.48646 H ? A ? 42 HA 1
   ATOM 931 HB1 . ALA A 43 ? -9.99524 42.70295 6.76432 1.000 23.58329 H ? A ? 42 HB1 1
   ATOM 932 HB2 . ALA A 43 ? -10.67942 44.07118 6.33612 1.000 23.58329 H ? A ? 42 HB2 1
   ATOM 933 HB3 . ALA A 43 ? -9.11477 43.87220 6.14695 1.000 23.58329 H ? A ? 42 HB3 1
   ATOM 934 H A ALA A 43 ? -9.49874 45.95647 7.14082 0.511 24.45140 H ? A ? 42 H 1
   ATOM 935 H B ALA A 43 ? -9.49877 45.94748 7.13777 0.489 24.45140 H ? A ? 42 H 1
   ATOM 936 N A ASN A 44 ? -7.21331 44.03729 8.32041 0.594 20.87768 N ? A ? 43 N 1
   ATOM 937 CA A ASN A 44 ? -6.00781 43.45716 8.89910 0.594 19.81318 C ? A ? 43 CA 1
   ATOM 938 C A ASN A 44 ? -5.93031 43.76052 10.38762 0.594 21.27337 C ? A ? 43 C 1
   ATOM 939 O A ASN A 44 ? -5.57657 42.88896 11.18901 0.594 19.30352 O ? A ? 43 O 1
   ATOM 940 CB A ASN A 44 ? -4.76745 43.96900 8.18866 0.594 22.56911 C ? A ? 43 CB 1
   ATOM 941 CG A ASN A 44 ? -3.49645 43.34740 8.74513 0.594 20.59653 C ? A ? 43 CG 1
   ATOM 942 OD1 A ASN A 44 ? -3.32272 42.12480 8.68687 0.594 20.99068 O ? A ? 43 OD1 1
   ATOM 943 ND2 A ASN A 44 ? -2.61160 44.16185 9.27896 0.594 20.36846 N ? A ? 43 ND2 1
   ATOM 944 H A ASN A 44 ? -7.08078 44.65341 7.73525 0.594 25.05402 H ? A ? 43 H 1
   ATOM 945 HA A ASN A 44 ? -6.03579 42.49545 8.77563 0.594 23.77662 H ? A ? 43 HA 1
   ATOM 946 HB2 A ASN A 44 ? -4.82557 43.74812 7.24593 0.594 27.08373 H ? A ? 43 HB2 1
   ATOM 947 HB3 A ASN A 44 ? -4.70920 44.93069 8.30110 0.594 27.08373 H ? A ? 43 HB3 1
   ATOM 948 HD21 A ASN A 44 ? -1.87995 43.84828 9.60448 0.594 24.44295 H ? A ? 43 HD21 1
   ATOM 949 HD22 A ASN A 44 ? -2.76490 45.00776 9.30234 0.594 24.44295 H ? A ? 43 HD22 1
   ATOM 950 N B ASN A 44 ? -7.22704 44.06572 8.34962 0.406 20.85575 N ? A ? 43 N 1
   ATOM 951 CA B ASN A 44 ? -6.02074 43.45792 8.88304 0.406 19.88730 C ? A ? 43 CA 1
   ATOM 952 C B ASN A 44 ? -5.81574 43.80486 10.35200 0.406 21.21554 C ? A ? 43 C 1
   ATOM 953 O B ASN A 44 ? -5.24388 42.99388 11.10034 0.406 17.88836 O ? A ? 43 O 1
   ATOM 954 CB B ASN A 44 ? -4.82088 43.89003 8.06793 0.406 20.39209 C ? A ? 43 CB 1
   ATOM 955 CG B ASN A 44 ? -3.56118 43.21900 8.52674 0.406 24.91035 C ? A ? 43 CG 1
   ATOM 956 OD1 B ASN A 44 ? -3.29613 42.07475 8.14798 0.406 23.61826 O ? A ? 43 OD1 1
   ATOM 957 ND2 B ASN A 44 ? -2.78270 43.89965 9.35349 0.406 18.92435 N ? A ? 43 ND2 1
   ATOM 958 H B ASN A 44 ? -7.10012 44.71976 7.80582 0.406 25.02770 H ? A ? 43 H 1
   ATOM 959 HA B ASN A 44 ? -6.10082 42.49370 8.81406 0.406 23.86557 H ? A ? 43 HA 1
   ATOM 960 HB2 B ASN A 44 ? -4.96670 43.65799 7.13745 0.406 24.47131 H ? A ? 43 HB2 1
   ATOM 961 HB3 B ASN A 44 ? -4.70344 44.84883 8.15627 0.406 24.47131 H ? A ? 43 HB3 1
   ATOM 962 HD21 B ASN A 44 ? -2.05088 43.55067 9.64029 0.406 22.71003 H ? A ? 43 HD21 1
   ATOM 963 HD22 B ASN A 44 ? -3.00884 44.69075 9.60371 0.406 22.71003 H ? A ? 43 HD22 1
   ATOM 964 N . VAL A 45 ? -6.26446 44.99228 10.78639 1.000 20.76993 N ? A ? 44 N 1
   ATOM 965 CA . VAL A 45 ? -6.19290 45.33704 12.19677 1.000 18.13872 C ? A ? 44 CA 1
   ATOM 966 C . VAL A 45 ? -7.19953 44.53693 12.98853 1.000 22.21219 C ? A ? 44 C 1
   ATOM 967 O . VAL A 45 ? -6.94545 44.19456 14.14462 1.000 22.38387 O ? A ? 44 O 1
   ATOM 968 CB . VAL A 45 ? -6.21329 46.86138 12.38309 1.000 18.34646 C ? A ? 44 CB 1
   ATOM 969 CG1 . VAL A 45 ? -6.17918 47.19041 13.83861 1.000 22.42849 C ? A ? 44 CG1 1
   ATOM 970 CG2 . VAL A 45 ? -4.98462 47.40455 11.70744 1.000 19.96284 C ? A ? 44 CG2 1
   ATOM 971 HA . VAL A 45 ? -5.33687 45.07430 12.56969 1.000 21.76726 H ? A ? 44 HA 1
   ATOM 972 HB . VAL A 45 ? -7.01515 47.25385 12.00375 1.000 22.01656 H ? A ? 44 HB 1
   ATOM 973 HG11 . VAL A 45 ? -6.03562 48.14398 13.94355 1.000 26.91500 H ? A ? 44 HG11 1
   ATOM 974 HG12 . VAL A 45 ? -7.02538 46.93721 14.23954 1.000 26.91500 H ? A ? 44 HG12 1
   ATOM 975 HG13 . VAL A 45 ? -5.45489 46.69890 14.25660 1.000 26.91500 H ? A ? 44 HG13 1
   ATOM 976 HG21 . VAL A 45 ? -4.96559 48.36848 11.81412 1.000 23.95621 H ? A ? 44 HG21 1
   ATOM 977 HG22 . VAL A 45 ? -4.19862 47.01081 12.11740 1.000 23.95621 H ? A ? 44 HG22 1
   ATOM 978 HG23 . VAL A 45 ? -5.01553 47.17659 10.76512 1.000 23.95621 H ? A ? 44 HG23 1
   ATOM 979 H A VAL A 45 ? -6.52842 45.62672 10.26927 0.594 24.92473 H ? A ? 44 H 1
   ATOM 980 H B VAL A 45 ? -6.60834 45.60153 10.28624 0.406 24.92473 H ? A ? 44 H 1
   ATOM 981 N . GLU A 46 ? -8.33219 44.19497 12.38275 1.000 21.75278 N ? A ? 45 N 1
   ATOM 982 CA . GLU A 46 ? -9.27214 43.32186 13.06253 1.000 19.91313 C ? A ? 45 CA 1
   ATOM 983 C . GLU A 46 ? -8.65017 41.94920 13.33634 1.000 22.43524 C ? A ? 45 C 1
   ATOM 984 O . GLU A 46 ? -8.81907 41.39743 14.43231 1.000 23.58641 O ? A ? 45 O 1
   ATOM 985 H . GLU A 46 ? -8.57234 44.44990 11.59730 1.000 26.10414 H ? A ? 45 H 1
   ATOM 986 HA . GLU A 46 ? -9.51181 43.70960 13.91875 1.000 23.89656 H ? A ? 45 HA 1
   ATOM 987 CB A GLU A 46 ? -10.54328 43.19702 12.23647 0.565 23.83583 C ? A ? 45 CB 1
   ATOM 988 CG A GLU A 46 ? -11.47253 44.41587 12.35205 0.565 20.42771 C ? A ? 45 CG 1
   ATOM 989 CD A GLU A 46 ? -12.47116 44.50701 11.21246 0.565 28.23099 C ? A ? 45 CD 1
   ATOM 990 OE1 A GLU A 46 ? -12.37549 43.71787 10.24464 0.565 33.68872 O ? A ? 45 OE1 1
   ATOM 991 OE2 A GLU A 46 ? -13.38858 45.35473 11.26768 0.565 27.68371 O ? A ? 45 OE2 1
   ATOM 992 HB2 A GLU A 46 ? -10.30069 43.09586 11.30275 0.565 28.60380 H ? A ? 45 HB2 1
   ATOM 993 HB3 A GLU A 46 ? -11.03645 42.41784 12.53740 0.565 28.60380 H ? A ? 45 HB3 1
   ATOM 994 HG2 A GLU A 46 ? -11.97042 44.35553 13.18233 0.565 24.51406 H ? A ? 45 HG2 1
   ATOM 995 HG3 A GLU A 46 ? -10.93574 45.22377 12.34506 0.565 24.51406 H ? A ? 45 HG3 1
   ATOM 996 CB B GLU A 46 ? -10.54115 43.16935 12.22559 0.435 23.84324 C ? A ? 45 CB 1
   ATOM 997 CG B GLU A 46 ? -11.63272 42.33325 12.87842 0.435 27.21999 C ? A ? 45 CG 1
   ATOM 998 CD B GLU A 46 ? -12.38105 43.10224 13.96435 0.435 32.78702 C ? A ? 45 CD 1
   ATOM 999 OE1 B GLU A 46 ? -12.08661 44.29531 14.18145 0.435 36.58020 O ? A ? 45 OE1 1
   ATOM 1000 OE2 B GLU A 46 ? -13.27159 42.49572 14.60535 0.435 33.43658 O ? A ? 45 OE2 1
   ATOM 1001 HB2 B GLU A 46 ? -10.90854 44.05138 12.05841 0.435 28.61269 H ? A ? 45 HB2 1
   ATOM 1002 HB3 B GLU A 46 ? -10.30798 42.74255 11.38631 0.435 28.61269 H ? A ? 45 HB3 1
   ATOM 1003 HG2 B GLU A 46 ? -12.27431 42.06456 12.20236 0.435 32.66479 H ? A ? 45 HG2 1
   ATOM 1004 HG3 B GLU A 46 ? -11.23187 41.54937 13.28555 0.435 32.66479 H ? A ? 45 HG3 1
   ATOM 1005 N A VAL A 47 ? -7.91101 41.39165 12.36403 0.685 20.33231 N ? A ? 46 N 1
   ATOM 1006 CA A VAL A 47 ? -7.16541 40.15231 12.59400 0.685 19.59899 C ? A ? 46 CA 1
   ATOM 1007 C A VAL A 47 ? -6.18864 40.32906 13.73728 0.685 21.87831 C ? A ? 46 C 1
   ATOM 1008 O A VAL A 47 ? -6.14451 39.51988 14.68292 0.685 21.71748 O ? A ? 46 O 1
   ATOM 1009 CB A VAL A 47 ? -6.44889 39.73864 11.30259 0.685 21.89838 C ? A ? 46 CB 1
   ATOM 1010 CG1 A VAL A 47 ? -5.49172 38.57607 11.58266 0.685 20.55981 C ? A ? 46 CG1 1
   ATOM 1011 CG2 A VAL A 47 ? -7.39990 39.35943 10.23794 0.685 20.26196 C ? A ? 46 CG2 1
   ATOM 1012 H A VAL A 47 ? -7.82731 41.71097 11.56991 0.685 24.39958 H ? A ? 46 H 1
   ATOM 1013 HA A VAL A 47 ? -7.78615 39.44996 12.84358 0.685 23.51959 H ? A ? 46 HA 1
   ATOM 1014 HB A VAL A 47 ? -5.94554 40.50412 10.98390 0.685 26.27887 H ? A ? 46 HB 1
   ATOM 1015 HG11 A VAL A 47 ? -5.24059 38.16405 10.74119 0.685 24.67258 H ? A ? 46 HG11 1
   ATOM 1016 HG12 A VAL A 47 ? -4.70292 38.91770 12.03209 0.685 24.67258 H ? A ? 46 HG12 1
   ATOM 1017 HG13 A VAL A 47 ? -5.93961 37.92740 12.14791 0.685 24.67258 H ? A ? 46 HG13 1
   ATOM 1018 HG21 A VAL A 47 ? -6.90148 39.08266 9.45317 0.685 24.31516 H ? A ? 46 HG21 1
   ATOM 1019 HG22 A VAL A 47 ? -7.95240 38.62750 10.55403 0.685 24.31516 H ? A ? 46 HG22 1
   ATOM 1020 HG23 A VAL A 47 ? -7.95582 40.12492 10.02374 0.685 24.31516 H ? A ? 46 HG23 1
   ATOM 1021 N B VAL A 47 ? -7.88754 41.40457 12.37502 0.315 20.27455 N ? A ? 46 N 1
   ATOM 1022 CA B VAL A 47 ? -7.17271 40.14721 12.60220 0.315 19.72185 C ? A ? 46 CA 1
   ATOM 1023 C B VAL A 47 ? -6.08224 40.33278 13.64539 0.315 21.27594 C ? A ? 46 C 1
   ATOM 1024 O B VAL A 47 ? -5.85199 39.45708 14.48503 0.315 20.46765 O ? A ? 46 O 1
   ATOM 1025 CB B VAL A 47 ? -6.63312 39.60076 11.26680 0.315 18.88481 C ? A ? 46 CB 1
   ATOM 1026 CG1 B VAL A 47 ? -5.84394 38.31330 11.47942 0.315 19.90939 C ? A ? 46 CG1 1
   ATOM 1027 CG2 B VAL A 47 ? -7.77239 39.34366 10.27972 0.315 22.97593 C ? A ? 46 CG2 1
   ATOM 1028 H B VAL A 47 ? -7.77078 41.74175 11.59254 0.315 24.33026 H ? A ? 46 H 1
   ATOM 1029 HA B VAL A 47 ? -7.79236 39.49012 12.95601 0.315 23.66702 H ? A ? 46 HA 1
   ATOM 1030 HB B VAL A 47 ? -6.04003 40.27055 10.89193 0.315 22.66257 H ? A ? 46 HB 1
   ATOM 1031 HG11 B VAL A 47 ? -5.67888 37.89822 10.61839 0.315 23.89207 H ? A ? 46 HG11 1
   ATOM 1032 HG12 B VAL A 47 ? -5.00168 38.52673 11.91063 0.315 23.89207 H ? A ? 46 HG12 1
   ATOM 1033 HG13 B VAL A 47 ? -6.36098 37.71510 12.04132 0.315 23.89207 H ? A ? 46 HG13 1
   ATOM 1034 HG21 B VAL A 47 ? -7.40430 38.97413 9.46189 0.315 27.57192 H ? A ? 46 HG21 1
   ATOM 1035 HG22 B VAL A 47 ? -8.39685 38.71534 10.67489 0.315 27.57192 H ? A ? 46 HG22 1
   ATOM 1036 HG23 B VAL A 47 ? -8.22186 40.18223 10.09084 0.315 27.57192 H ? A ? 46 HG23 1
   ATOM 1037 N A LEU A 48 ? -5.37905 41.38542 13.65657 0.685 18.76599 N ? A ? 47 N 1
   ATOM 1038 CA A LEU A 48 ? -4.38313 41.63052 14.68039 0.685 22.74442 C ? A ? 47 CA 1
   ATOM 1039 C A LEU A 48 ? -5.01523 41.75884 16.05729 0.685 21.86395 C ? A ? 47 C 1
   ATOM 1040 O A LEU A 48 ? -4.44266 41.31527 17.06374 0.685 22.70204 O ? A ? 47 O 1
   ATOM 1041 CB A LEU A 48 ? -3.57945 42.87487 14.33476 0.685 21.39627 C ? A ? 47 CB 1
   ATOM 1042 CG A LEU A 48 ? -2.56290 43.35087 15.37105 0.685 20.56674 C ? A ? 47 CG 1
   ATOM 1043 CD1 A LEU A 48 ? -1.57015 42.18086 15.64539 0.685 21.56422 C ? A ? 47 CD1 1
   ATOM 1044 CD2 A LEU A 48 ? -1.82665 44.63073 14.97347 0.685 23.93082 C ? A ? 47 CD2 1
   ATOM 1045 H A LEU A 48 ? -5.39034 41.96668 13.02284 0.685 22.51999 H ? A ? 47 H 1
   ATOM 1046 HA A LEU A 48 ? -3.77315 40.87684 14.70844 0.685 27.29411 H ? A ? 47 HA 1
   ATOM 1047 HB2 A LEU A 48 ? -3.08845 42.69611 13.51753 0.685 25.67633 H ? A ? 47 HB2 1
   ATOM 1048 HB3 A LEU A 48 ? -4.20339 43.60414 14.19415 0.685 25.67633 H ? A ? 47 HB3 1
   ATOM 1049 HG A LEU A 48 ? -3.03428 43.59213 16.18375 0.685 24.68089 H ? A ? 47 HG 1
   ATOM 1050 HD11 A LEU A 48 ? -0.86445 42.49631 16.23139 0.685 25.87787 H ? A ? 47 HD11 1
   ATOM 1051 HD12 A LEU A 48 ? -2.05030 41.45193 16.06848 0.685 25.87787 H ? A ? 47 HD12 1
   ATOM 1052 HD13 A LEU A 48 ? -1.19230 41.88322 14.80305 0.685 25.87787 H ? A ? 47 HD13 1
   ATOM 1053 HD21 A LEU A 48 ? -1.18661 44.85525 15.66689 0.685 28.71779 H ? A ? 47 HD21 1
   ATOM 1054 HD22 A LEU A 48 ? -1.36539 44.48169 14.13327 0.685 28.71779 H ? A ? 47 HD22 1
   ATOM 1055 HD23 A LEU A 48 ? -2.47178 45.34822 14.87390 0.685 28.71779 H ? A ? 47 HD23 1
   ATOM 1056 N B LEU A 48 ? -5.40264 41.47413 13.61919 0.315 18.96193 N ? A ? 47 N 1
   ATOM 1057 CA B LEU A 48 ? -4.37832 41.74757 14.61443 0.315 21.98695 C ? A ? 47 CA 1
   ATOM 1058 C B LEU A 48 ? -4.96382 41.87061 16.01617 0.315 22.58527 C ? A ? 47 C 1
   ATOM 1059 O B LEU A 48 ? -4.30864 41.49691 16.99702 0.315 22.34821 O ? A ? 47 O 1
   ATOM 1060 CB B LEU A 48 ? -3.62558 43.01251 14.22915 0.315 22.83400 C ? A ? 47 CB 1
   ATOM 1061 CG B LEU A 48 ? -2.43789 43.39411 15.08929 0.315 21.42526 C ? A ? 47 CG 1
   ATOM 1062 CD1 B LEU A 48 ? -1.41986 42.27255 15.07283 0.315 21.20874 C ? A ? 47 CD1 1
   ATOM 1063 CD2 B LEU A 48 ? -1.88261 44.69907 14.54475 0.315 22.12299 C ? A ? 47 CD2 1
   ATOM 1064 H B LEU A 48 ? -5.51496 42.10047 13.04067 0.315 22.75512 H ? A ? 47 H 1
   ATOM 1065 HA B LEU A 48 ? -3.74672 41.01160 14.63224 0.315 26.38514 H ? A ? 47 HA 1
   ATOM 1066 HB2 B LEU A 48 ? -3.29500 42.89936 13.32427 0.315 27.40160 H ? A ? 47 HB2 1
   ATOM 1067 HB3 B LEU A 48 ? -4.25008 43.75392 14.26393 0.315 27.40160 H ? A ? 47 HB3 1
   ATOM 1068 HG B LEU A 48 ? -2.68027 43.52802 16.01892 0.315 25.71111 H ? A ? 47 HG 1
   ATOM 1069 HD11 B LEU A 48 ? -0.61662 42.56843 15.52906 0.315 25.45129 H ? A ? 47 HD11 1
   ATOM 1070 HD12 B LEU A 48 ? -1.79289 41.50078 15.52684 0.315 25.45129 H ? A ? 47 HD12 1
   ATOM 1071 HD13 B LEU A 48 ? -1.21337 42.04696 14.15230 0.315 25.45129 H ? A ? 47 HD13 1
   ATOM 1072 HD21 B LEU A 48 ? -1.10300 44.95154 15.06375 0.315 26.54839 H ? A ? 47 HD21 1
   ATOM 1073 HD22 B LEU A 48 ? -1.63479 44.57345 13.61539 0.315 26.54839 H ? A ? 47 HD22 1
   ATOM 1074 HD23 B LEU A 48 ? -2.56374 45.38606 14.61550 0.315 26.54839 H ? A ? 47 HD23 1
   ATOM 1075 N . LYS A 49 ? -6.19219 42.37739 16.13138 1.000 21.90436 N ? A ? 48 N 1
   ATOM 1076 CA . LYS A 49 ? -6.83554 42.51015 17.42590 1.000 21.89808 C ? A ? 48 CA 1
   ATOM 1077 C . LYS A 49 ? -7.14598 41.13314 18.00774 1.000 20.46592 C ? A ? 48 C 1
   ATOM 1078 O . LYS A 49 ? -6.91501 40.88795 19.19223 1.000 20.64716 O ? A ? 48 O 1
   ATOM 1079 CB . LYS A 49 ? -8.10942 43.36845 17.26959 1.000 25.91766 C ? A ? 48 CB 1
   ATOM 1080 CG . LYS A 49 ? -9.00064 43.41340 18.49982 1.000 25.40984 C ? A ? 48 CG 1
   ATOM 1081 CD . LYS A 49 ? -10.38208 44.00641 18.18001 1.000 37.34485 C ? A ? 48 CD 1
   ATOM 1082 CE . LYS A 49 ? -11.29651 44.01890 19.40598 1.000 43.02132 C ? A ? 48 CE 1
   ATOM 1083 NZ . LYS A 49 ? -12.71326 44.32875 19.03990 1.000 51.14559 N ? A ? 48 NZ 1
   ATOM 1084 HA . LYS A 49 ? -6.24855 42.96452 18.05032 1.000 26.27850 H ? A ? 48 HA 1
   ATOM 1085 HB2 . LYS A 49 ? -7.84421 44.27939 17.06772 1.000 31.10199 H ? A ? 48 HB2 1
   ATOM 1086 HB3 . LYS A 49 ? -8.63675 43.00703 16.54007 1.000 31.10199 H ? A ? 48 HB3 1
   ATOM 1087 HG2 . LYS A 49 ? -9.12717 42.51272 18.83696 1.000 30.49261 H ? A ? 48 HG2 1
   ATOM 1088 HG3 . LYS A 49 ? -8.58240 43.96598 19.17851 1.000 30.49261 H ? A ? 48 HG3 1
   ATOM 1089 HD2 . LYS A 49 ? -10.27433 44.92025 17.87309 1.000 44.81463 H ? A ? 48 HD2 1
   ATOM 1090 HD3 . LYS A 49 ? -10.80711 43.47278 17.49045 1.000 44.81463 H ? A ? 48 HD3 1
   ATOM 1091 HE2 . LYS A 49 ? -11.27611 43.14632 19.82915 1.000 51.62639 H ? A ? 48 HE2 1
   ATOM 1092 HE3 . LYS A 49 ? -10.98844 44.69653 20.02793 1.000 51.62639 H ? A ? 48 HE3 1
   ATOM 1093 HZ1 . LYS A 49 ? -13.11670 44.74868 19.71295 1.000 61.37552 H ? A ? 48 HZ1 1
   ATOM 1094 HZ2 . LYS A 49 ? -12.73428 44.85099 18.31953 1.000 61.37552 H ? A ? 48 HZ2 1
   ATOM 1095 HZ3 . LYS A 49 ? -13.15378 43.57576 18.86370 1.000 61.37552 H ? A ? 48 HZ3 1
   ATOM 1096 H A LYS A 49 ? -6.62144 42.71611 15.46759 0.685 26.28604 H ? A ? 48 H 1
   ATOM 1097 H B LYS A 49 ? -6.67126 42.65080 15.47158 0.315 26.28604 H ? A ? 48 H 1
   ATOM 1098 N . THR A 50 ? -7.71411 40.25298 17.20053 1.000 20.80085 N ? A ? 49 N 1
   ATOM 1099 CA . THR A 50 ? -7.98282 38.90129 17.68421 1.000 22.07422 C ? A ? 49 CA 1
   ATOM 1100 C . THR A 50 ? -6.69603 38.19600 18.12695 1.000 20.36691 C ? A ? 49 C 1
   ATOM 1101 O . THR A 50 ? -6.64170 37.61947 19.21504 1.000 21.05241 O ? A ? 49 O 1
   ATOM 1102 CB . THR A 50 ? -8.63826 38.07299 16.58820 1.000 20.72845 C ? A ? 49 CB 1
   ATOM 1103 OG1 . THR A 50 ? -9.91135 38.64115 16.23630 1.000 26.24987 O ? A ? 49 OG1 1
   ATOM 1104 CG2 . THR A 50 ? -8.82069 36.64777 17.06595 1.000 24.83147 C ? A ? 49 CG2 1
   ATOM 1105 H . THR A 50 ? -7.94992 40.40429 16.38745 1.000 24.96182 H ? A ? 49 H 1
   ATOM 1106 HA . THR A 50 ? -8.58457 38.97323 18.44159 1.000 26.48986 H ? A ? 49 HA 1
   ATOM 1107 HB . THR A 50 ? -8.07666 38.06573 15.79734 1.000 24.87494 H ? A ? 49 HB 1
   ATOM 1108 HG1 . THR A 50 ? -10.35297 38.09401 15.77672 1.000 31.50065 H ? A ? 49 HG1 1
   ATOM 1109 HG21 . THR A 50 ? -9.47405 36.19311 16.51160 1.000 29.79857 H ? A ? 49 HG21 1
   ATOM 1110 HG22 . THR A 50 ? -7.97786 36.17034 17.01498 1.000 29.79857 H ? A ? 49 HG22 1
   ATOM 1111 HG23 . THR A 50 ? -9.13006 36.64307 17.98527 1.000 29.79857 H ? A ? 49 HG23 1
   ATOM 1112 N . LEU A 51 ? -5.65648 38.24870 17.29608 1.000 19.91584 N ? A ? 50 N 1
   ATOM 1113 CA . LEU A 51 ? -4.39448 37.58048 17.60484 1.000 18.13601 C ? A ? 50 CA 1
   ATOM 1114 C . LEU A 51 ? -3.77051 38.13503 18.84467 1.000 19.50680 C ? A ? 50 C 1
   ATOM 1115 O . LEU A 51 ? -3.17673 37.38208 19.64532 1.000 21.69746 O ? A ? 50 O 1
   ATOM 1116 CB . LEU A 51 ? -3.46822 37.66302 16.41474 1.000 20.67019 C ? A ? 50 CB 1
   ATOM 1117 CG . LEU A 51 ? -3.90955 37.07145 15.10443 1.000 16.81272 C ? A ? 50 CG 1
   ATOM 1118 CD1 . LEU A 51 ? -2.92965 37.38762 14.01779 1.000 24.12159 C ? A ? 50 CD1 1
   ATOM 1119 CD2 . LEU A 51 ? -4.01619 35.58651 15.30343 1.000 21.87148 C ? A ? 50 CD2 1
   ATOM 1120 H . LEU A 51 ? -5.65487 38.66600 16.54412 1.000 23.89981 H ? A ? 50 H 1
   ATOM 1121 HA . LEU A 51 ? -4.56059 36.63998 17.77445 1.000 21.76402 H ? A ? 50 HA 1
   ATOM 1122 HB2 . LEU A 51 ? -3.29432 38.60238 16.24662 1.000 24.80504 H ? A ? 50 HB2 1
   ATOM 1123 HB3 . LEU A 51 ? -2.64450 37.21111 16.65588 1.000 24.80504 H ? A ? 50 HB3 1
   ATOM 1124 HG . LEU A 51 ? -4.76270 37.43990 14.82643 1.000 20.17607 H ? A ? 50 HG 1
   ATOM 1125 HD11 . LEU A 51 ? -3.10923 36.81648 13.25460 1.000 28.94671 H ? A ? 50 HD11 1
   ATOM 1126 HD12 . LEU A 51 ? -3.02841 38.31877 13.76460 1.000 28.94671 H ? A ? 50 HD12 1
   ATOM 1127 HD13 . LEU A 51 ? -2.03114 37.22771 14.34645 1.000 28.94671 H ? A ? 50 HD13 1
   ATOM 1128 HD21 . LEU A 51 ? -4.20536 35.16628 14.44990 1.000 26.24658 H ? A ? 50 HD21 1
   ATOM 1129 HD22 . LEU A 51 ? -3.17624 35.25412 15.65684 1.000 26.24658 H ? A ? 50 HD22 1
   ATOM 1130 HD23 . LEU A 51 ? -4.73424 35.40250 15.92909 1.000 26.24658 H ? A ? 50 HD23 1
   ATOM 1131 N A SER A 52 ? -3.86717 39.46821 19.04435 0.625 18.88870 N ? A ? 51 N 1
   ATOM 1132 CA A SER A 52 ? -3.16160 40.12821 20.13696 0.625 19.92851 C ? A ? 51 CA 1
   ATOM 1133 C A SER A 52 ? -3.72476 39.80541 21.50724 0.625 20.40458 C ? A ? 51 C 1
   ATOM 1134 O A SER A 52 ? -3.09489 40.13676 22.52230 0.625 19.17929 O ? A ? 51 O 1
   ATOM 1135 CB A SER A 52 ? -3.21913 41.64189 19.91407 0.625 18.17946 C ? A ? 51 CB 1
   ATOM 1136 OG A SER A 52 ? -2.29579 41.99500 18.89326 0.625 21.44923 O ? A ? 51 OG 1
   ATOM 1137 H A SER A 52 ? -4.33547 40.00020 18.55723 0.625 22.66725 H ? A ? 51 H 1
   ATOM 1138 HA A SER A 52 ? -2.23740 39.83369 20.13238 0.625 23.91502 H ? A ? 51 HA 1
   ATOM 1139 HB2 A SER A 52 ? -4.11494 41.89434 19.64078 0.625 21.81615 H ? A ? 51 HB2 1
   ATOM 1140 HB3 A SER A 52 ? -2.98199 42.09871 20.73625 0.625 21.81615 H ? A ? 51 HB3 1
   ATOM 1141 HG A SER A 52 ? -1.51202 41.82610 19.14384 0.625 25.73988 H ? A ? 51 HG 1
   ATOM 1142 N B SER A 52 ? -3.85943 39.45835 19.01381 0.375 19.05052 N ? A ? 51 N 1
   ATOM 1143 CA B SER A 52 ? -3.13727 40.09708 20.09309 0.375 19.96987 C ? A ? 51 CA 1
   ATOM 1144 C B SER A 52 ? -3.63791 39.66665 21.46544 0.375 20.75288 C ? A ? 51 C 1
   ATOM 1145 O B SER A 52 ? -2.91427 39.84904 22.45062 0.375 20.02320 O ? A ? 51 O 1
   ATOM 1146 CB B SER A 52 ? -3.23025 41.62575 19.94914 0.375 18.02795 C ? A ? 51 CB 1
   ATOM 1147 OG B SER A 52 ? -4.57021 42.06068 20.04356 0.375 22.30430 O ? A ? 51 OG 1
   ATOM 1148 H B SER A 52 ? -4.32389 39.99005 18.52272 0.375 22.86143 H ? A ? 51 H 1
   ATOM 1149 HA B SER A 52 ? -2.20244 39.84512 20.03380 0.375 23.96465 H ? A ? 51 HA 1
   ATOM 1150 HB2 B SER A 52 ? -2.71316 42.04124 20.65687 0.375 21.63435 H ? A ? 51 HB2 1
   ATOM 1151 HB3 B SER A 52 ? -2.87528 41.88325 19.08392 0.375 21.63435 H ? A ? 51 HB3 1
   ATOM 1152 HG B SER A 52 ? -4.98631 41.86396 19.34088 0.375 26.76597 H ? A ? 51 HG 1
   ATOM 1153 N . ALA A 53 ? -4.86318 39.14808 21.56148 1.000 17.31223 N ? A ? 52 N 1
   ATOM 1154 CA . ALA A 53 ? -5.40952 38.69149 22.82426 1.000 19.72920 C ? A ? 52 CA 1
   ATOM 1155 C . ALA A 53 ? -4.99606 37.25302 23.16565 1.000 21.65117 C ? A ? 52 C 1
   ATOM 1156 O . ALA A 53 ? -5.25976 36.81000 24.28263 1.000 25.80240 O ? A ? 52 O 1
   ATOM 1157 CB . ALA A 53 ? -6.93451 38.76514 22.80535 1.000 21.28177 C ? A ? 52 CB 1
   ATOM 1158 HA . ALA A 53 ? -5.08588 39.28238 23.52212 1.000 23.67584 H ? A ? 52 HA 1
   ATOM 1159 HB1 . ALA A 53 ? -7.27581 38.46535 23.66240 1.000 25.53893 H ? A ? 52 HB1 1
   ATOM 1160 HB2 . ALA A 53 ? -7.20438 39.68285 22.64451 1.000 25.53893 H ? A ? 52 HB2 1
   ATOM 1161 HB3 . ALA A 53 ? -7.26956 38.19292 22.09739 1.000 25.53893 H ? A ? 52 HB3 1
   ATOM 1162 H A ALA A 53 ? -5.34405 38.95124 20.87619 0.625 20.77548 H ? A ? 52 H 1
   ATOM 1163 H B ALA A 53 ? -5.40008 39.05144 20.89664 0.375 20.77548 H ? A ? 52 H 1
   ATOM 1164 N . LEU A 54 ? -4.37874 36.52091 22.24160 1.000 17.73096 N ? A ? 53 N 1
   ATOM 1165 CA . LEU A 54 ? -4.11568 35.10491 22.41852 1.000 16.60831 C ? A ? 53 CA 1
   ATOM 1166 C . LEU A 54 ? -2.87619 34.64716 23.17633 1.000 19.80137 C ? A ? 53 C 1
   ATOM 1167 O . LEU A 54 ? -2.95913 33.62409 23.86123 1.000 18.08634 O ? A ? 53 O 1
   ATOM 1168 CB . LEU A 54 ? -4.15319 34.39774 21.07726 1.000 18.85183 C ? A ? 53 CB 1
   ATOM 1169 CG . LEU A 54 ? -5.46722 34.54453 20.28297 1.000 21.48605 C ? A ? 53 CG 1
   ATOM 1170 CD1 . LEU A 54 ? -5.32414 33.84133 18.94299 1.000 23.79576 C ? A ? 53 CD1 1
   ATOM 1171 CD2 . LEU A 54 ? -6.65925 33.99032 21.01078 1.000 20.81176 C ? A ? 53 CD2 1
   ATOM 1172 H . LEU A 54 ? -4.09864 36.83141 21.49011 1.000 21.27796 H ? A ? 53 H 1
   ATOM 1173 HA . LEU A 54 ? -4.82675 34.84676 23.02567 1.000 19.93078 H ? A ? 53 HA 1
   ATOM 1174 HB2 . LEU A 54 ? -3.44034 34.75529 20.52508 1.000 22.62300 H ? A ? 53 HB2 1
   ATOM 1175 HB3 . LEU A 54 ? -4.01171 33.45021 21.22915 1.000 22.62300 H ? A ? 53 HB3 1
   ATOM 1176 HG . LEU A 54 ? -5.63211 35.49211 20.15730 1.000 25.78406 H ? A ? 53 HG 1
   ATOM 1177 HD11 . LEU A 54 ? -6.11762 34.01041 18.41129 1.000 28.55572 H ? A ? 53 HD11 1
   ATOM 1178 HD12 . LEU A 54 ? -4.54071 34.18676 18.48713 1.000 28.55572 H ? A ? 53 HD12 1
   ATOM 1179 HD13 . LEU A 54 ? -5.22492 32.88852 19.09537 1.000 28.55572 H ? A ? 53 HD13 1
   ATOM 1180 HD21 . LEU A 54 ? -7.41543 33.96347 20.40384 1.000 24.97491 H ? A ? 53 HD21 1
   ATOM 1181 HD22 . LEU A 54 ? -6.45183 33.09484 21.32061 1.000 24.97491 H ? A ? 53 HD22 1
   ATOM 1182 HD23 . LEU A 54 ? -6.86209 34.56321 21.76679 1.000 24.97491 H ? A ? 53 HD23 1
   ATOM 1183 N . PRO A 55 ? -1.73279 35.30187 23.07192 1.000 17.38850 N ? A ? 54 N 1
   ATOM 1184 CA . PRO A 55 ? -0.53103 34.69583 23.68294 1.000 15.75531 C ? A ? 54 CA 1
   ATOM 1185 C . PRO A 55 ? -0.63854 34.57097 25.18810 1.000 18.40255 C ? A ? 54 C 1
   ATOM 1186 O . PRO A 55 ? -0.03996 33.63093 25.73197 1.000 19.81874 O ? A ? 54 O 1
   ATOM 1187 CB . PRO A 55 ? 0.57964 35.65310 23.26198 1.000 18.10989 C ? A ? 54 CB 1
   ATOM 1188 CG . PRO A 55 ? 0.07177 36.28093 22.01622 1.000 18.70719 C ? A ? 54 CG 1
   ATOM 1189 CD . PRO A 55 ? -1.40161 36.51634 22.29853 1.000 18.10429 C ? A ? 54 CD 1
   ATOM 1190 HA . PRO A 55 ? -0.35461 33.82112 23.30261 1.000 18.90718 H ? A ? 54 HA 1
   ATOM 1191 HB2 . PRO A 55 ? 0.72627 36.31736 23.95347 1.000 21.73267 H ? A ? 54 HB2 1
   ATOM 1192 HB3 . PRO A 55 ? 1.39858 35.16037 23.09628 1.000 21.73267 H ? A ? 54 HB3 1
   ATOM 1193 HG2 . PRO A 55 ? 0.53462 37.11700 21.84994 1.000 22.44943 H ? A ? 54 HG2 1
   ATOM 1194 HG3 . PRO A 55 ? 0.19285 35.67955 21.26484 1.000 22.44943 H ? A ? 54 HG3 1
   ATOM 1195 HD2 . PRO A 55 ? -1.53797 37.31988 22.82448 1.000 21.72596 H ? A ? 54 HD2 1
   ATOM 1196 HD3 . PRO A 55 ? -1.91649 36.56559 21.47793 1.000 21.72596 H ? A ? 54 HD3 1
   ATOM 1197 N . TRP A 56 ? -1.33228 35.47581 25.90191 1.000 18.92035 N ? A ? 55 N 1
   ATOM 1198 CA . TRP A 56 ? -1.10875 35.65213 27.33994 1.000 18.03938 C ? A ? 55 CA 1
   ATOM 1199 C . TRP A 56 ? -1.61297 34.45920 28.12669 1.000 19.37034 C ? A ? 55 C 1
   ATOM 1200 O . TRP A 56 ? -0.99721 34.08835 29.12619 1.000 21.76016 O ? A ? 55 O 1
   ATOM 1201 CB . TRP A 56 ? -1.62634 37.04014 27.81184 1.000 18.40771 C ? A ? 55 CB 1
   ATOM 1202 CG . TRP A 56 ? -1.40673 38.02613 26.69677 1.000 21.29491 C ? A ? 55 CG 1
   ATOM 1203 CD1 . TRP A 56 ? -2.38029 38.66330 25.96027 1.000 20.56078 C ? A ? 55 CD1 1
   ATOM 1204 CD2 . TRP A 56 ? -0.15215 38.36047 26.09397 1.000 17.27316 C ? A ? 55 CD2 1
   ATOM 1205 NE1 . TRP A 56 ? -1.79630 39.35426 24.93490 1.000 20.17957 N ? A ? 55 NE1 1
   ATOM 1206 CE2 . TRP A 56 ? -0.43571 39.17534 24.98662 1.000 21.05394 C ? A ? 55 CE2 1
   ATOM 1207 CE3 . TRP A 56 ? 1.18138 37.99280 26.34604 1.000 19.69986 C ? A ? 55 CE3 1
   ATOM 1208 CZ2 . TRP A 56 ? 0.55686 39.66565 24.17740 1.000 20.29983 C ? A ? 55 CZ2 1
   ATOM 1209 CZ3 . TRP A 56 ? 2.14726 38.48257 25.53629 1.000 21.15261 C ? A ? 55 CZ3 1
   ATOM 1210 CH2 . TRP A 56 ? 1.82808 39.29888 24.45946 1.000 19.28112 C ? A ? 55 CH2 1
   ATOM 1211 H . TRP A 56 ? -1.93447 35.99596 25.57572 1.000 22.70522 H ? A ? 55 H 1
   ATOM 1212 HA . TRP A 56 ? -0.15863 35.68475 27.53258 1.000 21.64806 H ? A ? 55 HA 1
   ATOM 1213 HB2 . TRP A 56 ? -2.57393 36.99164 28.01337 1.000 22.09005 H ? A ? 55 HB2 1
   ATOM 1214 HB3 . TRP A 56 ? -1.13477 37.33017 28.59615 1.000 22.09005 H ? A ? 55 HB3 1
   ATOM 1215 HD1 . TRP A 56 ? -3.29339 38.62901 26.13339 1.000 24.67374 H ? A ? 55 HD1 1
   ATOM 1216 HE1 . TRP A 56 ? -2.21479 39.82611 24.35024 1.000 24.21629 H ? A ? 55 HE1 1
   ATOM 1217 HE3 . TRP A 56 ? 1.39395 37.42655 27.05249 1.000 23.64064 H ? A ? 55 HE3 1
   ATOM 1218 HZ2 . TRP A 56 ? 0.36365 40.22834 23.46260 1.000 24.36060 H ? A ? 55 HZ2 1
   ATOM 1219 HZ3 . TRP A 56 ? 3.03714 38.26982 25.70285 1.000 25.38394 H ? A ? 55 HZ3 1
   ATOM 1220 HH2 . TRP A 56 ? 2.51416 39.60509 23.91135 1.000 23.13814 H ? A ? 55 HH2 1
   ATOM 1221 N . ALA A 57 ? -2.68973 33.81391 27.67608 1.000 19.58863 N ? A ? 56 N 1
   ATOM 1222 CA . ALA A 57 ? -3.22910 32.66615 28.38471 1.000 20.92375 C ? A ? 56 CA 1
   ATOM 1223 C . ALA A 57 ? -2.33668 31.44562 28.25068 1.000 20.77446 C ? A ? 56 C 1
   ATOM 1224 O . ALA A 57 ? -2.62752 30.41398 28.89236 1.000 22.18425 O ? A ? 56 O 1
   ATOM 1225 CB . ALA A 57 ? -4.62782 32.32861 27.86998 1.000 21.48691 C ? A ? 56 CB 1
   ATOM 1226 H . ALA A 57 ? -3.12200 34.02445 26.96305 1.000 23.50716 H ? A ? 56 H 1
   ATOM 1227 HA . ALA A 57 ? -3.30958 32.89185 29.32465 1.000 25.10931 H ? A ? 56 HA 1
   ATOM 1228 HB1 . ALA A 57 ? -4.94237 31.52551 28.31381 1.000 25.78510 H ? A ? 56 HB1 1
   ATOM 1229 HB2 . ALA A 57 ? -5.22328 33.06910 28.06494 1.000 25.78510 H ? A ? 56 HB2 1
   ATOM 1230 HB3 . ALA A 57 ? -4.58495 32.18198 26.91209 1.000 25.78510 H ? A ? 56 HB3 1
   ATOM 1231 N . ALA A 58 ? -1.33117 31.49734 27.38342 1.000 19.23767 N ? A ? 57 N 1
   ATOM 1232 CA . ALA A 58 ? -0.38267 30.40762 27.21432 1.000 20.53522 C ? A ? 57 CA 1
   ATOM 1233 C . ALA A 58 ? 0.89433 30.65075 27.99388 1.000 18.72325 C ? A ? 57 C 1
   ATOM 1234 O . ALA A 58 ? 1.89123 29.95342 27.76199 1.000 21.11242 O ? A ? 57 O 1
   ATOM 1235 CB . ALA A 58 ? -0.08878 30.20525 25.73501 1.000 19.94843 C ? A ? 57 CB 1
   ATOM 1236 H . ALA A 58 ? -1.17574 32.16993 26.87053 1.000 23.08601 H ? A ? 57 H 1
   ATOM 1237 HA . ALA A 58 ? -0.77231 29.58199 27.54206 1.000 24.64307 H ? A ? 57 HA 1
   ATOM 1238 HB1 . ALA A 58 ? 0.64088 29.57298 25.64161 1.000 23.93893 H ? A ? 57 HB1 1
   ATOM 1239 HB2 . ALA A 58 ? -0.88367 29.85972 25.29950 1.000 23.93893 H ? A ? 57 HB2 1
   ATOM 1240 HB3 . ALA A 58 ? 0.15941 31.05706 25.34293 1.000 23.93893 H ? A ? 57 HB3 1
   ATOM 1241 N . PHE A 59 ? 0.92454 31.64821 28.87486 1.000 20.22794 N ? A ? 58 N 1
   ATOM 1242 CA . PHE A 59 ? 1.97619 31.79832 29.87189 1.000 23.12593 C ? A ? 58 CA 1
   ATOM 1243 C . PHE A 59 ? 1.45770 31.42699 31.26050 1.000 25.59146 C ? A ? 58 C 1
   ATOM 1244 O . PHE A 59 ? 1.76686 32.08114 32.24643 1.000 27.98100 O ? A ? 58 O 1
   ATOM 1245 CB . PHE A 59 ? 2.54373 33.22389 29.89992 1.000 22.46843 C ? A ? 58 CB 1
   ATOM 1246 CG . PHE A 59 ? 3.26737 33.65433 28.66035 1.000 22.43348 C ? A ? 58 CG 1
   ATOM 1247 CD1 . PHE A 59 ? 2.61326 34.20851 27.56758 1.000 19.63857 C ? A ? 58 CD1 1
   ATOM 1248 CD2 . PHE A 59 ? 4.65816 33.52768 28.57453 1.000 23.24584 C ? A ? 58 CD2 1
   ATOM 1249 CE1 . PHE A 59 ? 3.27892 34.59292 26.44235 1.000 20.31505 C ? A ? 58 CE1 1
   ATOM 1250 CE2 . PHE A 59 ? 5.34029 33.91527 27.45394 1.000 23.09550 C ? A ? 58 CE2 1
   ATOM 1251 CZ . PHE A 59 ? 4.65232 34.47913 26.37541 1.000 22.93180 C ? A ? 58 CZ 1
   ATOM 1252 H . PHE A 59 ? 0.32839 32.26684 28.91363 1.000 24.27433 H ? A ? 58 H 1
   ATOM 1253 HA . PHE A 59 ? 2.70178 31.20258 29.62795 1.000 27.75192 H ? A ? 58 HA 1
   ATOM 1254 HB2 . PHE A 59 ? 1.80870 33.84237 30.03451 1.000 26.96293 H ? A ? 58 HB2 1
   ATOM 1255 HB3 . PHE A 59 ? 3.17073 33.28828 30.63723 1.000 26.96293 H ? A ? 58 HB3 1
   ATOM 1256 HD1 . PHE A 59 ? 1.69084 34.32091 27.60502 1.000 23.56709 H ? A ? 58 HD1 1
   ATOM 1257 HD2 . PHE A 59 ? 5.12847 33.17272 29.29406 1.000 27.89582 H ? A ? 58 HD2 1
   ATOM 1258 HE1 . PHE A 59 ? 2.80604 34.93301 25.71735 1.000 24.37887 H ? A ? 58 HE1 1
   ATOM 1259 HE2 . PHE A 59 ? 6.26249 33.80359 27.40953 1.000 27.71540 H ? A ? 58 HE2 1
   ATOM 1260 HZ . PHE A 59 ? 5.11384 34.77333 25.62351 1.000 27.51897 H ? A ? 58 HZ 1
   ATOM 1261 N . GLY A 60 ? 0.64482 30.38524 31.34346 1.000 25.67151 N ? A ? 59 N 1
   ATOM 1262 CA . GLY A 60 ? 0.05859 29.99368 32.59568 1.000 33.18384 C ? A ? 59 CA 1
   ATOM 1263 C . GLY A 60 ? 1.09646 29.49152 33.57791 1.000 37.42610 C ? A ? 59 C 1
   ATOM 1264 O . GLY A 60 ? 2.24586 29.23331 33.21327 1.000 31.56558 O ? A ? 59 O 1
   ATOM 1265 H . GLY A 60 ? 0.42008 29.88943 30.67768 1.000 30.80662 H ? A ? 59 H 1
   ATOM 1266 HA2 . GLY A 60 ? -0.39533 30.75438 32.99090 1.000 39.82142 H ? A ? 59 HA2 1
   ATOM 1267 HA3 . GLY A 60 ? -0.58656 29.28578 32.44215 1.000 39.82142 H ? A ? 59 HA3 1
   ATOM 1268 N . PRO A 61 ? 0.71096 29.33576 34.84182 1.000 37.16802 N ? A ? 60 N 1
   ATOM 1269 CA . PRO A 61 ? 1.65548 28.80846 35.83523 1.000 42.43157 C ? A ? 60 CA 1
   ATOM 1270 C . PRO A 61 ? 2.26544 27.49945 35.36706 1.000 38.86561 C ? A ? 60 C 1
   ATOM 1271 O . PRO A 61 ? 1.56900 26.60062 34.89417 1.000 36.91154 O ? A ? 60 O 1
   ATOM 1272 CB . PRO A 61 ? 0.80047 28.62396 37.09640 1.000 49.42273 C ? A ? 60 CB 1
   ATOM 1273 CG . PRO A 61 ? -0.62824 28.72239 36.64958 1.000 45.16550 C ? A ? 60 CG 1
   ATOM 1274 CD . PRO A 61 ? -0.64055 29.54024 35.39127 1.000 45.68178 C ? A ? 60 CD 1
   ATOM 1275 HA . PRO A 61 ? 2.35558 29.45439 36.01837 1.000 50.91869 H ? A ? 60 HA 1
   ATOM 1276 HB2 . PRO A 61 ? 0.97878 27.75377 37.48611 1.000 59.30808 H ? A ? 60 HB2 1
   ATOM 1277 HB3 . PRO A 61 ? 1.00874 29.32288 37.73596 1.000 59.30808 H ? A ? 60 HB3 1
   ATOM 1278 HG2 . PRO A 61 ? -0.97455 27.83251 36.47903 1.000 54.19941 H ? A ? 60 HG2 1
   ATOM 1279 HG3 . PRO A 61 ? -1.15292 29.15573 37.34083 1.000 54.19941 H ? A ? 60 HG3 1
   ATOM 1280 HD2 . PRO A 61 ? -1.31634 29.21627 34.77545 1.000 54.81895 H ? A ? 60 HD2 1
   ATOM 1281 HD3 . PRO A 61 ? -0.79447 30.47714 35.58986 1.000 54.81895 H ? A ? 60 HD3 1
   ATOM 1282 N . GLY A 62 ? 3.58496 27.40893 35.49127 1.000 44.90561 N ? A ? 61 N 1
   ATOM 1283 CA . GLY A 62 ? 4.30903 26.19670 35.18684 1.000 37.85622 C ? A ? 61 CA 1
   ATOM 1284 C . GLY A 62 ? 4.76463 26.05886 33.75401 1.000 41.70070 C ? A ? 61 C 1
   ATOM 1285 O . GLY A 62 ? 5.48757 25.10653 33.44697 1.000 37.22308 O ? A ? 61 O 1
   ATOM 1286 H . GLY A 62 ? 4.08839 28.05381 35.75641 1.000 53.88753 H ? A ? 61 H 1
   ATOM 1287 HA2 . GLY A 62 ? 5.09730 26.15812 35.75079 1.000 45.42827 H ? A ? 61 HA2 1
   ATOM 1288 HA3 . GLY A 62 ? 3.73921 25.43798 35.38823 1.000 45.42827 H ? A ? 61 HA3 1
   ATOM 1289 N . THR A 63 ? 4.37480 26.97640 32.86557 1.000 33.84809 N ? A ? 62 N 1
   ATOM 1290 CA . THR A 63 ? 4.72568 26.87866 31.45576 1.000 33.17321 C ? A ? 62 CA 1
   ATOM 1291 C . THR A 63 ? 6.03944 27.55155 31.13211 1.000 26.66975 C ? A ? 62 C 1
   ATOM 1292 O . THR A 63 ? 6.24989 27.98232 29.99060 1.000 22.42776 O ? A ? 62 O 1
   ATOM 1293 CB . THR A 63 ? 3.59815 27.42078 30.57806 1.000 28.58511 C ? A ? 62 CB 1
   ATOM 1294 OG1 . THR A 63 ? 3.40672 28.82363 30.81846 1.000 26.62448 O ? A ? 62 OG1 1
   ATOM 1295 CG2 . THR A 63 ? 2.32447 26.68372 30.87481 1.000 23.69532 C ? A ? 62 CG2 1
   ATOM 1296 H . THR A 63 ? 3.90287 27.66811 33.06158 1.000 40.61851 H ? A ? 62 H 1
   ATOM 1297 HA . THR A 63 ? 4.82408 25.93863 31.23769 1.000 39.80866 H ? A ? 62 HA 1
   ATOM 1298 HB . THR A 63 ? 3.82687 27.29598 29.64371 1.000 34.30294 H ? A ? 62 HB 1
   ATOM 1299 HG1 . THR A 63 ? 2.76830 29.11024 30.35384 1.000 31.95018 H ? A ? 62 HG1 1
   ATOM 1300 HG21 . THR A 63 ? 1.63279 26.95159 30.24972 1.000 28.43519 H ? A ? 62 HG21 1
   ATOM 1301 HG22 . THR A 63 ? 2.46801 25.72774 30.79479 1.000 28.43519 H ? A ? 62 HG22 1
   ATOM 1302 HG23 . THR A 63 ? 2.02815 26.88315 31.77665 1.000 28.43519 H ? A ? 62 HG23 1
   ATOM 1303 N A GLU A 64 ? 6.95334 27.62874 32.10708 0.598 29.95569 N ? A ? 63 N 1
   ATOM 1304 CA A GLU A 64 ? 8.29905 28.09348 31.82976 0.598 26.83558 C ? A ? 63 CA 1
   ATOM 1305 C A GLU A 64 ? 8.84797 27.37590 30.60719 0.598 25.94302 C ? A ? 63 C 1
   ATOM 1306 O A GLU A 64 ? 8.63142 26.17604 30.42877 0.598 25.42254 O ? A ? 63 O 1
   ATOM 1307 CB A GLU A 64 ? 9.21327 27.77042 33.01202 0.598 26.46614 C ? A ? 63 CB 1
   ATOM 1308 CG A GLU A 64 ? 9.27510 28.81576 34.08593 0.598 25.23491 C ? A ? 63 CG 1
   ATOM 1309 CD A GLU A 64 ? 8.06963 28.83365 35.01165 0.598 22.29119 C ? A ? 63 CD 1
   ATOM 1310 OE1 A GLU A 64 ? 7.14509 28.02082 34.87949 0.598 25.85906 O ? A ? 63 OE1 1
   ATOM 1311 OE2 A GLU A 64 ? 8.06900 29.71983 35.88489 0.598 28.29089 O ? A ? 63 OE2 1
   ATOM 1312 H A GLU A 64 ? 6.81214 27.41755 32.92870 0.598 35.94763 H ? A ? 63 H 1
   ATOM 1313 HA A GLU A 64 ? 8.28354 29.05174 31.68008 0.598 32.20350 H ? A ? 63 HA 1
   ATOM 1314 HB2 A GLU A 64 ? 8.89951 26.95071 33.42497 0.598 31.76018 H ? A ? 63 HB2 1
   ATOM 1315 HB3 A GLU A 64 ? 10.11493 27.64849 32.67578 0.598 31.76018 H ? A ? 63 HB3 1
   ATOM 1316 HG2 A GLU A 64 ? 10.06112 28.65438 34.63093 0.598 30.28269 H ? A ? 63 HG2 1
   ATOM 1317 HG3 A GLU A 64 ? 9.33572 29.68822 33.66636 0.598 30.28269 H ? A ? 63 HG3 1
   ATOM 1318 N B GLU A 64 ? 6.93982 27.65501 32.09989 0.402 29.96118 N ? A ? 63 N 1
   ATOM 1319 CA B GLU A 64 ? 8.27282 28.16033 31.83032 0.402 26.96488 C ? A ? 63 CA 1
   ATOM 1320 C B GLU A 64 ? 8.91397 27.37770 30.68489 0.402 26.13769 C ? A ? 63 C 1
   ATOM 1321 O B GLU A 64 ? 8.77199 26.15716 30.59155 0.402 26.31541 O ? A ? 63 O 1
   ATOM 1322 CB B GLU A 64 ? 9.07814 28.05907 33.13076 0.402 29.03073 C ? A ? 63 CB 1
   ATOM 1323 CG B GLU A 64 ? 8.51179 28.91168 34.31650 0.402 30.30197 C ? A ? 63 CG 1
   ATOM 1324 CD B GLU A 64 ? 7.24825 28.37640 34.97944 0.402 23.82298 C ? A ? 63 CD 1
   ATOM 1325 OE1 B GLU A 64 ? 6.96387 27.16984 34.87141 0.402 29.83531 O ? A ? 63 OE1 1
   ATOM 1326 OE2 B GLU A 64 ? 6.55119 29.16763 35.65553 0.402 24.52692 O ? A ? 63 OE2 1
   ATOM 1327 H B GLU A 64 ? 6.80257 27.43889 32.92090 0.402 35.95422 H ? A ? 63 H 1
   ATOM 1328 HA B GLU A 64 ? 8.26143 29.08836 31.54829 0.402 32.35866 H ? A ? 63 HA 1
   ATOM 1329 HB2 B GLU A 64 ? 9.08848 27.13197 33.41585 0.402 34.83768 H ? A ? 63 HB2 1
   ATOM 1330 HB3 B GLU A 64 ? 9.98289 28.36309 32.95783 0.402 34.83768 H ? A ? 63 HB3 1
   ATOM 1331 HG2 B GLU A 64 ? 9.19408 28.96700 35.00376 0.402 36.36317 H ? A ? 63 HG2 1
   ATOM 1332 HG3 B GLU A 64 ? 8.30559 29.79836 33.98159 0.402 36.36317 H ? A ? 63 HG3 1
   ATOM 1333 N . GLY A 65 ? 9.56327 28.09614 29.78105 1.000 24.66871 N ? A ? 64 N 1
   ATOM 1334 CA . GLY A 65 ? 10.21995 27.49671 28.63950 1.000 23.71550 C ? A ? 64 CA 1
   ATOM 1335 C . GLY A 65 ? 10.34667 28.48846 27.49859 1.000 21.55337 C ? A ? 64 C 1
   ATOM 1336 O . GLY A 65 ? 10.01577 29.67589 27.62353 1.000 23.44491 O ? A ? 64 O 1
   ATOM 1337 HA2 . GLY A 65 ? 11.10795 27.19946 28.89248 1.000 28.45941 H ? A ? 64 HA2 1
   ATOM 1338 HA3 . GLY A 65 ? 9.70713 26.73312 28.33152 1.000 28.45941 H ? A ? 64 HA3 1
   ATOM 1339 H A GLY A 65 ? 9.68791 28.94370 29.85653 0.598 29.60325 H ? A ? 64 H 1
   ATOM 1340 H B GLY A 65 ? 9.63766 28.95242 29.81025 0.402 29.60325 H ? A ? 64 H 1
   ATOM 1341 N . GLY A 66 ? 10.85000 27.99897 26.37159 1.000 23.73334 N ? A ? 65 N 1
   ATOM 1342 CA . GLY A 66 ? 11.03466 28.86064 25.21266 1.000 24.29137 C ? A ? 65 CA 1
   ATOM 1343 C . GLY A 66 ? 12.01820 29.98295 25.48635 1.000 27.01221 C ? A ? 65 C 1
   ATOM 1344 O . GLY A 66 ? 13.01320 29.81536 26.20848 1.000 26.02308 O ? A ? 65 O 1
   ATOM 1345 H . GLY A 66 ? 11.08989 27.18173 26.25254 1.000 28.48081 H ? A ? 65 H 1
   ATOM 1346 HA2 . GLY A 66 ? 11.36908 28.33436 24.46963 1.000 29.15045 H ? A ? 65 HA2 1
   ATOM 1347 HA3 . GLY A 66 ? 10.18323 29.25308 24.96376 1.000 29.15045 H ? A ? 65 HA3 1
   ATOM 1348 N . ASP A 67 ? 11.76499 31.14747 24.88042 1.000 26.36004 N ? A ? 66 N 1
   ATOM 1349 CA . ASP A 67 ? 12.55838 32.34388 25.11144 1.000 30.47608 C ? A ? 66 CA 1
   ATOM 1350 C . ASP A 67 ? 11.93338 33.24751 26.17021 1.000 27.11337 C ? A ? 66 C 1
   ATOM 1351 O . ASP A 67 ? 12.27892 34.42967 26.23908 1.000 28.19848 O ? A ? 66 O 1
   ATOM 1352 CB . ASP A 67 ? 12.74991 33.14303 23.81353 1.000 31.20293 C ? A ? 66 CB 1
   ATOM 1353 CG . ASP A 67 ? 13.35852 32.34368 22.68657 1.000 36.84634 C ? A ? 66 CG 1
   ATOM 1354 OD1 . ASP A 67 ? 14.37185 31.63918 22.90976 1.000 35.49802 O ? A ? 66 OD1 1
   ATOM 1355 OD2 . ASP A 67 ? 12.81893 32.41112 21.55340 1.000 31.71322 O ? A ? 66 OD2 1
   ATOM 1356 H . ASP A 67 ? 11.12331 31.26514 24.32005 1.000 31.63286 H ? A ? 66 H 1
   ATOM 1357 HA . ASP A 67 ? 13.43466 32.05988 25.41537 1.000 36.57210 H ? A ? 66 HA 1
   ATOM 1358 HB2 . ASP A 67 ? 11.88462 33.46331 23.51423 1.000 37.44432 H ? A ? 66 HB2 1
   ATOM 1359 HB3 . ASP A 67 ? 13.33737 33.89362 23.99356 1.000 37.44432 H ? A ? 66 HB3 1
   ATOM 1360 N . ALA A 68 ? 10.97776 32.73725 26.93642 1.000 26.28951 N ? A ? 67 N 1
   ATOM 1361 CA . ALA A 68 ? 10.34573 33.49883 28.00039 1.000 33.71258 C ? A ? 67 CA 1
   ATOM 1362 C . ALA A 68 ? 11.32113 33.62725 29.16313 1.000 34.24168 C ? A ? 67 C 1
   ATOM 1363 O . ALA A 68 ? 11.89317 32.63282 29.60693 1.000 29.79751 O ? A ? 67 O 1
   ATOM 1364 CB . ALA A 68 ? 9.06673 32.78870 28.43561 1.000 26.32043 C ? A ? 67 CB 1
   ATOM 1365 H . ALA A 68 ? 10.67305 31.93693 26.85746 1.000 31.54822 H ? A ? 67 H 1
   ATOM 1366 HA . ALA A 68 ? 10.11707 34.39032 27.69404 1.000 40.45590 H ? A ? 67 HA 1
   ATOM 1367 HB1 . ALA A 68 ? 8.66078 33.28654 29.16242 1.000 31.58532 H ? A ? 67 HB1 1
   ATOM 1368 HB2 . ALA A 68 ? 8.45696 32.74658 27.68242 1.000 31.58532 H ? A ? 67 HB2 1
   ATOM 1369 HB3 . ALA A 68 ? 9.28855 31.89217 28.73215 1.000 31.58532 H ? A ? 67 HB3 1
   ATOM 1370 N . ARG A 69 ? 11.53786 34.83683 29.65034 1.000 27.41951 N ? A ? 68 N 1
   ATOM 1371 CA . ARG A 69 ? 12.37545 34.99627 30.82982 1.000 26.88813 C ? A ? 68 CA 1
   ATOM 1372 C . ARG A 69 ? 11.58256 34.56800 32.05558 1.000 25.63022 C ? A ? 68 C 1
   ATOM 1373 O . ARG A 69 ? 10.36188 34.67625 32.07396 1.000 29.28843 O ? A ? 68 O 1
   ATOM 1374 CB . ARG A 69 ? 12.85511 36.45232 30.97471 1.000 24.94734 C ? A ? 68 CB 1
   ATOM 1375 CG . ARG A 69 ? 14.02419 36.81426 30.06161 1.000 35.48617 C ? A ? 68 CG 1
   ATOM 1376 CD . ARG A 69 ? 14.56422 38.21006 30.37711 1.000 33.05068 C ? A ? 68 CD 1
   ATOM 1377 NE . ARG A 69 ? 14.92057 38.35963 31.78302 1.000 61.41142 N ? A ? 68 NE 1
   ATOM 1378 CZ . ARG A 69 ? 15.19095 39.52078 32.36790 1.000 67.61515 C ? A ? 68 CZ 1
   ATOM 1379 NH1 . ARG A 69 ? 15.13609 40.66407 31.69970 1.000 66.21033 N ? A ? 68 NH1 1
   ATOM 1380 NH2 . ARG A 69 ? 15.51542 39.53819 33.65850 1.000 60.12257 N ? A ? 68 NH2 1
   ATOM 1381 H . ARG A 69 ? 11.22005 35.56718 29.32602 1.000 32.90422 H ? A ? 68 H 1
   ATOM 1382 HA . ARG A 69 ? 13.16890 34.44317 30.75622 1.000 32.26656 H ? A ? 68 HA 1
   ATOM 1383 HB2 . ARG A 69 ? 12.11815 37.04530 30.75985 1.000 29.93761 H ? A ? 68 HB2 1
   ATOM 1384 HB3 . ARG A 69 ? 13.14039 36.59603 31.89060 1.000 29.93761 H ? A ? 68 HB3 1
   ATOM 1385 HG2 . ARG A 69 ? 14.74141 36.17339 30.18731 1.000 42.58420 H ? A ? 68 HG2 1
   ATOM 1386 HG3 . ARG A 69 ? 13.72718 36.80291 29.13827 1.000 42.58420 H ? A ? 68 HG3 1
   ATOM 1387 HD2 . ARG A 69 ? 15.35930 38.37131 29.84537 1.000 39.66163 H ? A ? 68 HD2 1
   ATOM 1388 HD3 . ARG A 69 ? 13.88468 38.86932 30.16616 1.000 39.66163 H ? A ? 68 HD3 1
   ATOM 1389 HE . ARG A 69 ? 14.95815 37.64871 32.26549 1.000 73.69451 H ? A ? 68 HE 1
   ATOM 1390 HH11 . ARG A 69 ? 14.92132 40.66554 30.86695 1.000 79.45320 H ? A ? 68 HH11 1
   ATOM 1391 HH12 . ARG A 69 ? 15.31526 41.40445 32.09887 1.000 79.45320 H ? A ? 68 HH12 1
   ATOM 1392 HH21 . ARG A 69 ? 15.54807 38.80308 34.10363 1.000 72.14789 H ? A ? 68 HH21 1
   ATOM 1393 HH22 . ARG A 69 ? 15.69244 40.28456 34.04734 1.000 72.14789 H ? A ? 68 HH22 1
   ATOM 1394 N . PRO A 70 ? 12.23718 34.01193 33.07536 1.000 39.21210 N ? A ? 69 N 1
   ATOM 1395 CA . PRO A 70 ? 11.47153 33.53886 34.23713 1.000 25.49334 C ? A ? 69 CA 1
   ATOM 1396 C . PRO A 70 ? 10.73393 34.61589 35.01520 1.000 34.72065 C ? A ? 69 C 1
   ATOM 1397 O . PRO A 70 ? 9.81356 34.30304 35.77643 1.000 34.25491 O ? A ? 69 O 1
   ATOM 1398 CB . PRO A 70 ? 12.51344 32.79755 35.09959 1.000 38.66644 C ? A ? 69 CB 1
   ATOM 1399 CG . PRO A 70 ? 13.85002 33.24740 34.57729 1.000 37.01668 C ? A ? 69 CG 1
   ATOM 1400 CD . PRO A 70 ? 13.65628 33.61982 33.13923 1.000 42.64524 C ? A ? 69 CD 1
   ATOM 1401 HA . PRO A 70 ? 10.81387 32.89539 33.93000 1.000 30.59281 H ? A ? 69 HA 1
   ATOM 1402 HB2 . PRO A 70 ? 12.40492 33.04406 36.03145 1.000 46.40053 H ? A ? 69 HB2 1
   ATOM 1403 HB3 . PRO A 70 ? 12.40548 31.83925 34.99519 1.000 46.40053 H ? A ? 69 HB3 1
   ATOM 1404 HG2 . PRO A 70 ? 14.15440 34.01376 35.08812 1.000 44.42082 H ? A ? 69 HG2 1
   ATOM 1405 HG3 . PRO A 70 ? 14.48814 32.52117 34.65661 1.000 44.42082 H ? A ? 69 HG3 1
   ATOM 1406 HD2 . PRO A 70 ? 14.23044 34.36255 32.89513 1.000 51.17510 H ? A ? 69 HD2 1
   ATOM 1407 HD3 . PRO A 70 ? 13.83073 32.86139 32.56022 1.000 51.17510 H ? A ? 69 HD3 1
   ATOM 1408 N . GLU A 71 ? 11.09295 35.88189 34.84753 1.000 33.45042 N ? A ? 70 N 1
   ATOM 1409 CA . GLU A 71 ? 10.40798 36.95032 35.56841 1.000 38.78366 C ? A ? 70 CA 1
   ATOM 1410 C . GLU A 71 ? 8.93586 37.09448 35.18110 1.000 37.84252 C ? A ? 70 C 1
   ATOM 1411 O . GLU A 71 ? 8.16818 37.67852 35.95360 1.000 33.55050 O ? A ? 70 O 1
   ATOM 1412 CB . GLU A 71 ? 11.18948 38.24903 35.35744 1.000 38.60442 C ? A ? 70 CB 1
   ATOM 1413 CG . GLU A 71 ? 12.57549 38.22926 36.04302 1.000 39.87178 C ? A ? 70 CG 1
   ATOM 1414 CD . GLU A 71 ? 13.64084 37.34865 35.37786 1.000 43.64868 C ? A ? 70 CD 1
   ATOM 1415 OE1 . GLU A 71 ? 13.54507 37.00819 34.18202 1.000 42.57734 O ? A ? 70 OE1 1
   ATOM 1416 OE2 . GLU A 71 ? 14.61814 37.00852 36.07700 1.000 49.07267 O ? A ? 70 OE2 1
   ATOM 1417 H . GLU A 71 ? 11.72377 36.14904 34.32763 1.000 40.14131 H ? A ? 70 H 1
   ATOM 1418 HA . GLU A 71 ? 10.39820 36.75506 36.51851 1.000 46.54120 H ? A ? 70 HA 1
   ATOM 1419 HB2 . GLU A 71 ? 11.32619 38.38458 34.40674 1.000 46.32611 H ? A ? 70 HB2 1
   ATOM 1420 HB3 . GLU A 71 ? 10.68118 38.98736 35.72811 1.000 46.32611 H ? A ? 70 HB3 1
   ATOM 1421 HG2 . GLU A 71 ? 12.92079 39.13563 36.05620 1.000 47.84694 H ? A ? 70 HG2 1
   ATOM 1422 HG3 . GLU A 71 ? 12.46118 37.90457 36.94988 1.000 47.84694 H ? A ? 70 HG3 1
   ATOM 1423 N . ILE A 72 ? 8.50676 36.54527 34.03448 1.000 30.72278 N ? A ? 71 N 1
   ATOM 1424 CA . ILE A 72 ? 7.09386 36.58198 33.66787 1.000 28.10650 C ? A ? 71 CA 1
   ATOM 1425 C . ILE A 72 ? 6.21664 36.07566 34.79800 1.000 31.81188 C ? A ? 71 C 1
   ATOM 1426 O . ILE A 72 ? 5.10628 36.58468 35.02353 1.000 36.38631 O ? A ? 71 O 1
   ATOM 1427 CB . ILE A 72 ? 6.85702 35.80946 32.34939 1.000 25.43811 C ? A ? 71 CB 1
   ATOM 1428 CG1 . ILE A 72 ? 7.59685 36.51209 31.21496 1.000 27.04844 C ? A ? 71 CG1 1
   ATOM 1429 CG2 . ILE A 72 ? 5.35965 35.60998 32.12019 1.000 26.32785 C ? A ? 71 CG2 1
   ATOM 1430 CD1 . ILE A 72 ? 7.58078 35.77371 29.89841 1.000 28.65107 C ? A ? 71 CD1 1
   ATOM 1431 H . ILE A 72 ? 9.01195 36.15083 33.46106 1.000 36.86814 H ? A ? 71 H 1
   ATOM 1432 HA . ILE A 72 ? 6.84616 37.50664 33.51121 1.000 33.72860 H ? A ? 71 HA 1
   ATOM 1433 HB . ILE A 72 ? 7.22826 34.91452 32.39601 1.000 30.52654 H ? A ? 71 HB 1
   ATOM 1434 HG12 . ILE A 72 ? 7.18567 37.37840 31.06889 1.000 32.45893 H ? A ? 71 HG12 1
   ATOM 1435 HG13 . ILE A 72 ? 8.52446 36.62478 31.47522 1.000 32.45893 H ? A ? 71 HG13 1
   ATOM 1436 HG21 . ILE A 72 ? 5.21459 35.33608 31.20104 1.000 31.59422 H ? A ? 71 HG21 1
   ATOM 1437 HG22 . ILE A 72 ? 5.03628 34.92382 32.72477 1.000 31.59422 H ? A ? 71 HG22 1
   ATOM 1438 HG23 . ILE A 72 ? 4.89960 36.44635 32.29264 1.000 31.59422 H ? A ? 71 HG23 1
   ATOM 1439 HD11 . ILE A 72 ? 8.45399 35.84986 29.48295 1.000 34.38209 H ? A ? 71 HD11 1
   ATOM 1440 HD12 . ILE A 72 ? 7.37265 34.84057 30.06220 1.000 34.38209 H ? A ? 71 HD12 1
   ATOM 1441 HD13 . ILE A 72 ? 6.90563 36.16729 29.32381 1.000 34.38209 H ? A ? 71 HD13 1
   ATOM 1442 N A TRP A 73 ? 6.70787 35.07132 35.53554 0.408 32.32802 N ? A ? 72 N 1
   ATOM 1443 CA A TRP A 73 ? 5.92498 34.31473 36.50257 0.408 36.12850 C ? A ? 72 CA 1
   ATOM 1444 C A TRP A 73 ? 6.08596 34.81172 37.92972 0.408 42.07151 C ? A ? 72 C 1
   ATOM 1445 O A TRP A 73 ? 5.12589 34.75808 38.70252 0.408 43.74105 O ? A ? 72 O 1
   ATOM 1446 CB A TRP A 73 ? 6.31521 32.83129 36.41309 0.408 34.51850 C ? A ? 72 CB 1
   ATOM 1447 CG A TRP A 73 ? 5.90093 32.24150 35.09535 0.408 32.90029 C ? A ? 72 CG 1
   ATOM 1448 CD1 A TRP A 73 ? 4.68768 31.69820 34.79047 0.408 35.48190 C ? A ? 72 CD1 1
   ATOM 1449 CD2 A TRP A 73 ? 6.68203 32.18159 33.89218 0.408 24.17050 C ? A ? 72 CD2 1
   ATOM 1450 NE1 A TRP A 73 ? 4.66726 31.29339 33.47702 0.408 30.79446 N ? A ? 72 NE1 1
   ATOM 1451 CE2 A TRP A 73 ? 5.88009 31.57218 32.90612 0.408 28.88352 C ? A ? 72 CE2 1
   ATOM 1452 CE3 A TRP A 73 ? 7.98660 32.56420 33.55750 0.408 23.89915 C ? A ? 72 CE3 1
   ATOM 1453 CZ2 A TRP A 73 ? 6.33388 31.34469 31.60811 0.408 19.61136 C ? A ? 72 CZ2 1
   ATOM 1454 CZ3 A TRP A 73 ? 8.43167 32.34456 32.26129 0.408 18.44054 C ? A ? 72 CZ3 1
   ATOM 1455 CH2 A TRP A 73 ? 7.61382 31.73569 31.30738 0.408 20.30634 C ? A ? 72 CH2 1
   ATOM 1456 H A TRP A 73 ? 7.52382 34.80392 35.48740 0.408 38.79444 H ? A ? 72 H 1
   ATOM 1457 HA A TRP A 73 ? 4.98149 34.38914 36.28999 0.408 43.35501 H ? A ? 72 HA 1
   ATOM 1458 HB2 A TRP A 73 ? 7.27759 32.74563 36.49900 0.408 41.42300 H ? A ? 72 HB2 1
   ATOM 1459 HB3 A TRP A 73 ? 5.87364 32.33870 37.12251 0.408 41.42300 H ? A ? 72 HB3 1
   ATOM 1460 HD1 A TRP A 73 ? 3.97741 31.61386 35.38486 0.408 42.57909 H ? A ? 72 HD1 1
   ATOM 1461 HE1 A TRP A 73 ? 4.00046 30.92461 33.07830 0.408 36.95416 H ? A ? 72 HE1 1
   ATOM 1462 HE3 A TRP A 73 ? 8.54323 32.95726 34.19041 0.408 28.67978 H ? A ? 72 HE3 1
   ATOM 1463 HZ2 A TRP A 73 ? 5.78948 30.94300 30.97001 0.408 23.53444 H ? A ? 72 HZ2 1
   ATOM 1464 HZ3 A TRP A 73 ? 9.29129 32.60806 32.02354 0.408 22.12946 H ? A ? 72 HZ3 1
   ATOM 1465 HH2 A TRP A 73 ? 7.94390 31.59217 30.44986 0.408 24.36841 H ? A ? 72 HH2 1
   ATOM 1466 N B TRP A 73 ? 6.68412 35.06023 35.52284 0.592 32.22195 N ? A ? 72 N 1
   ATOM 1467 CA B TRP A 73 ? 5.82944 34.41985 36.50962 0.592 33.69923 C ? A ? 72 CA 1
   ATOM 1468 C B TRP A 73 ? 6.04185 34.92856 37.92505 0.592 41.93730 C ? A ? 72 C 1
   ATOM 1469 O B TRP A 73 ? 5.08130 34.97289 38.69735 0.592 43.52556 O ? A ? 72 O 1
   ATOM 1470 CB B TRP A 73 ? 6.02819 32.90319 36.48487 0.592 36.09118 C ? A ? 72 CB 1
   ATOM 1471 CG B TRP A 73 ? 5.45060 32.26443 35.26387 0.592 28.78095 C ? A ? 72 CG 1
   ATOM 1472 CD1 B TRP A 73 ? 4.19870 31.74275 35.12160 0.592 33.13079 C ? A ? 72 CD1 1
   ATOM 1473 CD2 B TRP A 73 ? 6.10718 32.08947 34.00777 0.592 24.85403 C ? A ? 72 CD2 1
   ATOM 1474 NE1 B TRP A 73 ? 4.03674 31.24213 33.84697 0.592 31.15080 N ? A ? 72 NE1 1
   ATOM 1475 CE2 B TRP A 73 ? 5.19510 31.44954 33.14415 0.592 25.44500 C ? A ? 72 CE2 1
   ATOM 1476 CE3 B TRP A 73 ? 7.37679 32.41111 33.52901 0.592 20.37859 C ? A ? 72 CE3 1
   ATOM 1477 CZ2 B TRP A 73 ? 5.51350 31.12520 31.83238 0.592 23.39210 C ? A ? 72 CZ2 1
   ATOM 1478 CZ3 B TRP A 73 ? 7.69332 32.09126 32.22793 0.592 19.35968 C ? A ? 72 CZ3 1
   ATOM 1479 CH2 B TRP A 73 ? 6.76166 31.44863 31.39033 0.592 23.84552 C ? A ? 72 CH2 1
   ATOM 1480 H B TRP A 73 ? 7.47718 34.73361 35.45985 0.592 38.66715 H ? A ? 72 H 1
   ATOM 1481 HA B TRP A 73 ? 4.90598 34.60014 36.27378 0.592 40.43989 H ? A ? 72 HA 1
   ATOM 1482 HB2 B TRP A 73 ? 6.97832 32.70884 36.50449 0.592 43.31022 H ? A ? 72 HB2 1
   ATOM 1483 HB3 B TRP A 73 ? 5.59409 32.51510 37.26065 0.592 43.31022 H ? A ? 72 HB3 1
   ATOM 1484 HD1 B TRP A 73 ? 3.54912 31.72691 35.78696 0.592 39.75775 H ? A ? 72 HD1 1
   ATOM 1485 HE1 B TRP A 73 ? 3.32703 30.86290 33.54349 0.592 37.38176 H ? A ? 72 HE1 1
   ATOM 1486 HE3 B TRP A 73 ? 7.99752 32.83340 34.07788 0.592 24.45511 H ? A ? 72 HE3 1
   ATOM 1487 HZ2 B TRP A 73 ? 4.89871 30.70339 31.27650 0.592 28.07132 H ? A ? 72 HZ2 1
   ATOM 1488 HZ3 B TRP A 73 ? 8.53619 32.30308 31.89687 0.592 23.23242 H ? A ? 72 HZ3 1
   ATOM 1489 HH2 B TRP A 73 ? 7.00310 31.24037 30.51669 0.592 28.61542 H ? A ? 72 HH2 1
   ATOM 1490 N . SER A 74 ? 7.25990 35.31427 38.29115 1.000 36.64028 N ? A ? 73 N 1
   ATOM 1491 CA . SER A 74 ? 7.47382 35.87871 39.61654 1.000 40.33305 C ? A ? 73 CA 1
   ATOM 1492 C . SER A 74 ? 6.94284 37.30274 39.69914 1.000 45.65297 C ? A ? 73 C 1
   ATOM 1493 O . SER A 74 ? 6.57511 37.75868 40.79057 1.000 36.48533 O ? A ? 73 O 1
   ATOM 1494 CB . SER A 74 ? 8.96866 35.85554 39.94474 1.000 31.37565 C ? A ? 73 CB 1
   ATOM 1495 OG . SER A 74 ? 9.72440 36.32603 38.85521 1.000 36.36762 O ? A ? 73 OG 1
   ATOM 1496 HA . SER A 74 ? 7.01452 35.34203 40.28130 1.000 48.40047 H ? A ? 73 HA 1
   ATOM 1497 HB2 . SER A 74 ? 9.13275 36.42474 40.71284 1.000 37.65159 H ? A ? 73 HB2 1
   ATOM 1498 HB3 . SER A 74 ? 9.23464 34.94430 40.14423 1.000 37.65159 H ? A ? 73 HB3 1
   ATOM 1499 HG . SER A 74 ? 10.51788 36.46368 39.09404 1.000 43.64195 H ? A ? 73 HG 1
   ATOM 1500 H A SER A 74 ? 7.95384 35.34067 37.78386 0.408 43.96914 H ? A ? 73 H 1
   ATOM 1501 H B SER A 74 ? 7.96434 35.26079 37.80074 0.592 43.96914 H ? A ? 73 H 1
   ATOM 1502 N A ASP A 75 ? 6.87647 37.99745 38.55937 0.490 44.27081 N ? A ? 74 N 1
   ATOM 1503 CA A ASP A 75 ? 6.36045 39.35719 38.48153 0.490 43.44580 C ? A ? 74 CA 1
   ATOM 1504 C A ASP A 75 ? 5.02687 39.37570 37.74189 0.490 44.32055 C ? A ? 74 C 1
   ATOM 1505 O A ASP A 75 ? 4.88122 40.08422 36.74194 0.490 43.66857 O ? A ? 74 O 1
   ATOM 1506 CB A ASP A 75 ? 7.35909 40.24360 37.73095 0.490 45.60726 C ? A ? 74 CB 1
   ATOM 1507 CG A ASP A 75 ? 8.76723 40.14383 38.28953 0.490 45.12219 C ? A ? 74 CG 1
   ATOM 1508 OD1 A ASP A 75 ? 8.90461 39.86090 39.49632 0.490 49.45361 O ? A ? 74 OD1 1
   ATOM 1509 OD2 A ASP A 75 ? 9.73857 40.34166 37.52909 0.490 46.97822 O ? A ? 74 OD2 1
   ATOM 1510 H A ASP A 75 ? 7.13261 37.69064 37.79788 0.490 53.12578 H ? A ? 74 H 1
   ATOM 1511 HA A ASP A 75 ? 6.23026 39.70436 39.37787 0.490 52.13576 H ? A ? 74 HA 1
   ATOM 1512 HB2 A ASP A 75 ? 7.38559 39.97199 36.80013 0.490 54.72952 H ? A ? 74 HB2 1
   ATOM 1513 HB3 A ASP A 75 ? 7.07422 41.16835 37.79872 0.490 54.72952 H ? A ? 74 HB3 1
   ATOM 1514 N B ASP A 75 ? 6.89302 38.00780 38.56965 0.510 44.30314 N ? A ? 74 N 1
   ATOM 1515 CA B ASP A 75 ? 6.34232 39.35498 38.50831 0.510 43.41286 C ? A ? 74 CA 1
   ATOM 1516 C B ASP A 75 ? 5.04570 39.33183 37.71335 0.510 44.27057 C ? A ? 74 C 1
   ATOM 1517 O B ASP A 75 ? 4.94623 39.95403 36.65142 0.510 44.80761 O ? A ? 74 O 1
   ATOM 1518 CB B ASP A 75 ? 7.37332 40.28889 37.88062 0.510 45.63683 C ? A ? 74 CB 1
   ATOM 1519 CG B ASP A 75 ? 8.62137 40.40728 38.72749 0.510 45.82741 C ? A ? 74 CG 1
   ATOM 1520 OD1 B ASP A 75 ? 8.50270 40.26534 39.96312 0.510 50.32821 O ? A ? 74 OD1 1
   ATOM 1521 OD2 B ASP A 75 ? 9.71802 40.62695 38.17577 0.510 44.27378 O ? A ? 74 OD2 1
   ATOM 1522 H B ASP A 75 ? 7.17821 37.72025 37.81098 0.510 53.16457 H ? A ? 74 H 1
   ATOM 1523 HA B ASP A 75 ? 6.14017 39.69478 39.39407 0.510 52.09624 H ? A ? 74 HA 1
   ATOM 1524 HB2 B ASP A 75 ? 7.62884 39.94348 37.01097 0.510 54.76501 H ? A ? 74 HB2 1
   ATOM 1525 HB3 B ASP A 75 ? 6.98647 41.17334 37.78571 0.510 54.76501 H ? A ? 74 HB3 1
   ATOM 1526 N . ALA A 76 ? 4.04659 38.61187 38.22761 1.000 41.62612 N ? A ? 75 N 1
   ATOM 1527 CA . ALA A 76 ? 2.80292 38.42725 37.48541 1.000 51.12243 C ? A ? 75 CA 1
   ATOM 1528 C . ALA A 76 ? 2.10334 39.75428 37.21242 1.000 52.82787 C ? A ? 75 C 1
   ATOM 1529 O . ALA A 76 ? 1.68606 40.02174 36.08105 1.000 41.05898 O ? A ? 75 O 1
   ATOM 1530 CB . ALA A 76 ? 1.87444 37.48757 38.25639 1.000 53.54451 C ? A ? 75 CB 1
   ATOM 1531 HA . ALA A 76 ? 3.01600 38.02341 36.62960 1.000 61.34773 H ? A ? 75 HA 1
   ATOM 1532 HB1 . ALA A 76 ? 1.04795 37.38259 37.75962 1.000 64.25422 H ? A ? 75 HB1 1
   ATOM 1533 HB2 . ALA A 76 ? 2.31027 36.62709 38.35900 1.000 64.25422 H ? A ? 75 HB2 1
   ATOM 1534 HB3 . ALA A 76 ? 1.69000 37.87098 39.12810 1.000 64.25422 H ? A ? 75 HB3 1
   ATOM 1535 H A ALA A 76 ? 4.07724 38.19346 38.97834 0.490 49.95214 H ? A ? 75 H 1
   ATOM 1536 H B ALA A 76 ? 4.06444 38.22479 38.99537 0.510 49.95214 H ? A ? 75 H 1
   ATOM 1537 N . ALA A 77 ? 1.94384 40.59224 38.24078 1.000 48.95369 N ? A ? 76 N 1
   ATOM 1538 CA . ALA A 77 ? 1.22532 41.84816 38.05067 1.000 44.50375 C ? A ? 76 CA 1
   ATOM 1539 C . ALA A 77 ? 1.94008 42.74872 37.05491 1.000 42.66497 C ? A ? 76 C 1
   ATOM 1540 O . ALA A 77 ? 1.29239 43.43585 36.25275 1.000 38.44875 O ? A ? 76 O 1
   ATOM 1541 CB . ALA A 77 ? 1.07549 42.56219 39.39274 1.000 52.65388 C ? A ? 76 CB 1
   ATOM 1542 H . ALA A 77 ? 2.23570 40.45847 39.03860 1.000 58.74523 H ? A ? 76 H 1
   ATOM 1543 HA . ALA A 77 ? 0.34127 41.65433 37.70170 1.000 53.40530 H ? A ? 76 HA 1
   ATOM 1544 HB1 . ALA A 77 ? 0.61238 43.40299 39.25314 1.000 63.18546 H ? A ? 76 HB1 1
   ATOM 1545 HB2 . ALA A 77 ? 0.56433 41.99900 39.99476 1.000 63.18546 H ? A ? 76 HB2 1
   ATOM 1546 HB3 . ALA A 77 ? 1.95682 42.72743 39.76266 1.000 63.18546 H ? A ? 76 HB3 1
   ATOM 1547 N A SER A 78 ? 3.27368 42.77337 37.10221 0.468 40.53027 N ? A ? 77 N 1
   ATOM 1548 CA A SER A 78 ? 4.02730 43.61585 36.18178 0.468 41.48052 C ? A ? 77 CA 1
   ATOM 1549 C A SER A 78 ? 3.89525 43.12527 34.74622 0.468 42.44804 C ? A ? 77 C 1
   ATOM 1550 O A SER A 78 ? 3.69350 43.92665 33.82716 0.468 33.31924 O ? A ? 77 O 1
   ATOM 1551 CB A SER A 78 ? 5.49205 43.66523 36.60450 0.468 41.21755 C ? A ? 77 CB 1
   ATOM 1552 OG A SER A 78 ? 5.64316 44.40864 37.80079 0.468 45.63212 O ? A ? 77 OG 1
   ATOM 1553 H A SER A 78 ? 3.75624 42.31837 37.64967 0.468 48.63713 H ? A ? 77 H 1
   ATOM 1554 HA A SER A 78 ? 3.67304 44.51804 36.21981 0.468 49.77744 H ? A ? 77 HA 1
   ATOM 1555 HB2 A SER A 78 ? 5.80938 42.76056 36.75204 0.468 49.46187 H ? A ? 77 HB2 1
   ATOM 1556 HB3 A SER A 78 ? 6.01001 44.08804 35.90176 0.468 49.46187 H ? A ? 77 HB3 1
   ATOM 1557 HG A SER A 78 ? 6.45531 44.45349 38.01052 0.468 54.75934 H ? A ? 77 HG 1
   ATOM 1558 N B SER A 78 ? 3.27520 42.76574 37.09646 0.532 40.47625 N ? A ? 77 N 1
   ATOM 1559 CA B SER A 78 ? 4.04053 43.60992 36.18540 0.532 41.48948 C ? A ? 77 CA 1
   ATOM 1560 C B SER A 78 ? 3.92154 43.12653 34.74592 0.532 42.58128 C ? A ? 77 C 1
   ATOM 1561 O B SER A 78 ? 3.76110 43.93416 33.82399 0.532 33.27511 O ? A ? 77 O 1
   ATOM 1562 CB B SER A 78 ? 5.50257 43.63177 36.62256 0.532 41.13042 C ? A ? 77 CB 1
   ATOM 1563 OG B SER A 78 ? 6.32174 44.29274 35.67384 0.532 49.74109 O ? A ? 77 OG 1
   ATOM 1564 H B SER A 78 ? 3.75532 42.30156 37.63833 0.532 48.57230 H ? A ? 77 H 1
   ATOM 1565 HA B SER A 78 ? 3.69220 44.51443 36.22309 0.532 49.78818 H ? A ? 77 HA 1
   ATOM 1566 HB2 B SER A 78 ? 5.56827 44.09771 37.47079 0.532 49.35731 H ? A ? 77 HB2 1
   ATOM 1567 HB3 B SER A 78 ? 5.81308 42.71810 36.72101 0.532 49.35731 H ? A ? 77 HB3 1
   ATOM 1568 HG B SER A 78 ? 7.10515 44.36147 35.96904 0.532 59.69012 H ? A ? 77 HG 1
   ATOM 1569 N . PHE A 79 ? 4.01211 41.81487 34.52839 1.000 38.46103 N ? A ? 78 N 1
   ATOM 1570 CA . PHE A 79 ? 3.82019 41.28379 33.18571 1.000 33.60764 C ? A ? 78 CA 1
   ATOM 1571 C . PHE A 79 ? 2.40376 41.55455 32.69426 1.000 31.20599 C ? A ? 78 C 1
   ATOM 1572 O . PHE A 79 ? 2.20672 41.92398 31.53553 1.000 27.99399 O ? A ? 78 O 1
   ATOM 1573 CB . PHE A 79 ? 4.09526 39.77890 33.17661 1.000 27.39149 C ? A ? 78 CB 1
   ATOM 1574 CG . PHE A 79 ? 4.04744 39.16713 31.81010 1.000 25.32291 C ? A ? 78 CG 1
   ATOM 1575 CD1 . PHE A 79 ? 5.09254 39.33897 30.94374 1.000 22.52300 C ? A ? 78 CD1 1
   ATOM 1576 CD2 . PHE A 79 ? 2.95610 38.43404 31.41849 1.000 29.33180 C ? A ? 78 CD2 1
   ATOM 1577 CE1 . PHE A 79 ? 5.06807 38.78209 29.68055 1.000 23.97885 C ? A ? 78 CE1 1
   ATOM 1578 CE2 . PHE A 79 ? 2.91353 37.85479 30.15622 1.000 28.68483 C ? A ? 78 CE2 1
   ATOM 1579 CZ . PHE A 79 ? 3.96601 38.04396 29.29753 1.000 24.76802 C ? A ? 78 CZ 1
   ATOM 1580 HA . PHE A 79 ? 4.44690 41.71479 32.58374 1.000 40.32997 H ? A ? 78 HA 1
   ATOM 1581 HB2 . PHE A 79 ? 4.98014 39.62103 33.54126 1.000 32.87059 H ? A ? 78 HB2 1
   ATOM 1582 HB3 . PHE A 79 ? 3.42735 39.33610 33.72317 1.000 32.87059 H ? A ? 78 HB3 1
   ATOM 1583 HD1 . PHE A 79 ? 5.83053 39.83844 31.20980 1.000 27.02841 H ? A ? 78 HD1 1
   ATOM 1584 HD2 . PHE A 79 ? 2.24005 38.32403 32.00165 1.000 35.19896 H ? A ? 78 HD2 1
   ATOM 1585 HE1 . PHE A 79 ? 5.78234 38.90226 29.09721 1.000 28.77542 H ? A ? 78 HE1 1
   ATOM 1586 HE2 . PHE A 79 ? 2.18024 37.34500 29.89682 1.000 34.42260 H ? A ? 78 HE2 1
   ATOM 1587 HZ . PHE A 79 ? 3.93698 37.67027 28.44640 1.000 29.72243 H ? A ? 78 HZ 1
   ATOM 1588 H A PHE A 79 ? 4.19759 41.22730 35.12837 0.468 46.15404 H ? A ? 78 H 1
   ATOM 1589 H B PHE A 79 ? 4.18043 41.22411 35.13029 0.532 46.15404 H ? A ? 78 H 1
   ATOM 1590 N . LYS A 80 ? 1.40369 41.38683 33.56111 1.000 29.84121 N ? A ? 79 N 1
   ATOM 1591 CA . LYS A 80 ? 0.02743 41.62404 33.14750 1.000 39.15883 C ? A ? 79 CA 1
   ATOM 1592 C . LYS A 80 ? -0.19953 43.08026 32.77671 1.000 36.89766 C ? A ? 79 C 1
   ATOM 1593 O . LYS A 80 ? -0.98414 43.36547 31.86997 1.000 31.68105 O ? A ? 79 O 1
   ATOM 1594 CB . LYS A 80 ? -0.94585 41.21097 34.24792 1.000 41.50018 C ? A ? 79 CB 1
   ATOM 1595 CG . LYS A 80 ? -2.40722 41.30980 33.82216 1.000 39.43379 C ? A ? 79 CG 1
   ATOM 1596 CD . LYS A 80 ? -3.33169 40.81983 34.91788 1.000 52.52398 C ? A ? 79 CD 1
   ATOM 1597 CE . LYS A 80 ? -4.77983 41.15651 34.61313 1.000 63.16460 C ? A ? 79 CE 1
   ATOM 1598 NZ . LYS A 80 ? -5.60767 41.11246 35.84518 1.000 82.50031 N ? A ? 79 NZ 1
   ATOM 1599 H . LYS A 80 ? 1.49614 41.14047 34.37986 1.000 35.81026 H ? A ? 79 H 1
   ATOM 1600 HA . LYS A 80 ? -0.15020 41.07498 32.36783 1.000 46.99141 H ? A ? 79 HA 1
   ATOM 1601 HB2 . LYS A 80 ? -0.76816 40.29004 34.49534 1.000 49.80103 H ? A ? 79 HB2 1
   ATOM 1602 HB3 . LYS A 80 ? -0.81798 41.79109 35.01474 1.000 49.80103 H ? A ? 79 HB3 1
   ATOM 1603 HG2 . LYS A 80 ? -2.62491 42.23512 33.62906 1.000 47.32135 H ? A ? 79 HG2 1
   ATOM 1604 HG3 . LYS A 80 ? -2.55090 40.76364 33.03351 1.000 47.32135 H ? A ? 79 HG3 1
   ATOM 1605 HD2 . LYS A 80 ? -3.25279 39.85639 34.99830 1.000 63.02958 H ? A ? 79 HD2 1
   ATOM 1606 HD3 . LYS A 80 ? -3.08975 41.24364 35.75619 1.000 63.02958 H ? A ? 79 HD3 1
   ATOM 1607 HE2 . LYS A 80 ? -4.83194 42.05036 34.24001 1.000 75.79833 H ? A ? 79 HE2 1
   ATOM 1608 HE3 . LYS A 80 ? -5.13515 40.51201 33.98126 1.000 75.79833 H ? A ? 79 HE3 1
   ATOM 1609 HZ1 . LYS A 80 ? -6.44940 41.32958 35.65426 1.000 99.00118 H ? A ? 79 HZ1 1
   ATOM 1610 HZ2 . LYS A 80 ? -5.59245 40.29339 36.19301 1.000 99.00118 H ? A ? 79 HZ2 1
   ATOM 1611 HZ3 . LYS A 80 ? -5.29024 41.68731 36.44591 1.000 99.00118 H ? A ? 79 HZ3 1
   ATOM 1612 N A GLN A 81 ? 0.45939 44.01685 33.46113 0.511 37.25162 N ? A ? 80 N 1
   ATOM 1613 CA A GLN A 81 ? 0.31824 45.41418 33.06751 0.511 32.31981 C ? A ? 80 CA 1
   ATOM 1614 C A GLN A 81 ? 0.94714 45.66535 31.70322 0.511 35.14425 C ? A ? 80 C 1
   ATOM 1615 O A GLN A 81 ? 0.46267 46.51162 30.94375 0.511 34.50672 O ? A ? 80 O 1
   ATOM 1616 CB A GLN A 81 ? 0.96252 46.33203 34.10488 0.511 35.56564 C ? A ? 80 CB 1
   ATOM 1617 CG A GLN A 81 ? 0.12131 46.63253 35.36136 0.511 38.76229 C ? A ? 80 CG 1
   ATOM 1618 CD A GLN A 81 ? -1.08064 47.53759 35.11225 0.511 38.34218 C ? A ? 80 CD 1
   ATOM 1619 OE1 A GLN A 81 ? -0.93341 48.67369 34.66470 0.511 24.56096 O ? A ? 80 OE1 1
   ATOM 1620 NE2 A GLN A 81 ? -2.27154 47.04875 35.43430 0.511 32.92493 N ? A ? 80 NE2 1
   ATOM 1621 H A GLN A 81 ? 0.97600 43.87305 34.13347 0.511 44.70275 H ? A ? 80 H 1
   ATOM 1622 HA A GLN A 81 ? -0.62694 45.62793 33.02444 0.511 38.78458 H ? A ? 80 HA 1
   ATOM 1623 HB2 A GLN A 81 ? 1.78676 45.91790 34.40491 0.511 42.67957 H ? A ? 80 HB2 1
   ATOM 1624 HB3 A GLN A 81 ? 1.15425 47.18223 33.67908 0.511 42.67957 H ? A ? 80 HB3 1
   ATOM 1625 HG2 A GLN A 81 ? -0.21186 45.79465 35.71891 0.511 46.51556 H ? A ? 80 HG2 1
   ATOM 1626 HG3 A GLN A 81 ? 0.68749 47.07074 36.01582 0.511 46.51556 H ? A ? 80 HG3 1
   ATOM 1627 HE21 A GLN A 81 ? -2.33640 46.25780 35.76565 0.511 39.51072 H ? A ? 80 HE21 1
   ATOM 1628 HE22 A GLN A 81 ? -2.97847 47.52289 35.31167 0.511 39.51072 H ? A ? 80 HE22 1
   ATOM 1629 N B GLN A 81 ? 0.44751 44.00536 33.48986 0.489 37.29723 N ? A ? 80 N 1
   ATOM 1630 CA B GLN A 81 ? 0.39954 45.40826 33.09968 0.489 32.66973 C ? A ? 80 CA 1
   ATOM 1631 C B GLN A 81 ? 0.86485 45.57495 31.66279 0.489 34.18955 C ? A ? 80 C 1
   ATOM 1632 O B GLN A 81 ? 0.17705 46.19173 30.84096 0.489 26.54291 O ? A ? 80 O 1
   ATOM 1633 CB B GLN A 81 ? 1.30567 46.22538 34.01991 0.489 35.42694 C ? A ? 80 CB 1
   ATOM 1634 CG B GLN A 81 ? 0.77518 46.47866 35.42232 0.489 41.17804 C ? A ? 80 CG 1
   ATOM 1635 CD B GLN A 81 ? 1.75734 47.23175 36.31413 0.489 41.63952 C ? A ? 80 CD 1
   ATOM 1636 OE1 B GLN A 81 ? 1.36057 47.81252 37.32994 0.489 37.91837 O ? A ? 80 OE1 1
   ATOM 1637 NE2 B GLN A 81 ? 3.04337 47.19224 35.96818 0.489 41.06278 N ? A ? 80 NE2 1
   ATOM 1638 H B GLN A 81 ? 0.91450 43.84584 34.19418 0.489 44.75748 H ? A ? 80 H 1
   ATOM 1639 HA B GLN A 81 ? -0.51205 45.72946 33.18178 0.489 39.20448 H ? A ? 80 HA 1
   ATOM 1640 HB2 B GLN A 81 ? 2.14813 45.75366 34.11287 0.489 42.51314 H ? A ? 80 HB2 1
   ATOM 1641 HB3 B GLN A 81 ? 1.45391 47.09130 33.60869 0.489 42.51314 H ? A ? 80 HB3 1
   ATOM 1642 HG2 B GLN A 81 ? -0.03567 47.00740 35.36026 0.489 49.41445 H ? A ? 80 HG2 1
   ATOM 1643 HG3 B GLN A 81 ? 0.58399 45.62633 35.84408 0.489 49.41445 H ? A ? 80 HG3 1
   ATOM 1644 HE21 B GLN A 81 ? 3.28728 46.75531 35.26876 0.489 49.27614 H ? A ? 80 HE21 1
   ATOM 1645 HE22 B GLN A 81 ? 3.62957 47.60368 36.44430 0.489 49.27614 H ? A ? 80 HE22 1
   ATOM 1646 N A LYS A 82 ? 2.00721 44.93076 31.35912 0.511 23.29167 N ? A ? 81 N 1
   ATOM 1647 CA A LYS A 82 ? 2.65398 45.14531 30.06855 0.511 25.04800 C ? A ? 81 CA 1
   ATOM 1648 C A LYS A 82 ? 1.89021 44.51677 28.90760 0.511 29.02666 C ? A ? 81 C 1
   ATOM 1649 O A LYS A 82 ? 1.98017 45.02313 27.78137 0.511 23.80182 O ? A ? 81 O 1
   ATOM 1650 CB A LYS A 82 ? 4.10221 44.64502 30.09766 0.511 28.77991 C ? A ? 81 CB 1
   ATOM 1651 CG A LYS A 82 ? 5.07319 45.64023 30.70841 0.511 35.48939 C ? A ? 81 CG 1
   ATOM 1652 CD A LYS A 82 ? 6.48075 45.46558 30.15935 0.511 34.09327 C ? A ? 81 CD 1
   ATOM 1653 CE A LYS A 82 ? 7.38213 46.61111 30.59431 0.511 35.28047 C ? A ? 81 CE 1
   ATOM 1654 NZ A LYS A 82 ? 7.44130 46.78095 32.07597 0.511 40.53324 N ? A ? 81 NZ 1
   ATOM 1655 H A LYS A 82 ? 2.36193 44.31628 31.84512 0.511 27.95081 H ? A ? 81 H 1
   ATOM 1656 HA A LYS A 82 ? 2.68141 46.10114 29.90564 0.511 30.05841 H ? A ? 81 HA 1
   ATOM 1657 HB2 A LYS A 82 ? 4.14147 43.83048 30.62290 0.511 34.53670 H ? A ? 81 HB2 1
   ATOM 1658 HB3 A LYS A 82 ? 4.39045 44.46779 29.18859 0.511 34.53670 H ? A ? 81 HB3 1
   ATOM 1659 HG2 A LYS A 82 ? 4.77779 46.54158 30.50542 0.511 42.58807 H ? A ? 81 HG2 1
   ATOM 1660 HG3 A LYS A 82 ? 5.10365 45.50952 31.66908 0.511 42.58807 H ? A ? 81 HG3 1
   ATOM 1661 HD2 A LYS A 82 ? 6.85681 44.63575 30.49229 0.511 40.91273 H ? A ? 81 HD2 1
   ATOM 1662 HD3 A LYS A 82 ? 6.44989 45.45045 29.18995 0.511 40.91273 H ? A ? 81 HD3 1
   ATOM 1663 HE2 A LYS A 82 ? 8.28298 46.44057 30.27763 0.511 42.33737 H ? A ? 81 HE2 1
   ATOM 1664 HE3 A LYS A 82 ? 7.04722 47.43761 30.21269 0.511 42.33737 H ? A ? 81 HE3 1
   ATOM 1665 HZ1 A LYS A 82 ? 7.91255 47.50772 32.28048 0.511 48.64069 H ? A ? 81 HZ1 1
   ATOM 1666 HZ2 A LYS A 82 ? 6.61911 46.86764 32.40550 0.511 48.64069 H ? A ? 81 HZ2 1
   ATOM 1667 HZ3 A LYS A 82 ? 7.82843 46.07139 32.44848 0.511 48.64069 H ? A ? 81 HZ3 1
   ATOM 1668 N B LYS A 82 ? 2.05292 45.04722 31.35004 0.489 25.01361 N ? A ? 81 N 1
   ATOM 1669 CA B LYS A 82 ? 2.60763 45.19278 30.01014 0.489 25.00555 C ? A ? 81 CA 1
   ATOM 1670 C B LYS A 82 ? 1.64300 44.64236 28.96668 0.489 25.36423 C ? A ? 81 C 1
   ATOM 1671 O B LYS A 82 ? 1.29018 45.32000 28.00347 0.489 20.59843 O ? A ? 81 O 1
   ATOM 1672 CB B LYS A 82 ? 3.95805 44.47304 29.93710 0.489 25.52605 C ? A ? 81 CB 1
   ATOM 1673 CG B LYS A 82 ? 5.03826 45.10129 30.83764 0.489 34.30222 C ? A ? 81 CG 1
   ATOM 1674 CD B LYS A 82 ? 6.37766 45.26351 30.10327 0.489 33.18733 C ? A ? 81 CD 1
   ATOM 1675 CE B LYS A 82 ? 7.51275 45.70183 31.02757 0.489 43.16339 C ? A ? 81 CE 1
   ATOM 1676 NZ B LYS A 82 ? 7.39314 47.11198 31.50706 0.489 37.61486 N ? A ? 81 NZ 1
   ATOM 1677 H B LYS A 82 ? 2.55094 44.60449 31.89370 0.489 30.01714 H ? A ? 81 H 1
   ATOM 1678 HA B LYS A 82 ? 2.75346 46.13256 29.81923 0.489 30.00747 H ? A ? 81 HA 1
   ATOM 1679 HB2 B LYS A 82 ? 3.83712 43.55199 30.21630 0.489 30.63206 H ? A ? 81 HB2 1
   ATOM 1680 HB3 B LYS A 82 ? 4.27938 44.50296 29.02236 0.489 30.63206 H ? A ? 81 HB3 1
   ATOM 1681 HG2 B LYS A 82 ? 4.74282 45.97914 31.12571 0.489 41.16346 H ? A ? 81 HG2 1
   ATOM 1682 HG3 B LYS A 82 ? 5.18295 44.53046 31.60843 0.489 41.16346 H ? A ? 81 HG3 1
   ATOM 1683 HD2 B LYS A 82 ? 6.62588 44.41355 29.70721 0.489 39.82561 H ? A ? 81 HD2 1
   ATOM 1684 HD3 B LYS A 82 ? 6.27915 45.93589 29.41109 0.489 39.82561 H ? A ? 81 HD3 1
   ATOM 1685 HE2 B LYS A 82 ? 7.52034 45.12497 31.80736 0.489 51.79688 H ? A ? 81 HE2 1
   ATOM 1686 HE3 B LYS A 82 ? 8.35270 45.62352 30.54877 0.489 51.79688 H ? A ? 81 HE3 1
   ATOM 1687 HZ1 B LYS A 82 ? 7.96805 47.25765 32.17065 0.489 45.13863 H ? A ? 81 HZ1 1
   ATOM 1688 HZ2 B LYS A 82 ? 7.57101 47.67581 30.84181 0.489 45.13863 H ? A ? 81 HZ2 1
   ATOM 1689 HZ3 B LYS A 82 ? 6.56727 47.26428 31.80174 0.489 45.13863 H ? A ? 81 HZ3 1
   ATOM 1690 N . GLN A 83 ? 1.17149 43.41314 29.14681 1.000 25.75971 N ? A ? 82 N 1
   ATOM 1691 CA . GLN A 83 ? 0.27206 42.88226 28.13420 1.000 23.77050 C ? A ? 82 CA 1
   ATOM 1692 C . GLN A 83 ? -0.99998 43.73853 27.99903 1.000 26.10849 C ? A ? 82 C 1
   ATOM 1693 O . GLN A 83 ? -1.50347 43.92518 26.89373 1.000 24.26750 O ? A ? 82 O 1
   ATOM 1694 CB . GLN A 83 ? -0.02695 41.39921 28.41766 1.000 26.80423 C ? A ? 82 CB 1
   ATOM 1695 CG . GLN A 83 ? -1.42354 41.03858 28.15714 1.000 36.93986 C ? A ? 82 CG 1
   ATOM 1696 CD . GLN A 83 ? -1.99408 40.18547 29.26447 1.000 35.08220 C ? A ? 82 CD 1
   ATOM 1697 OE1 . GLN A 83 ? -1.24827 39.68260 30.11691 1.000 47.65798 O ? A ? 82 OE1 1
   ATOM 1698 NE2 . GLN A 83 ? -3.28946 40.05118 29.29677 1.000 43.83499 N ? A ? 82 NE2 1
   ATOM 1699 HA . GLN A 83 ? 0.70728 42.91236 27.26784 1.000 28.52541 H ? A ? 82 HA 1
   ATOM 1700 HB2 . GLN A 83 ? 0.53541 40.85020 27.84912 1.000 32.16588 H ? A ? 82 HB2 1
   ATOM 1701 HB3 . GLN A 83 ? 0.16176 41.21251 29.35063 1.000 32.16588 H ? A ? 82 HB3 1
   ATOM 1702 HG2 . GLN A 83 ? -1.95592 41.84664 28.08997 1.000 44.32864 H ? A ? 82 HG2 1
   ATOM 1703 HG3 . GLN A 83 ? -1.47571 40.53708 27.32848 1.000 44.32864 H ? A ? 82 HG3 1
   ATOM 1704 HE21 . GLN A 83 ? -3.77696 40.43975 28.70435 1.000 52.60279 H ? A ? 82 HE21 1
   ATOM 1705 HE22 . GLN A 83 ? -3.65712 39.57394 29.91051 1.000 52.60279 H ? A ? 82 HE22 1
   ATOM 1706 H A GLN A 83 ? 1.19014 42.96302 29.87937 0.511 30.91245 H ? A ? 82 H 1
   ATOM 1707 H B GLN A 83 ? 1.34763 42.89502 29.81024 0.489 30.91245 H ? A ? 82 H 1
   ATOM 1708 N A GLN A 84 ? -1.52527 44.27428 29.09711 0.380 27.65118 N ? A ? 83 N 1
   ATOM 1709 CA A GLN A 84 ? -2.70176 45.13335 28.94866 0.380 30.86227 C ? A ? 83 CA 1
   ATOM 1710 C A GLN A 84 ? -2.36359 46.49444 28.33291 0.380 26.87590 C ? A ? 83 C 1
   ATOM 1711 O A GLN A 84 ? -3.18996 47.04117 27.59323 0.380 30.52235 O ? A ? 83 O 1
   ATOM 1712 CB A GLN A 84 ? -3.46704 45.24213 30.26763 0.380 29.53152 C ? A ? 83 CB 1
   ATOM 1713 CG A GLN A 84 ? -2.72092 45.88163 31.38618 0.380 35.59696 C ? A ? 83 CG 1
   ATOM 1714 CD A GLN A 84 ? -2.85022 47.37894 31.36557 0.380 30.27796 C ? A ? 83 CD 1
   ATOM 1715 OE1 A GLN A 84 ? -3.76562 47.93226 30.75779 0.380 41.42086 O ? A ? 83 OE1 1
   ATOM 1716 NE2 A GLN A 84 ? -1.96696 48.04645 32.07334 0.380 20.54469 N ? A ? 83 NE2 1
   ATOM 1717 H A GLN A 84 ? -1.23690 44.16388 29.89977 0.380 33.18222 H ? A ? 83 H 1
   ATOM 1718 HA A GLN A 84 ? -3.31482 44.71325 28.32531 0.380 37.03553 H ? A ? 83 HA 1
   ATOM 1719 HB2 A GLN A 84 ? -4.26674 45.76930 30.11444 0.380 35.43863 H ? A ? 83 HB2 1
   ATOM 1720 HB3 A GLN A 84 ? -3.70918 44.34793 30.55517 0.380 35.43863 H ? A ? 83 HB3 1
   ATOM 1721 HG2 A GLN A 84 ? -3.07289 45.55853 32.23035 0.380 42.71716 H ? A ? 83 HG2 1
   ATOM 1722 HG3 A GLN A 84 ? -1.78013 45.65751 31.31145 0.380 42.71716 H ? A ? 83 HG3 1
   ATOM 1723 HE21 A GLN A 84 ? -1.36067 47.62409 32.51337 0.380 24.65443 H ? A ? 83 HE21 1
   ATOM 1724 HE22 A GLN A 84 ? -1.99518 48.90567 32.09655 0.380 24.65443 H ? A ? 83 HE22 1
   ATOM 1725 N B GLN A 84 ? -1.61324 44.10405 29.12940 0.447 24.87973 N ? A ? 83 N 1
   ATOM 1726 CA B GLN A 84 ? -2.85212 44.87831 29.07960 0.447 27.99473 C ? A ? 83 CA 1
   ATOM 1727 C B GLN A 84 ? -2.62590 46.23175 28.42445 0.447 30.28563 C ? A ? 83 C 1
   ATOM 1728 O B GLN A 84 ? -3.49568 46.71576 27.69292 0.447 22.98014 O ? A ? 83 O 1
   ATOM 1729 CB B GLN A 84 ? -3.42807 45.01375 30.48899 0.447 26.81128 C ? A ? 83 CB 1
   ATOM 1730 CG B GLN A 84 ? -4.07901 43.72820 30.99364 0.447 30.33627 C ? A ? 83 CG 1
   ATOM 1731 CD B GLN A 84 ? -5.33433 43.38539 30.22459 0.447 27.04431 C ? A ? 83 CD 1
   ATOM 1732 OE1 B GLN A 84 ? -5.40503 42.35136 29.56494 0.447 25.71550 O ? A ? 83 OE1 1
   ATOM 1733 NE2 B GLN A 84 ? -6.33734 44.24776 30.30803 0.447 32.46788 N ? A ? 83 NE2 1
   ATOM 1734 H B GLN A 84 ? -1.33674 43.91922 29.92249 0.447 29.85648 H ? A ? 83 H 1
   ATOM 1735 HA B GLN A 84 ? -3.51470 44.41205 28.54622 0.447 33.59448 H ? A ? 83 HA 1
   ATOM 1736 HB2 B GLN A 84 ? -2.71207 45.24676 31.10050 0.447 32.17435 H ? A ? 83 HB2 1
   ATOM 1737 HB3 B GLN A 84 ? -4.10300 45.71043 30.48753 0.447 32.17435 H ? A ? 83 HB3 1
   ATOM 1738 HG2 B GLN A 84 ? -3.45309 42.99391 30.89394 0.447 36.40433 H ? A ? 83 HG2 1
   ATOM 1739 HG3 B GLN A 84 ? -4.31669 43.83702 31.92775 0.447 36.40433 H ? A ? 83 HG3 1
   ATOM 1740 HE21 B GLN A 84 ? -6.25370 44.95999 30.78271 0.447 38.96226 H ? A ? 83 HE21 1
   ATOM 1741 HE22 B GLN A 84 ? -7.07181 44.09508 29.88749 0.447 38.96226 H ? A ? 83 HE22 1
   ATOM 1742 N C GLN A 84 ? -1.55273 44.19129 29.12668 0.173 26.46230 N ? A ? 83 N 1
   ATOM 1743 CA C GLN A 84 ? -2.76505 45.00570 29.06551 0.173 28.94163 C ? A ? 83 CA 1
   ATOM 1744 C C GLN A 84 ? -2.48962 46.37914 28.46239 0.173 27.70862 C ? A ? 83 C 1
   ATOM 1745 O C GLN A 84 ? -3.36143 46.94255 27.78821 0.173 27.43772 O ? A ? 83 O 1
   ATOM 1746 CB C GLN A 84 ? -3.40411 45.09625 30.45243 0.173 28.00632 C ? A ? 83 CB 1
   ATOM 1747 CG C GLN A 84 ? -4.02039 43.77456 30.91334 0.173 30.65163 C ? A ? 83 CG 1
   ATOM 1748 CD C GLN A 84 ? -4.80264 43.91578 32.20171 0.173 33.05931 C ? A ? 83 CD 1
   ATOM 1749 OE1 C GLN A 84 ? -5.93139 43.43309 32.31732 0.173 35.15927 O ? A ? 83 OE1 1
   ATOM 1750 NE2 C GLN A 84 ? -4.20388 44.57872 33.18227 0.173 34.96341 N ? A ? 83 NE2 1
   ATOM 1751 H C GLN A 84 ? -1.25296 44.04469 29.91930 0.173 31.75556 H ? A ? 83 H 1
   ATOM 1752 HA C GLN A 84 ? -3.41602 44.57696 28.48817 0.173 34.73077 H ? A ? 83 HA 1
   ATOM 1753 HB2 C GLN A 84 ? -2.72450 45.35037 31.09621 0.173 33.60839 H ? A ? 83 HB2 1
   ATOM 1754 HB3 C GLN A 84 ? -4.10771 45.76366 30.43187 0.173 33.60839 H ? A ? 83 HB3 1
   ATOM 1755 HG2 C GLN A 84 ? -4.62584 43.45130 30.22790 0.173 36.78276 H ? A ? 83 HG2 1
   ATOM 1756 HG3 C GLN A 84 ? -3.31159 43.12908 31.06117 0.173 36.78276 H ? A ? 83 HG3 1
   ATOM 1757 HE21 C GLN A 84 ? -3.41474 44.89982 33.06500 0.173 41.95690 H ? A ? 83 HE21 1
   ATOM 1758 HE22 C GLN A 84 ? -4.60482 44.68742 33.93529 0.173 41.95690 H ? A ? 83 HE22 1
   ATOM 1759 N A ALA A 85 ? -1.16474 47.04388 28.59007 0.380 25.26836 N ? A ? 84 N 1
   ATOM 1760 CA A ALA A 85 ? -0.80251 48.30809 27.94505 0.380 25.24693 C ? A ? 84 CA 1
   ATOM 1761 C A ALA A 85 ? -0.57430 48.08346 26.46282 0.380 21.36811 C ? A ? 84 C 1
   ATOM 1762 O A ALA A 85 ? -0.81831 48.96751 25.63613 0.380 20.29784 O ? A ? 84 O 1
   ATOM 1763 CB A ALA A 85 ? 0.44161 48.91814 28.57879 0.380 30.22008 C ? A ? 84 CB 1
   ATOM 1764 H A ALA A 85 ? -0.56808 46.71467 29.11468 0.380 30.32284 H ? A ? 84 H 1
   ATOM 1765 HA A ALA A 85 ? -1.52188 48.94580 28.07437 0.380 30.29712 H ? A ? 84 HA 1
   ATOM 1766 HB1 A ALA A 85 ? 0.67244 49.73099 28.10245 0.380 36.26490 H ? A ? 84 HB1 1
   ATOM 1767 HB2 A ALA A 85 ? 0.25503 49.12136 29.50873 0.380 36.26490 H ? A ? 84 HB2 1
   ATOM 1768 HB3 A ALA A 85 ? 1.17094 48.28140 28.51923 0.380 36.26490 H ? A ? 84 HB3 1
   ATOM 1769 N B ALA A 85 ? -1.45381 46.82594 28.64205 0.447 23.13084 N ? A ? 84 N 1
   ATOM 1770 CA B ALA A 85 ? -1.12199 48.08906 27.99014 0.447 26.72655 C ? A ? 84 CA 1
   ATOM 1771 C B ALA A 85 ? -0.89224 47.90523 26.49493 0.447 29.34604 C ? A ? 84 C 1
   ATOM 1772 O B ALA A 85 ? -1.39549 48.69107 25.68344 0.447 19.63465 O ? A ? 84 O 1
   ATOM 1773 CB B ALA A 85 ? 0.09972 48.71024 28.65837 0.447 25.29617 C ? A ? 84 CB 1
   ATOM 1774 H B ALA A 85 ? -0.83783 46.52075 29.15879 0.447 27.75782 H ? A ? 84 H 1
   ATOM 1775 HA B ALA A 85 ? -1.86809 48.69978 28.09629 0.447 32.07266 H ? A ? 84 HA 1
   ATOM 1776 HB1 B ALA A 85 ? 0.32741 49.53302 28.19784 0.447 30.35621 H ? A ? 84 HB1 1
   ATOM 1777 HB2 B ALA A 85 ? -0.10934 48.89780 29.58682 0.447 30.35621 H ? A ? 84 HB2 1
   ATOM 1778 HB3 B ALA A 85 ? 0.84016 48.08585 28.60565 0.447 30.35621 H ? A ? 84 HB3 1
   ATOM 1779 N C ALA A 85 ? -1.28360 46.91761 28.66540 0.173 24.84523 N ? A ? 84 N 1
   ATOM 1780 CA C ALA A 85 ? -0.92334 48.17497 28.01739 0.173 26.05974 C ? A ? 84 CA 1
   ATOM 1781 C C ALA A 85 ? -0.74488 47.98473 26.51621 0.173 25.35595 C ? A ? 84 C 1
   ATOM 1782 O C ALA A 85 ? -1.17148 48.83087 25.72286 0.173 20.54124 O ? A ? 84 O 1
   ATOM 1783 CB C ALA A 85 ? 0.34368 48.75012 28.64538 0.173 27.94119 C ? A ? 84 CB 1
   ATOM 1784 H C ALA A 85 ? -0.66955 46.58016 29.16406 0.173 29.81509 H ? A ? 84 H 1
   ATOM 1785 HA C ALA A 85 ? -1.63777 48.81596 28.15746 0.173 31.27250 H ? A ? 84 HA 1
   ATOM 1786 HB1 C ALA A 85 ? 0.57583 49.57439 28.18976 0.173 33.53023 H ? A ? 84 HB1 1
   ATOM 1787 HB2 C ALA A 85 ? 0.17845 48.92665 29.58476 0.173 33.53023 H ? A ? 84 HB2 1
   ATOM 1788 HB3 C ALA A 85 ? 1.06306 48.10627 28.55134 0.173 33.53023 H ? A ? 84 HB3 1
   ATOM 1789 N . PHE A 86 ? -0.11585 46.88439 26.10967 1.000 21.64625 N ? A ? 85 N 1
   ATOM 1790 CA . PHE A 86 ? -0.00742 46.52055 24.70507 1.000 21.40972 C ? A ? 85 CA 1
   ATOM 1791 C . PHE A 86 ? -1.40123 46.38229 24.09647 1.000 17.76792 C ? A ? 85 C 1
   ATOM 1792 O . PHE A 86 ? -1.68935 46.91618 23.02264 1.000 18.86815 O ? A ? 85 O 1
   ATOM 1793 CB . PHE A 86 ? 0.75463 45.19814 24.58646 1.000 16.82438 C ? A ? 85 CB 1
   ATOM 1794 CG . PHE A 86 ? 0.63334 44.57510 23.23481 1.000 19.23227 C ? A ? 85 CG 1
   ATOM 1795 CD1 . PHE A 86 ? 1.20224 45.15008 22.11263 1.000 20.62683 C ? A ? 85 CD1 1
   ATOM 1796 CD2 . PHE A 86 ? -0.09954 43.39000 23.09364 1.000 20.59085 C ? A ? 85 CD2 1
   ATOM 1797 CE1 . PHE A 86 ? 1.04380 44.56447 20.86733 1.000 22.79055 C ? A ? 85 CE1 1
   ATOM 1798 CE2 . PHE A 86 ? -0.25678 42.81910 21.85457 1.000 19.95870 C ? A ? 85 CE2 1
   ATOM 1799 CZ . PHE A 86 ? 0.32060 43.41060 20.74616 1.000 25.77057 C ? A ? 85 CZ 1
   ATOM 1800 HA . PHE A 86 ? 0.48202 47.20340 24.22025 1.000 25.69246 H ? A ? 85 HA 1
   ATOM 1801 HB2 . PHE A 86 ? 1.69545 45.36031 24.75808 1.000 20.19006 H ? A ? 85 HB2 1
   ATOM 1802 HB3 . PHE A 86 ? 0.40175 44.57178 25.23765 1.000 20.19006 H ? A ? 85 HB3 1
   ATOM 1803 HD1 . PHE A 86 ? 1.69431 45.93495 22.19479 1.000 24.75300 H ? A ? 85 HD1 1
   ATOM 1804 HD2 . PHE A 86 ? -0.48071 42.98861 23.84096 1.000 24.70983 H ? A ? 85 HD2 1
   ATOM 1805 HE1 . PHE A 86 ? 1.42821 44.95505 20.11595 1.000 27.34947 H ? A ? 85 HE1 1
   ATOM 1806 HE2 . PHE A 86 ? -0.75045 42.03650 21.76121 1.000 23.95125 H ? A ? 85 HE2 1
   ATOM 1807 HZ . PHE A 86 ? 0.21586 43.01924 19.90905 1.000 30.92549 H ? A ? 85 HZ 1
   ATOM 1808 H A PHE A 86 ? 0.13551 46.27210 26.65879 0.380 25.97630 H ? A ? 85 H 1
   ATOM 1809 H B PHE A 86 ? 0.35116 46.39534 26.64102 0.447 25.97630 H ? A ? 85 H 1
   ATOM 1810 H C PHE A 86 ? 0.26281 46.32318 26.64002 0.173 25.97630 H ? A ? 85 H 1
   ATOM 1811 N A GLN A 87 ? -2.30017 45.69886 24.80121 0.475 19.95658 N ? A ? 86 N 1
   ATOM 1812 CA A GLN A 87 ? -3.64649 45.49129 24.26192 0.475 20.73208 C ? A ? 86 CA 1
   ATOM 1813 C A GLN A 87 ? -4.47738 46.78351 24.24663 0.475 17.41987 C ? A ? 86 C 1
   ATOM 1814 O A GLN A 87 ? -5.40860 46.92179 23.45207 0.475 18.34607 O ? A ? 86 O 1
   ATOM 1815 CB A GLN A 87 ? -4.35969 44.39123 25.06023 0.475 23.36814 C ? A ? 86 CB 1
   ATOM 1816 CG A GLN A 87 ? -3.64664 43.01028 25.05601 0.475 17.58750 C ? A ? 86 CG 1
   ATOM 1817 CD A GLN A 87 ? -4.40625 41.92662 25.79630 0.475 19.41742 C ? A ? 86 CD 1
   ATOM 1818 OE1 A GLN A 87 ? -4.16794 41.72533 26.97813 0.475 21.45602 O ? A ? 86 OE1 1
   ATOM 1819 NE2 A GLN A 87 ? -5.31422 41.21757 25.11188 0.475 25.51794 N ? A ? 86 NE2 1
   ATOM 1820 H A GLN A 87 ? -2.16234 45.35194 25.57596 0.475 23.94870 H ? A ? 86 H 1
   ATOM 1821 HA A GLN A 87 ? -3.56976 45.19499 23.34147 0.475 24.87931 H ? A ? 86 HA 1
   ATOM 1822 HB2 A GLN A 87 ? -4.43081 44.67912 25.98379 0.475 28.04258 H ? A ? 86 HB2 1
   ATOM 1823 HB3 A GLN A 87 ? -5.24435 44.26302 24.68363 0.475 28.04258 H ? A ? 86 HB3 1
   ATOM 1824 HG2 A GLN A 87 ? -3.53640 42.71886 24.13742 0.475 21.10580 H ? A ? 86 HG2 1
   ATOM 1825 HG3 A GLN A 87 ? -2.77951 43.10558 25.48016 0.475 21.10580 H ? A ? 86 HG3 1
   ATOM 1826 HE21 A GLN A 87 ? -5.45077 41.38357 24.27917 0.475 30.62234 H ? A ? 86 HE21 1
   ATOM 1827 HE22 A GLN A 87 ? -5.76040 40.59650 25.50533 0.475 30.62234 H ? A ? 86 HE22 1
   ATOM 1828 N B GLN A 87 ? -2.27837 45.66286 24.76001 0.525 19.40964 N ? A ? 86 N 1
   ATOM 1829 CA B GLN A 87 ? -3.59067 45.54740 24.14294 0.525 19.32675 C ? A ? 86 CA 1
   ATOM 1830 C B GLN A 87 ? -4.33389 46.87892 24.10823 0.525 21.54650 C ? A ? 86 C 1
   ATOM 1831 O B GLN A 87 ? -5.02595 47.15398 23.12941 0.525 17.50928 O ? A ? 86 O 1
   ATOM 1832 CB B GLN A 87 ? -4.41658 44.44050 24.77323 0.525 19.68952 C ? A ? 86 CB 1
   ATOM 1833 CG B GLN A 87 ? -3.97853 43.06175 24.30755 0.525 14.73244 C ? A ? 86 CG 1
   ATOM 1834 CD B GLN A 87 ? -4.97961 42.00199 24.67872 0.525 20.40143 C ? A ? 86 CD 1
   ATOM 1835 OE1 B GLN A 87 ? -5.94361 41.76208 23.95393 0.525 19.58790 O ? A ? 86 OE1 1
   ATOM 1836 NE2 B GLN A 87 ? -4.77091 41.35686 25.82887 0.525 16.93089 N ? A ? 86 NE2 1
   ATOM 1837 H B GLN A 87 ? -2.15498 45.26064 25.51008 0.525 23.29238 H ? A ? 86 H 1
   ATOM 1838 HA B GLN A 87 ? -3.46114 45.27760 23.22026 0.525 23.19290 H ? A ? 86 HA 1
   ATOM 1839 HB2 B GLN A 87 ? -4.31800 44.47998 25.73740 0.525 23.62823 H ? A ? 86 HB2 1
   ATOM 1840 HB3 B GLN A 87 ? -5.34780 44.56069 24.52975 0.525 23.62823 H ? A ? 86 HB3 1
   ATOM 1841 HG2 B GLN A 87 ? -3.88376 43.06552 23.34220 0.525 17.67973 H ? A ? 86 HG2 1
   ATOM 1842 HG3 B GLN A 87 ? -3.13109 42.83821 24.72322 0.525 17.67973 H ? A ? 86 HG3 1
   ATOM 1843 HE21 B GLN A 87 ? -4.09056 41.55546 26.31598 0.525 20.31787 H ? A ? 86 HE21 1
   ATOM 1844 HE22 B GLN A 87 ? -5.31685 40.74271 26.08261 0.525 20.31787 H ? A ? 86 HE22 1
   ATOM 1845 N . ASP A 88 ? -4.15201 47.72667 25.12597 1.000 19.07394 N ? A ? 87 N 1
   ATOM 1846 CA . ASP A 88 ? -4.74932 49.06037 25.08459 1.000 20.33837 C ? A ? 87 CA 1
   ATOM 1847 C . ASP A 88 ? -4.26729 49.82668 23.88110 1.000 19.53696 C ? A ? 87 C 1
   ATOM 1848 O . ASP A 88 ? -5.05590 50.53295 23.24202 1.000 21.93587 O ? A ? 87 O 1
   ATOM 1849 CB . ASP A 88 ? -4.38866 49.84222 26.34193 1.000 24.77659 C ? A ? 87 CB 1
   ATOM 1850 CG . ASP A 88 ? -5.12579 49.38901 27.56872 1.000 30.80925 C ? A ? 87 CG 1
   ATOM 1851 OD1 . ASP A 88 ? -6.13073 48.67624 27.49271 1.000 35.42706 O ? A ? 87 OD1 1
   ATOM 1852 OD2 . ASP A 88 ? -4.66033 49.79604 28.66619 1.000 33.29780 O ? A ? 87 OD2 1
   ATOM 1853 HA . ASP A 88 ? -5.71324 48.96064 25.04200 1.000 24.40685 H ? A ? 87 HA 1
   ATOM 1854 HB2 . ASP A 88 ? -3.43937 49.73872 26.51235 1.000 29.73271 H ? A ? 87 HB2 1
   ATOM 1855 HB3 . ASP A 88 ? -4.59996 50.77807 26.19897 1.000 29.73271 H ? A ? 87 HB3 1
   ATOM 1856 H A ASP A 88 ? -3.58359 47.62157 25.76272 0.475 22.88953 H ? A ? 87 H 1
   ATOM 1857 H B ASP A 88 ? -3.69700 47.55667 25.83566 0.525 22.88953 H ? A ? 87 H 1
   ATOM 1858 N A ASN A 89 ? -2.96912 49.74996 23.56949 0.158 19.63759 N ? A ? 88 N 1
   ATOM 1859 CA A ASN A 89 ? -2.46092 50.39540 22.36566 0.158 19.05064 C ? A ? 88 CA 1
   ATOM 1860 C A ASN A 89 ? -3.03566 49.75660 21.10750 0.158 23.22514 C ? A ? 88 C 1
   ATOM 1861 O A ASN A 89 ? -3.22445 50.44578 20.09742 0.158 23.18700 O ? A ? 88 O 1
   ATOM 1862 CB A ASN A 89 ? -0.92844 50.37193 22.33925 0.158 20.16135 C ? A ? 88 CB 1
   ATOM 1863 CG A ASN A 89 ? -0.31325 51.50138 23.14856 0.158 22.48601 C ? A ? 88 CG 1
   ATOM 1864 OD1 A ASN A 89 ? -0.44108 52.67624 22.79650 0.158 24.95010 O ? A ? 88 OD1 1
   ATOM 1865 ND2 A ASN A 89 ? 0.35683 51.15071 24.23926 0.158 17.52629 N ? A ? 88 ND2 1
   ATOM 1866 H A ASN A 89 ? -2.37454 49.33625 24.03307 0.158 23.56591 H ? A ? 88 H 1
   ATOM 1867 HA A ASN A 89 ? -2.72915 51.32749 22.37831 0.158 22.86158 H ? A ? 88 HA 1
   ATOM 1868 HB2 A ASN A 89 ? -0.61808 49.53168 22.71149 0.158 24.19443 H ? A ? 88 HB2 1
   ATOM 1869 HB3 A ASN A 89 ? -0.62608 50.46016 21.42181 0.158 24.19443 H ? A ? 88 HB3 1
   ATOM 1870 HD21 A ASN A 89 ? 0.72354 51.75345 24.73102 0.158 21.03236 H ? A ? 88 HD21 1
   ATOM 1871 HD22 A ASN A 89 ? 0.42431 50.32075 24.45423 0.158 21.03236 H ? A ? 88 HD22 1
   ATOM 1872 N B ASN A 89 ? -2.95165 49.77341 23.59522 0.414 19.72182 N ? A ? 88 N 1
   ATOM 1873 CA B ASN A 89 ? -2.41097 50.38289 22.38349 0.414 19.50649 C ? A ? 88 CA 1
   ATOM 1874 C B ASN A 89 ? -3.03330 49.76293 21.12927 0.414 22.96228 C ? A ? 88 C 1
   ATOM 1875 O B ASN A 89 ? -3.27271 50.47568 20.14721 0.414 23.31178 O ? A ? 88 O 1
   ATOM 1876 CB B ASN A 89 ? -0.86980 50.28063 22.35478 0.414 20.44777 C ? A ? 88 CB 1
   ATOM 1877 CG B ASN A 89 ? -0.16528 51.31692 23.26794 0.414 22.15765 C ? A ? 88 CG 1
   ATOM 1878 OD1 B ASN A 89 ? 0.38643 52.31734 22.79363 0.414 22.96874 O ? A ? 88 OD1 1
   ATOM 1879 ND2 B ASN A 89 ? -0.16576 51.05802 24.57428 0.414 22.55112 N ? A ? 88 ND2 1
   ATOM 1880 H B ASN A 89 ? -2.36027 49.39067 24.08854 0.414 23.66698 H ? A ? 88 H 1
   ATOM 1881 HA B ASN A 89 ? -2.62458 51.32908 22.38650 0.414 23.40860 H ? A ? 88 HA 1
   ATOM 1882 HB2 B ASN A 89 ? -0.60883 49.39551 22.65371 0.414 24.53813 H ? A ? 88 HB2 1
   ATOM 1883 HB3 B ASN A 89 ? -0.56281 50.42797 21.44652 0.414 24.53813 H ? A ? 88 HB3 1
   ATOM 1884 HD21 B ASN A 89 ? 0.21266 51.60356 25.12090 0.414 27.06215 H ? A ? 88 HD21 1
   ATOM 1885 HD22 B ASN A 89 ? -0.54449 50.34530 24.87125 0.414 27.06215 H ? A ? 88 HD22 1
   ATOM 1886 N C ASN A 89 ? -2.99124 49.71403 23.53974 0.428 19.79743 N ? A ? 88 N 1
   ATOM 1887 CA C ASN A 89 ? -2.52263 50.39466 22.34532 0.428 19.36119 C ? A ? 88 CA 1
   ATOM 1888 C C ASN A 89 ? -3.05237 49.74580 21.08814 0.428 22.89735 C ? A ? 88 C 1
   ATOM 1889 O C ASN A 89 ? -3.22767 50.41917 20.06505 0.428 23.03817 O ? A ? 88 O 1
   ATOM 1890 CB C ASN A 89 ? -1.01072 50.42014 22.34473 0.428 20.42036 C ? A ? 88 CB 1
   ATOM 1891 CG C ASN A 89 ? -0.49576 51.59119 23.09205 0.428 23.29391 C ? A ? 88 CG 1
   ATOM 1892 OD1 C ASN A 89 ? -1.13023 52.64559 23.08096 0.428 21.42282 O ? A ? 88 OD1 1
   ATOM 1893 ND2 C ASN A 89 ? 0.59893 51.42373 23.79224 0.428 22.47352 N ? A ? 88 ND2 1
   ATOM 1894 H C ASN A 89 ? -2.39641 49.26456 23.96842 0.428 23.75772 H ? A ? 88 H 1
   ATOM 1895 HA C ASN A 89 ? -2.83989 51.31129 22.35099 0.428 23.23423 H ? A ? 88 HA 1
   ATOM 1896 HB2 C ASN A 89 ? -0.67465 49.61443 22.76756 0.428 24.50523 H ? A ? 88 HB2 1
   ATOM 1897 HB3 C ASN A 89 ? -0.68965 50.47396 21.43100 0.428 24.50523 H ? A ? 88 HB3 1
   ATOM 1898 HD21 C ASN A 89 ? 0.92813 52.08053 24.23927 0.428 26.96902 H ? A ? 88 HD21 1
   ATOM 1899 HD22 C ASN A 89 ? 0.98826 50.65700 23.80480 0.428 26.96902 H ? A ? 88 HD22 1
   ATOM 1900 N . ILE A 90 ? -3.30708 48.44805 21.14240 1.000 22.86188 N ? A ? 89 N 1
   ATOM 1901 CA . ILE A 90 ? -3.99849 47.81254 20.02737 1.000 21.53765 C ? A ? 89 CA 1
   ATOM 1902 C . ILE A 90 ? -5.39621 48.41685 19.84613 1.000 22.47931 C ? A ? 89 C 1
   ATOM 1903 O . ILE A 90 ? -5.83267 48.64167 18.71098 1.000 25.20942 O ? A ? 89 O 1
   ATOM 1904 CB . ILE A 90 ? -4.09276 46.29097 20.23147 1.000 21.43851 C ? A ? 89 CB 1
   ATOM 1905 CG1 . ILE A 90 ? -2.73176 45.57043 20.09499 1.000 22.89763 C ? A ? 89 CG1 1
   ATOM 1906 CG2 . ILE A 90 ? -5.06001 45.67962 19.21544 1.000 30.52180 C ? A ? 89 CG2 1
   ATOM 1907 CD1 . ILE A 90 ? -2.11617 45.65763 18.72704 1.000 26.99211 C ? A ? 89 CD1 1
   ATOM 1908 HA . ILE A 90 ? -3.47743 47.98072 19.22668 1.000 25.84599 H ? A ? 89 HA 1
   ATOM 1909 HB . ILE A 90 ? -4.40941 46.16703 21.13991 1.000 25.72702 H ? A ? 89 HB 1
   ATOM 1910 HG12 . ILE A 90 ? -2.10774 45.96680 20.72300 1.000 27.47796 H ? A ? 89 HG12 1
   ATOM 1911 HG13 . ILE A 90 ? -2.85742 44.63081 20.30047 1.000 27.47796 H ? A ? 89 HG13 1
   ATOM 1912 HG21 . ILE A 90 ? -4.89393 44.72581 19.15562 1.000 36.62696 H ? A ? 89 HG21 1
   ATOM 1913 HG22 . ILE A 90 ? -5.97022 45.83903 19.51040 1.000 36.62696 H ? A ? 89 HG22 1
   ATOM 1914 HG23 . ILE A 90 ? -4.91471 46.09551 18.35125 1.000 36.62696 H ? A ? 89 HG23 1
   ATOM 1915 HD11 . ILE A 90 ? -1.17799 45.41865 18.78711 1.000 32.39133 H ? A ? 89 HD11 1
   ATOM 1916 HD12 . ILE A 90 ? -2.57659 45.04364 18.13381 1.000 32.39133 H ? A ? 89 HD12 1
   ATOM 1917 HD13 . ILE A 90 ? -2.20579 46.56560 18.39770 1.000 32.39133 H ? A ? 89 HD13 1
   ATOM 1918 H A ILE A 90 ? -3.10403 47.91896 21.78926 0.158 27.43506 H ? A ? 89 H 1
   ATOM 1919 H B ILE A 90 ? -3.10211 47.91189 21.78280 0.414 27.43506 H ? A ? 89 H 1
   ATOM 1920 H C ILE A 90 ? -3.09771 47.92559 21.79262 0.428 27.43506 H ? A ? 89 H 1
   ATOM 1921 N . VAL A 91 ? -6.12329 48.68100 20.95124 1.000 24.44819 N ? A ? 90 N 1
   ATOM 1922 CA . VAL A 91 ? -7.42756 49.34651 20.83195 1.000 27.80638 C ? A ? 90 CA 1
   ATOM 1923 C . VAL A 91 ? -7.29622 50.65197 20.07821 1.000 23.52404 C ? A ? 90 C 1
   ATOM 1924 O . VAL A 91 ? -8.15706 51.01028 19.25321 1.000 25.14746 O ? A ? 90 O 1
   ATOM 1925 CB . VAL A 91 ? -8.04586 49.55579 22.22140 1.000 23.19832 C ? A ? 90 CB 1
   ATOM 1926 CG1 . VAL A 91 ? -9.34734 50.40276 22.12938 1.000 24.39005 C ? A ? 90 CG1 1
   ATOM 1927 CG2 . VAL A 91 ? -8.36799 48.24110 22.87150 1.000 30.74770 C ? A ? 90 CG2 1
   ATOM 1928 H . VAL A 91 ? -5.88735 48.48921 21.75569 1.000 29.33863 H ? A ? 90 H 1
   ATOM 1929 HA . VAL A 91 ? -8.01856 48.77043 20.32229 1.000 33.36846 H ? A ? 90 HA 1
   ATOM 1930 HB . VAL A 91 ? -7.39470 50.02807 22.76346 1.000 27.83879 H ? A ? 90 HB 1
   ATOM 1931 HG11 . VAL A 91 ? -9.76336 50.43860 23.00490 1.000 29.26887 H ? A ? 90 HG11 1
   ATOM 1932 HG12 . VAL A 91 ? -9.12099 51.29846 21.83379 1.000 29.26887 H ? A ? 90 HG12 1
   ATOM 1933 HG13 . VAL A 91 ? -9.95035 49.98705 21.49340 1.000 29.26887 H ? A ? 90 HG13 1
   ATOM 1934 HG21 . VAL A 91 ? -8.74793 48.40712 23.74842 1.000 36.89805 H ? A ? 90 HG21 1
   ATOM 1935 HG22 . VAL A 91 ? -9.00678 47.76381 22.31920 1.000 36.89805 H ? A ? 90 HG22 1
   ATOM 1936 HG23 . VAL A 91 ? -7.55248 47.72290 22.95705 1.000 36.89805 H ? A ? 90 HG23 1
   ATOM 1937 N . LYS A 92 ? -6.23054 51.39465 20.35294 1.000 24.07423 N ? A ? 91 N 1
   ATOM 1938 CA . LYS A 92 ? -6.06073 52.68387 19.70497 1.000 22.41899 C ? A ? 91 CA 1
   ATOM 1939 C . LYS A 92 ? -5.74643 52.52389 18.22460 1.000 23.46268 C ? A ? 91 C 1
   ATOM 1940 O . LYS A 92 ? -6.16622 53.34695 17.39101 1.000 24.82205 O ? A ? 91 O 1
   ATOM 1941 CB . LYS A 92 ? -4.96022 53.45124 20.40139 1.000 24.06809 C ? A ? 91 CB 1
   ATOM 1942 CG . LYS A 92 ? -4.64808 54.80826 19.81916 1.000 27.54312 C ? A ? 91 CG 1
   ATOM 1943 CD . LYS A 92 ? -4.02414 55.77447 20.83002 1.000 37.72192 C ? A ? 91 CD 1
   ATOM 1944 CE . LYS A 92 ? -3.09448 55.07537 21.79892 1.000 41.02637 C ? A ? 91 CE 1
   ATOM 1945 NZ . LYS A 92 ? -1.75811 54.76617 21.23899 1.000 41.23042 N ? A ? 91 NZ 1
   ATOM 1946 H . LYS A 92 ? -5.60366 51.17827 20.90048 1.000 28.88989 H ? A ? 91 H 1
   ATOM 1947 HA . LYS A 92 ? -6.88549 53.18913 19.77824 1.000 26.90360 H ? A ? 91 HA 1
   ATOM 1948 HB2 . LYS A 92 ? -5.22021 53.58635 21.32608 1.000 28.88252 H ? A ? 91 HB2 1
   ATOM 1949 HB3 . LYS A 92 ? -4.14678 52.92453 20.35905 1.000 28.88252 H ? A ? 91 HB3 1
   ATOM 1950 HG2 . LYS A 92 ? -4.02135 54.69923 19.08689 1.000 33.05255 H ? A ? 91 HG2 1
   ATOM 1951 HG3 . LYS A 92 ? -5.47049 55.20778 19.49526 1.000 33.05255 H ? A ? 91 HG3 1
   ATOM 1952 HD2 . LYS A 92 ? -3.51209 56.44630 20.35320 1.000 45.26711 H ? A ? 91 HD2 1
   ATOM 1953 HD3 . LYS A 92 ? -4.73041 56.19771 21.34281 1.000 45.26711 H ? A ? 91 HD3 1
   ATOM 1954 HE2 . LYS A 92 ? -2.96428 55.64640 22.57214 1.000 49.23245 H ? A ? 91 HE2 1
   ATOM 1955 HE3 . LYS A 92 ? -3.50068 54.23728 22.07007 1.000 49.23245 H ? A ? 91 HE3 1
   ATOM 1956 HZ1 . LYS A 92 ? -1.27532 54.31482 21.83506 1.000 49.47731 H ? A ? 91 HZ1 1
   ATOM 1957 HZ2 . LYS A 92 ? -1.84311 54.27292 20.50307 1.000 49.47731 H ? A ? 91 HZ2 1
   ATOM 1958 HZ3 . LYS A 92 ? -1.33219 55.52020 21.03371 1.000 49.47731 H ? A ? 91 HZ3 1
   ATOM 1959 N . LEU A 93 ? -4.99600 51.47890 17.87592 1.000 25.15737 N ? A ? 92 N 1
   ATOM 1960 CA . LEU A 93 ? -4.76109 51.18859 16.46967 1.000 23.42200 C ? A ? 92 CA 1
   ATOM 1961 C . LEU A 93 ? -6.04684 50.75041 15.77220 1.000 20.88055 C ? A ? 92 C 1
   ATOM 1962 O . LEU A 93 ? -6.28190 51.15114 14.62171 1.000 24.44657 O ? A ? 92 O 1
   ATOM 1963 CB . LEU A 93 ? -3.68428 50.09205 16.37348 1.000 25.34557 C ? A ? 92 CB 1
   ATOM 1964 CG . LEU A 93 ? -3.18362 49.69637 14.98418 1.000 23.56228 C ? A ? 92 CG 1
   ATOM 1965 CD1 . LEU A 93 ? -2.39934 50.79148 14.31974 1.000 26.54844 C ? A ? 92 CD1 1
   ATOM 1966 CD2 . LEU A 93 ? -2.33809 48.42512 15.13236 1.000 22.10537 C ? A ? 92 CD2 1
   ATOM 1967 H . LEU A 93 ? -4.61990 50.93462 18.42538 1.000 30.18965 H ? A ? 92 H 1
   ATOM 1968 HA . LEU A 93 ? -4.44354 51.98449 16.01513 1.000 28.10721 H ? A ? 92 HA 1
   ATOM 1969 HB2 . LEU A 93 ? -2.90979 50.39549 16.87247 1.000 30.41549 H ? A ? 92 HB2 1
   ATOM 1970 HB3 . LEU A 93 ? -4.04577 49.28819 16.77847 1.000 30.41549 H ? A ? 92 HB3 1
   ATOM 1971 HG . LEU A 93 ? -3.94078 49.53136 14.40076 1.000 28.27554 H ? A ? 92 HG 1
   ATOM 1972 HD11 . LEU A 93 ? -2.10442 50.48456 13.44812 1.000 31.85894 H ? A ? 92 HD11 1
   ATOM 1973 HD12 . LEU A 93 ? -2.96742 51.57151 14.22097 1.000 31.85894 H ? A ? 92 HD12 1
   ATOM 1974 HD13 . LEU A 93 ? -1.63148 51.00917 14.87101 1.000 31.85894 H ? A ? 92 HD13 1
   ATOM 1975 HD21 . LEU A 93 ? -2.09012 48.10620 14.25048 1.000 26.52725 H ? A ? 92 HD21 1
   ATOM 1976 HD22 . LEU A 93 ? -1.54134 48.63372 15.64478 1.000 26.52725 H ? A ? 92 HD22 1
   ATOM 1977 HD23 . LEU A 93 ? -2.86057 47.75027 15.59332 1.000 26.52725 H ? A ? 92 HD23 1
   ATOM 1978 N . SER A 94 ? -6.88600 49.94993 16.44585 1.000 23.17759 N ? A ? 93 N 1
   ATOM 1979 CA . SER A 94 ? -8.18551 49.64261 15.86768 1.000 24.12726 C ? A ? 93 CA 1
   ATOM 1980 C . SER A 94 ? -8.99160 50.90031 15.60759 1.000 24.20696 C ? A ? 93 C 1
   ATOM 1981 O . SER A 94 ? -9.63328 51.00998 14.56304 1.000 22.61570 O ? A ? 93 O 1
   ATOM 1982 CB . SER A 94 ? -8.95068 48.73325 16.79196 1.000 21.54275 C ? A ? 93 CB 1
   ATOM 1983 OG . SER A 94 ? -8.37259 47.43536 16.81855 1.000 25.62426 O ? A ? 93 OG 1
   ATOM 1984 H . SER A 94 ? -6.72662 49.58902 17.21000 1.000 27.81391 H ? A ? 93 H 1
   ATOM 1985 HA . SER A 94 ? -8.04592 49.18943 15.02148 1.000 28.95352 H ? A ? 93 HA 1
   ATOM 1986 HB2 . SER A 94 ? -8.93217 49.10541 17.68753 1.000 25.85210 H ? A ? 93 HB2 1
   ATOM 1987 HB3 . SER A 94 ? -9.86661 48.66447 16.48014 1.000 25.85210 H ? A ? 93 HB3 1
   ATOM 1988 HG . SER A 94 ? -7.58200 47.47868 17.09907 1.000 30.74992 H ? A ? 93 HG 1
   ATOM 1989 N . ALA A 95 ? -8.97131 51.86552 16.53895 1.000 22.04255 N ? A ? 94 N 1
   ATOM 1990 CA . ALA A 95 ? -9.75800 53.07366 16.35534 1.000 24.99667 C ? A ? 94 CA 1
   ATOM 1991 C . ALA A 95 ? -9.27663 53.82385 15.13915 1.000 23.39686 C ? A ? 94 C 1
   ATOM 1992 O . ALA A 95 ? -10.08882 54.27841 14.30884 1.000 25.42888 O ? A ? 94 O 1
   ATOM 1993 CB . ALA A 95 ? -9.70158 53.90952 17.63011 1.000 29.19540 C ? A ? 94 CB 1
   ATOM 1994 H . ALA A 95 ? -8.51701 51.83845 17.26866 1.000 26.45187 H ? A ? 94 H 1
   ATOM 1995 HA . ALA A 95 ? -10.69213 52.85968 16.20530 1.000 29.99681 H ? A ? 94 HA 1
   ATOM 1996 HB1 . ALA A 95 ? -10.23239 54.71177 17.50546 1.000 35.03528 H ? A ? 94 HB1 1
   ATOM 1997 HB2 . ALA A 95 ? -10.05843 53.38780 18.36589 1.000 35.03528 H ? A ? 94 HB2 1
   ATOM 1998 HB3 . ALA A 95 ? -8.77890 54.14813 17.81072 1.000 35.03528 H ? A ? 94 HB3 1
   ATOM 1999 N A ALA A 96 ? -7.95794 53.96662 15.00535 0.321 23.74756 N ? A ? 95 N 1
   ATOM 2000 CA A ALA A 96 ? -7.38824 54.64892 13.85472 0.321 22.81087 C ? A ? 95 CA 1
   ATOM 2001 C A ALA A 96 ? -7.77128 53.94825 12.55455 0.321 23.23110 C ? A ? 95 C 1
   ATOM 2002 O A ALA A 96 ? -8.19340 54.59438 11.58812 0.321 23.93614 O ? A ? 95 O 1
   ATOM 2003 CB A ALA A 96 ? -5.86758 54.69672 13.99645 0.321 30.04208 C ? A ? 95 CB 1
   ATOM 2004 H A ALA A 96 ? -7.37521 53.67685 15.56754 0.321 28.49788 H ? A ? 95 H 1
   ATOM 2005 HA A ALA A 96 ? -7.73113 55.55575 13.82328 0.321 27.37384 H ? A ? 95 HA 1
   ATOM 2006 HB1 A ALA A 96 ? -5.49287 55.15309 13.22689 0.321 36.05130 H ? A ? 95 HB1 1
   ATOM 2007 HB2 A ALA A 96 ? -5.64101 55.17672 14.80835 0.321 36.05130 H ? A ? 95 HB2 1
   ATOM 2008 HB3 A ALA A 96 ? -5.52599 53.79000 14.04200 0.321 36.05130 H ? A ? 95 HB3 1
   ATOM 2009 N B ALA A 96 ? -7.95847 53.95243 14.99849 0.679 23.81546 N ? A ? 95 N 1
   ATOM 2010 CA B ALA A 96 ? -7.37660 54.64674 13.86155 0.679 22.90106 C ? A ? 95 CA 1
   ATOM 2011 C B ALA A 96 ? -7.70785 53.95335 12.54246 0.679 23.29123 C ? A ? 95 C 1
   ATOM 2012 O B ALA A 96 ? -8.00149 54.61705 11.53931 0.679 25.16876 O ? A ? 95 O 1
   ATOM 2013 CB B ALA A 96 ? -5.85981 54.72002 14.03387 0.679 30.57140 C ? A ? 95 CB 1
   ATOM 2014 H B ALA A 96 ? -7.37750 53.64378 15.55240 0.679 28.57936 H ? A ? 95 H 1
   ATOM 2015 HA B ALA A 96 ? -7.74182 55.54480 13.82981 0.679 27.48207 H ? A ? 95 HA 1
   ATOM 2016 HB1 B ALA A 96 ? -5.47804 55.18849 13.27512 0.679 36.68648 H ? A ? 95 HB1 1
   ATOM 2017 HB2 B ALA A 96 ? -5.65781 55.19792 14.85345 0.679 36.68648 H ? A ? 95 HB2 1
   ATOM 2018 HB3 B ALA A 96 ? -5.50331 53.81908 14.07986 0.679 36.68648 H ? A ? 95 HB3 1
   ATOM 2019 N . ALA A 97 ? -7.63444 52.61653 12.51181 1.000 24.02893 N ? A ? 96 N 1
   ATOM 2020 CA . ALA A 97 ? -7.91789 51.88282 11.28315 1.000 20.94640 C ? A ? 96 CA 1
   ATOM 2021 C . ALA A 97 ? -9.38497 51.99809 10.93084 1.000 22.27302 C ? A ? 96 C 1
   ATOM 2022 O . ALA A 97 ? -9.73339 52.14984 9.75316 1.000 24.65337 O ? A ? 96 O 1
   ATOM 2023 CB . ALA A 97 ? -7.53428 50.41305 11.45689 1.000 25.81860 C ? A ? 96 CB 1
   ATOM 2024 HA . ALA A 97 ? -7.38911 52.25116 10.55816 1.000 25.13649 H ? A ? 96 HA 1
   ATOM 2025 HB1 . ALA A 97 ? -7.69869 49.94322 10.62435 1.000 30.98313 H ? A ? 96 HB1 1
   ATOM 2026 HB2 . ALA A 97 ? -6.59387 50.35731 11.68803 1.000 30.98313 H ? A ? 96 HB2 1
   ATOM 2027 HB3 . ALA A 97 ? -8.07258 50.02787 12.16596 1.000 30.98313 H ? A ? 96 HB3 1
   ATOM 2028 H A ALA A 97 ? -7.38282 52.12588 13.17178 0.321 28.83552 H ? A ? 96 H 1
   ATOM 2029 H B ALA A 97 ? -7.42502 52.12049 13.18240 0.679 28.83552 H ? A ? 96 H 1
   ATOM 2030 N A ASP A 98 ? -10.25735 51.89395 11.94162 0.372 24.96382 N ? A ? 97 N 1
   ATOM 2031 CA A ASP A 98 ? -11.69361 52.00001 11.72466 0.372 24.45108 C ? A ? 97 CA 1
   ATOM 2032 C A ASP A 98 ? -12.09648 53.40039 11.27532 0.372 24.79360 C ? A ? 97 C 1
   ATOM 2033 O A ASP A 98 ? -13.14366 53.55971 10.63524 0.372 27.75800 O ? A ? 97 O 1
   ATOM 2034 CB A ASP A 98 ? -12.43129 51.63790 13.01641 0.372 24.49767 C ? A ? 97 CB 1
   ATOM 2035 CG A ASP A 98 ? -12.45579 50.14706 13.28713 0.372 29.35584 C ? A ? 97 CG 1
   ATOM 2036 OD1 A ASP A 98 ? -11.95128 49.37478 12.44791 0.372 24.89113 O ? A ? 97 OD1 1
   ATOM 2037 OD2 A ASP A 98 ? -12.98540 49.73876 14.34315 0.372 29.79359 O ? A ? 97 OD2 1
   ATOM 2038 H A ASP A 98 ? -10.03780 51.76153 12.76251 0.372 29.95739 H ? A ? 97 H 1
   ATOM 2039 HA A ASP A 98 ? -11.95304 51.37579 11.02900 0.372 29.34210 H ? A ? 97 HA 1
   ATOM 2040 HB2 A ASP A 98 ? -11.98878 52.07002 13.76365 0.372 29.39800 H ? A ? 97 HB2 1
   ATOM 2041 HB3 A ASP A 98 ? -13.34913 51.94494 12.95173 0.372 29.39800 H ? A ? 97 HB3 1
   ATOM 2042 N B ASP A 98 ? -10.26556 51.85478 11.92900 0.628 24.81972 N ? A ? 97 N 1
   ATOM 2043 CA B ASP A 98 ? -11.69332 51.99828 11.68020 0.628 24.34955 C ? A ? 97 CA 1
   ATOM 2044 C B ASP A 98 ? -12.03234 53.39392 11.16447 0.628 23.98639 C ? A ? 97 C 1
   ATOM 2045 O B ASP A 98 ? -12.96348 53.54610 10.35910 0.628 32.38615 O ? A ? 97 O 1
   ATOM 2046 CB B ASP A 98 ? -12.45021 51.71930 12.97591 0.628 24.53810 C ? A ? 97 CB 1
   ATOM 2047 CG B ASP A 98 ? -12.40968 50.25643 13.39088 0.628 28.49370 C ? A ? 97 CG 1
   ATOM 2048 OD1 B ASP A 98 ? -11.97766 49.39225 12.59027 0.628 26.01606 O ? A ? 97 OD1 1
   ATOM 2049 OD2 B ASP A 98 ? -12.81975 49.95967 14.53405 0.628 30.62242 O ? A ? 97 OD2 1
   ATOM 2050 H B ASP A 98 ? -10.06042 51.67709 12.74505 0.628 29.78446 H ? A ? 97 H 1
   ATOM 2051 HA B ASP A 98 ? -11.97220 51.35737 11.00763 0.628 29.22026 H ? A ? 97 HA 1
   ATOM 2052 HB2 B ASP A 98 ? -12.05430 52.24274 13.69017 0.628 29.44653 H ? A ? 97 HB2 1
   ATOM 2053 HB3 B ASP A 98 ? -13.37977 51.96971 12.85711 0.628 29.44653 H ? A ? 97 HB3 1
   ATOM 2054 N . ALA A 99 ? -11.30575 54.42053 11.61295 1.000 25.69286 N ? A ? 98 N 1
   ATOM 2055 CA . ALA A 99 ? -11.57152 55.78601 11.17744 1.000 30.59916 C ? A ? 98 CA 1
   ATOM 2056 C . ALA A 99 ? -11.01668 56.07442 9.78857 1.000 27.91790 C ? A ? 98 C 1
   ATOM 2057 O . ALA A 99 ? -11.38568 57.09493 9.18690 1.000 31.17714 O ? A ? 98 O 1
   ATOM 2058 CB . ALA A 99 ? -10.99284 56.77565 12.19017 1.000 35.18328 C ? A ? 98 CB 1
   ATOM 2059 HA . ALA A 99 ? -12.53036 55.92908 11.14496 1.000 36.71980 H ? A ? 98 HA 1
   ATOM 2060 HB1 . ALA A 99 ? -11.17474 57.67928 11.88808 1.000 42.22074 H ? A ? 98 HB1 1
   ATOM 2061 HB2 . ALA A 99 ? -11.41005 56.62498 13.05280 1.000 42.22074 H ? A ? 98 HB2 1
   ATOM 2062 HB3 . ALA A 99 ? -10.03532 56.63563 12.25687 1.000 42.22074 H ? A ? 98 HB3 1
   ATOM 2063 H A ALA A 99 ? -10.60092 54.34402 12.09973 0.372 30.83224 H ? A ? 98 H 1
   ATOM 2064 H B ALA A 99 ? -10.65429 54.34882 12.16977 0.628 30.83224 H ? A ? 98 H 1
   ATOM 2065 N . GLY A 100 ? -10.16641 55.19858 9.25306 1.000 26.46930 N ? A ? 99 N 1
   ATOM 2066 CA . GLY A 100 ? -9.59550 55.42775 7.94335 1.000 26.51642 C ? A ? 99 CA 1
   ATOM 2067 C . GLY A 100 ? -8.64351 56.58888 7.87595 1.000 27.79672 C ? A ? 99 C 1
   ATOM 2068 O . GLY A 100 ? -8.51663 57.22013 6.81647 1.000 28.09191 O ? A ? 99 O 1
   ATOM 2069 H . GLY A 100 ? -9.90987 54.47006 9.63127 1.000 31.76396 H ? A ? 99 H 1
   ATOM 2070 HA2 . GLY A 100 ? -9.11407 54.63177 7.66849 1.000 31.82051 H ? A ? 99 HA2 1
   ATOM 2071 HA3 . GLY A 100 ? -10.31428 55.59521 7.31390 1.000 31.82051 H ? A ? 99 HA3 1
   ATOM 2072 N . ASP A 101 ? -7.94580 56.87628 8.96978 1.000 26.20654 N ? A ? 100 N 1
   ATOM 2073 CA . ASP A 101 ? -7.10766 58.06866 9.07672 1.000 25.30327 C ? A ? 100 CA 1
   ATOM 2074 C . ASP A 101 ? -5.64965 57.62161 9.13261 1.000 26.91443 C ? A ? 100 C 1
   ATOM 2075 O . ASP A 101 ? -5.20116 57.06773 10.15309 1.000 25.83961 O ? A ? 100 O 1
   ATOM 2076 CB . ASP A 101 ? -7.46830 58.84449 10.33851 1.000 32.22933 C ? A ? 100 CB 1
   ATOM 2077 CG . ASP A 101 ? -6.69196 60.13103 10.48055 1.000 38.57765 C ? A ? 100 CG 1
   ATOM 2078 OD1 . ASP A 101 ? -5.53257 60.22035 10.03151 1.000 32.00848 O ? A ? 100 OD1 1
   ATOM 2079 OD2 . ASP A 101 ? -7.25059 61.07662 11.08155 1.000 53.97981 O ? A ? 100 OD2 1
   ATOM 2080 H . ASP A 101 ? -7.94119 56.38691 9.67696 1.000 31.44866 H ? A ? 100 H 1
   ATOM 2081 HA . ASP A 101 ? -7.23497 58.63304 8.29816 1.000 30.36473 H ? A ? 100 HA 1
   ATOM 2082 HB2 . ASP A 101 ? -8.41233 59.06601 10.31348 1.000 38.67600 H ? A ? 100 HB2 1
   ATOM 2083 HB3 . ASP A 101 ? -7.27740 58.29288 11.11323 1.000 38.67600 H ? A ? 100 HB3 1
   ATOM 2084 N A LEU A 102 ? -4.90275 57.88911 8.05625 0.521 28.64145 N ? A ? 101 N 1
   ATOM 2085 CA A LEU A 102 ? -3.52782 57.39920 7.96381 0.521 31.90129 C ? A ? 101 CA 1
   ATOM 2086 C A LEU A 102 ? -2.57963 58.11119 8.92420 0.521 30.14437 C ? A ? 101 C 1
   ATOM 2087 O A LEU A 102 ? -1.52825 57.56231 9.26822 0.521 27.00321 O ? A ? 101 O 1
   ATOM 2088 CB A LEU A 102 ? -3.01942 57.49517 6.52538 0.521 32.82028 C ? A ? 101 CB 1
   ATOM 2089 CG A LEU A 102 ? -1.57816 57.08352 6.21722 0.521 35.01023 C ? A ? 101 CG 1
   ATOM 2090 CD1 A LEU A 102 ? -1.30668 55.64220 6.64086 0.521 34.00840 C ? A ? 101 CD1 1
   ATOM 2091 CD2 A LEU A 102 ? -1.23080 57.23972 4.72972 0.521 36.09116 C ? A ? 101 CD2 1
   ATOM 2092 H A LEU A 102 ? -5.16552 58.34549 7.37635 0.521 34.37054 H ? A ? 101 H 1
   ATOM 2093 HA A LEU A 102 ? -3.53028 56.46189 8.21351 0.521 38.28235 H ? A ? 101 HA 1
   ATOM 2094 HB2 A LEU A 102 ? -3.58822 56.93124 5.97826 0.521 39.38514 H ? A ? 101 HB2 1
   ATOM 2095 HB3 A LEU A 102 ? -3.10500 58.42084 6.24843 0.521 39.38514 H ? A ? 101 HB3 1
   ATOM 2096 HG A LEU A 102 ? -1.00668 57.67929 6.72651 0.521 42.01308 H ? A ? 101 HG 1
   ATOM 2097 HD11 A LEU A 102 ? -0.40906 55.39641 6.36742 0.521 40.81089 H ? A ? 101 HD11 1
   ATOM 2098 HD12 A LEU A 102 ? -1.38861 55.57569 7.60510 0.521 40.81089 H ? A ? 101 HD12 1
   ATOM 2099 HD13 A LEU A 102 ? -1.95389 55.06003 6.21296 0.521 40.81089 H ? A ? 101 HD13 1
   ATOM 2100 HD21 A LEU A 102 ? -0.31042 56.96715 4.59004 0.521 43.31020 H ? A ? 101 HD21 1
   ATOM 2101 HD22 A LEU A 102 ? -1.82481 56.67939 4.20619 0.521 43.31020 H ? A ? 101 HD22 1
   ATOM 2102 HD23 A LEU A 102 ? -1.34285 58.16898 4.47515 0.521 43.31020 H ? A ? 101 HD23 1
   ATOM 2103 N B LEU A 102 ? -4.91087 57.85714 8.04548 0.479 28.28674 N ? A ? 101 N 1
   ATOM 2104 CA B LEU A 102 ? -3.52891 57.39004 7.98538 0.479 31.93725 C ? A ? 101 CA 1
   ATOM 2105 C B LEU A 102 ? -2.67117 58.04355 9.06387 0.479 28.42696 C ? A ? 101 C 1
   ATOM 2106 O B LEU A 102 ? -1.79048 57.39783 9.63995 0.479 26.67560 O ? A ? 101 O 1
   ATOM 2107 CB B LEU A 102 ? -2.94500 57.62681 6.59257 0.479 33.53671 C ? A ? 101 CB 1
   ATOM 2108 CG B LEU A 102 ? -1.54684 57.07228 6.31749 0.479 35.02986 C ? A ? 101 CG 1
   ATOM 2109 CD1 B LEU A 102 ? -1.55787 55.54053 6.37660 0.479 33.06153 C ? A ? 101 CD1 1
   ATOM 2110 CD2 B LEU A 102 ? -0.97415 57.53342 4.97768 0.479 39.17808 C ? A ? 101 CD2 1
   ATOM 2111 H B LEU A 102 ? -5.18149 58.27621 7.34494 0.479 33.94490 H ? A ? 101 H 1
   ATOM 2112 HA B LEU A 102 ? -3.51823 56.43322 8.14439 0.479 38.32551 H ? A ? 101 HA 1
   ATOM 2113 HB2 B LEU A 102 ? -3.54232 57.21912 5.94612 0.479 40.24486 H ? A ? 101 HB2 1
   ATOM 2114 HB3 B LEU A 102 ? -2.90219 58.58481 6.44664 0.479 40.24486 H ? A ? 101 HB3 1
   ATOM 2115 HG B LEU A 102 ? -0.96162 57.42072 7.00814 0.479 42.03663 H ? A ? 101 HG 1
   ATOM 2116 HD11 B LEU A 102 ? -0.68739 55.20783 6.10738 0.479 39.67464 H ? A ? 101 HD11 1
   ATOM 2117 HD12 B LEU A 102 ? -1.75243 55.26093 7.28482 0.479 39.67464 H ? A ? 101 HD12 1
   ATOM 2118 HD13 B LEU A 102 ? -2.24059 55.20615 5.77412 0.479 39.67464 H ? A ? 101 HD13 1
   ATOM 2119 HD21 B LEU A 102 ? -0.10775 57.11798 4.84479 0.479 47.01451 H ? A ? 101 HD21 1
   ATOM 2120 HD22 B LEU A 102 ? -1.57997 57.26942 4.26762 0.479 47.01451 H ? A ? 101 HD22 1
   ATOM 2121 HD23 B LEU A 102 ? -0.87971 58.49874 4.99006 0.479 47.01451 H ? A ? 101 HD23 1
   ATOM 2122 N . ASP A 103 ? -2.91645 59.32216 9.36703 1.000 29.74191 N ? A ? 102 N 1
   ATOM 2123 CA . ASP A 103 ? -2.08126 59.98495 10.36806 1.000 24.74542 C ? A ? 102 CA 1
   ATOM 2124 C . ASP A 103 ? -2.24363 59.33177 11.73042 1.000 25.94259 C ? A ? 102 C 1
   ATOM 2125 O . ASP A 103 ? -1.25172 59.05057 12.42734 1.000 24.02537 O ? A ? 102 O 1
   ATOM 2126 CB . ASP A 103 ? -2.39153 61.48121 10.45326 1.000 27.68419 C ? A ? 102 CB 1
   ATOM 2127 CG . ASP A 103 ? -1.83317 62.25412 9.28458 1.000 39.41959 C ? A ? 102 CG 1
   ATOM 2128 OD1 . ASP A 103 ? -0.66725 62.02857 8.91257 1.000 45.98203 O ? A ? 102 OD1 1
   ATOM 2129 OD2 . ASP A 103 ? -2.57442 63.08653 8.71848 1.000 52.01913 O ? A ? 102 OD2 1
   ATOM 2130 HA . ASP A 103 ? -1.15670 59.89894 10.08752 1.000 29.69531 H ? A ? 102 HA 1
   ATOM 2131 HB2 . ASP A 103 ? -3.35348 61.60541 10.46427 1.000 33.22184 H ? A ? 102 HB2 1
   ATOM 2132 HB3 . ASP A 103 ? -2.00134 61.84017 11.26554 1.000 33.22184 H ? A ? 102 HB3 1
   ATOM 2133 H A ASP A 103 ? -3.60461 59.77025 9.11157 0.521 35.69110 H ? A ? 102 H 1
   ATOM 2134 H B ASP A 103 ? -3.53591 59.80790 9.02072 0.479 35.69110 H ? A ? 102 H 1
   ATOM 2135 N A LYS A 104 ? -3.48920 59.09829 12.14949 0.309 24.54343 N ? A ? 103 N 1
   ATOM 2136 CA A LYS A 104 ? -3.69964 58.38963 13.40508 0.309 24.70674 C ? A ? 103 CA 1
   ATOM 2137 C A LYS A 104 ? -3.20633 56.95076 13.31516 0.309 23.91709 C ? A ? 103 C 1
   ATOM 2138 O A LYS A 104 ? -2.78328 56.37400 14.32614 0.309 24.75071 O ? A ? 103 O 1
   ATOM 2139 CB A LYS A 104 ? -5.17236 58.39930 13.79677 0.309 28.65821 C ? A ? 103 CB 1
   ATOM 2140 CG A LYS A 104 ? -5.62442 59.64351 14.53586 0.309 33.52691 C ? A ? 103 CG 1
   ATOM 2141 CD A LYS A 104 ? -5.84432 60.81626 13.57124 0.309 38.69269 C ? A ? 103 CD 1
   ATOM 2142 CE A LYS A 104 ? -6.75087 61.87712 14.18343 0.309 45.74792 C ? A ? 103 CE 1
   ATOM 2143 NZ A LYS A 104 ? -6.82867 63.13129 13.35401 0.309 42.48747 N ? A ? 103 NZ 1
   ATOM 2144 H A LYS A 104 ? -4.20579 59.33355 11.73626 0.309 29.45292 H ? A ? 103 H 1
   ATOM 2145 HA A LYS A 104 ? -3.20534 58.85254 14.09955 0.309 29.64889 H ? A ? 103 HA 1
   ATOM 2146 HB2 A LYS A 104 ? -5.70608 58.32902 12.98986 0.309 34.39065 H ? A ? 103 HB2 1
   ATOM 2147 HB3 A LYS A 104 ? -5.34240 57.63875 14.37430 0.309 34.39065 H ? A ? 103 HB3 1
   ATOM 2148 HG2 A LYS A 104 ? -6.46127 59.46132 14.99127 0.309 40.23310 H ? A ? 103 HG2 1
   ATOM 2149 HG3 A LYS A 104 ? -4.94557 59.90027 15.17940 0.309 40.23310 H ? A ? 103 HG3 1
   ATOM 2150 HD2 A LYS A 104 ? -4.99031 61.22700 13.36422 0.309 46.43203 H ? A ? 103 HD2 1
   ATOM 2151 HD3 A LYS A 104 ? -6.26144 60.49036 12.75841 0.309 46.43203 H ? A ? 103 HD3 1
   ATOM 2152 HE2 A LYS A 104 ? -7.64772 61.51681 14.26559 0.309 54.89830 H ? A ? 103 HE2 1
   ATOM 2153 HE3 A LYS A 104 ? -6.40868 62.11805 15.05851 0.309 54.89830 H ? A ? 103 HE3 1
   ATOM 2154 HZ1 A LYS A 104 ? -7.33646 63.73638 13.76403 0.309 50.98576 H ? A ? 103 HZ1 1
   ATOM 2155 HZ2 A LYS A 104 ? -6.01391 63.46968 13.23671 0.309 50.98576 H ? A ? 103 HZ2 1
   ATOM 2156 HZ3 A LYS A 104 ? -7.18283 62.94848 12.55824 0.309 50.98576 H ? A ? 103 HZ3 1
   ATOM 2157 N B LYS A 104 ? -3.49381 59.08379 12.12277 0.691 24.45746 N ? A ? 103 N 1
   ATOM 2158 CA B LYS A 104 ? -3.76793 58.39494 13.37655 0.691 24.02360 C ? A ? 103 CA 1
   ATOM 2159 C B LYS A 104 ? -3.21069 56.97459 13.35064 0.691 24.27832 C ? A ? 103 C 1
   ATOM 2160 O B LYS A 104 ? -2.71033 56.47073 14.36829 0.691 25.10378 O ? A ? 103 O 1
   ATOM 2161 CB B LYS A 104 ? -5.27324 58.35839 13.62233 0.691 26.92788 C ? A ? 103 CB 1
   ATOM 2162 CG B LYS A 104 ? -5.93558 59.72147 13.80473 0.691 33.86917 C ? A ? 103 CG 1
   ATOM 2163 CD B LYS A 104 ? -7.45792 59.57552 13.87177 0.691 37.99746 C ? A ? 103 CD 1
   ATOM 2164 CE B LYS A 104 ? -8.16729 60.91928 14.07148 0.691 40.79177 C ? A ? 103 CE 1
   ATOM 2165 NZ B LYS A 104 ? -8.03387 61.46640 15.44694 0.691 51.61222 N ? A ? 103 NZ 1
   ATOM 2166 H B LYS A 104 ? -4.19790 59.30427 11.68090 0.691 29.34975 H ? A ? 103 H 1
   ATOM 2167 HA B LYS A 104 ? -3.34568 58.87892 14.10344 0.691 28.82912 H ? A ? 103 HA 1
   ATOM 2168 HB2 B LYS A 104 ? -5.69715 57.92943 12.86260 0.691 32.31427 H ? A ? 103 HB2 1
   ATOM 2169 HB3 B LYS A 104 ? -5.43943 57.84512 14.42845 0.691 32.31427 H ? A ? 103 HB3 1
   ATOM 2170 HG2 B LYS A 104 ? -5.62738 60.12428 14.63157 0.691 40.64381 H ? A ? 103 HG2 1
   ATOM 2171 HG3 B LYS A 104 ? -5.71311 60.29375 13.05380 0.691 40.64381 H ? A ? 103 HG3 1
   ATOM 2172 HD2 B LYS A 104 ? -7.77660 59.18771 13.04174 0.691 45.59776 H ? A ? 103 HD2 1
   ATOM 2173 HD3 B LYS A 104 ? -7.68919 58.99968 14.61731 0.691 45.59776 H ? A ? 103 HD3 1
   ATOM 2174 HE2 B LYS A 104 ? -7.78815 61.56736 13.45736 0.691 48.95093 H ? A ? 103 HE2 1
   ATOM 2175 HE3 B LYS A 104 ? -9.11305 60.80369 13.88964 0.691 48.95093 H ? A ? 103 HE3 1
   ATOM 2176 HZ1 B LYS A 104 ? -8.18538 62.34339 15.44171 0.691 61.93548 H ? A ? 103 HZ1 1
   ATOM 2177 HZ2 B LYS A 104 ? -8.62165 61.07495 15.98858 0.691 61.93548 H ? A ? 103 HZ2 1
   ATOM 2178 HZ3 B LYS A 104 ? -7.21259 61.31701 15.75562 0.691 61.93548 H ? A ? 103 HZ3 1
   ATOM 2179 N A LEU A 105 ? -3.26849 56.35648 12.12209 0.309 22.51704 N ? A ? 104 N 1
   ATOM 2180 CA A LEU A 105 ? -2.73490 55.01142 11.94852 0.309 20.85677 C ? A ? 104 CA 1
   ATOM 2181 C A LEU A 105 ? -1.23564 54.98329 12.22851 0.309 20.79997 C ? A ? 104 C 1
   ATOM 2182 O A LEU A 105 ? -0.74714 54.09955 12.94401 0.309 24.11468 O ? A ? 104 O 1
   ATOM 2183 CB A LEU A 105 ? -3.00254 54.52525 10.52790 0.309 22.13564 C ? A ? 104 CB 1
   ATOM 2184 CG A LEU A 105 ? -2.77963 53.02653 10.26927 0.309 21.31850 C ? A ? 104 CG 1
   ATOM 2185 CD1 A LEU A 105 ? -3.73925 52.18153 11.07255 0.309 24.20559 C ? A ? 104 CD1 1
   ATOM 2186 CD2 A LEU A 105 ? -2.93266 52.77341 8.77372 0.309 19.23033 C ? A ? 104 CD2 1
   ATOM 2187 H A LEU A 105 ? -3.60800 56.70505 11.41298 0.309 27.02126 H ? A ? 104 H 1
   ATOM 2188 HA A LEU A 105 ? -3.18116 54.41401 12.56889 0.309 25.02893 H ? A ? 104 HA 1
   ATOM 2189 HB2 A LEU A 105 ? -3.92847 54.71818 10.31266 0.309 26.56358 H ? A ? 104 HB2 1
   ATOM 2190 HB3 A LEU A 105 ? -2.41449 55.00980 9.92764 0.309 26.56358 H ? A ? 104 HB3 1
   ATOM 2191 HG A LEU A 105 ? -1.88908 52.76481 10.55092 0.309 25.58301 H ? A ? 104 HG 1
   ATOM 2192 HD11 A LEU A 105 ? -3.64604 51.25457 10.80245 0.309 29.04751 H ? A ? 104 HD11 1
   ATOM 2193 HD12 A LEU A 105 ? -3.52895 52.27422 12.01493 0.309 29.04751 H ? A ? 104 HD12 1
   ATOM 2194 HD13 A LEU A 105 ? -4.64484 52.48564 10.90426 0.309 29.04751 H ? A ? 104 HD13 1
   ATOM 2195 HD21 A LEU A 105 ? -2.70518 51.84956 8.58489 0.309 23.07720 H ? A ? 104 HD21 1
   ATOM 2196 HD22 A LEU A 105 ? -3.85167 52.94701 8.51646 0.309 23.07720 H ? A ? 104 HD22 1
   ATOM 2197 HD23 A LEU A 105 ? -2.33623 53.36636 8.29042 0.309 23.07720 H ? A ? 104 HD23 1
   ATOM 2198 N B LEU A 105 ? -3.30532 56.31559 12.19805 0.691 23.05533 N ? A ? 104 N 1
   ATOM 2199 CA B LEU A 105 ? -2.74668 54.97539 12.08715 0.691 19.82136 C ? A ? 104 CA 1
   ATOM 2200 C B LEU A 105 ? -1.24124 55.00238 12.33923 0.691 21.89331 C ? A ? 104 C 1
   ATOM 2201 O B LEU A 105 ? -0.71041 54.16616 13.08698 0.691 22.77316 O ? A ? 104 O 1
   ATOM 2202 CB B LEU A 105 ? -3.00356 54.42352 10.68886 0.691 24.52802 C ? A ? 104 CB 1
   ATOM 2203 CG B LEU A 105 ? -2.64718 52.92060 10.57487 0.691 21.87545 C ? A ? 104 CG 1
   ATOM 2204 CD1 B LEU A 105 ? -3.82250 52.05687 11.05107 0.691 24.64821 C ? A ? 104 CD1 1
   ATOM 2205 CD2 B LEU A 105 ? -2.20421 52.53962 9.17445 0.691 22.82749 C ? A ? 104 CD2 1
   ATOM 2206 H B LEU A 105 ? -3.67887 56.61543 11.48380 0.691 27.66720 H ? A ? 104 H 1
   ATOM 2207 HA B LEU A 105 ? -3.17564 54.40028 12.73995 0.691 23.78643 H ? A ? 104 HA 1
   ATOM 2208 HB2 B LEU A 105 ? -3.94370 54.52892 10.47456 0.691 29.43443 H ? A ? 104 HB2 1
   ATOM 2209 HB3 B LEU A 105 ? -2.46097 54.91266 10.05071 0.691 29.43443 H ? A ? 104 HB3 1
   ATOM 2210 HG B LEU A 105 ? -1.88872 52.74214 11.15262 0.691 26.25135 H ? A ? 104 HG 1
   ATOM 2211 HD11 B LEU A 105 ? -3.57639 51.12137 10.97921 0.691 29.57866 H ? A ? 104 HD11 1
   ATOM 2212 HD12 B LEU A 105 ? -4.02194 52.27643 11.97460 0.691 29.57866 H ? A ? 104 HD12 1
   ATOM 2213 HD13 B LEU A 105 ? -4.59490 52.23948 10.49344 0.691 29.57866 H ? A ? 104 HD13 1
   ATOM 2214 HD21 B LEU A 105 ? -1.97313 51.59763 9.16163 0.691 27.39379 H ? A ? 104 HD21 1
   ATOM 2215 HD22 B LEU A 105 ? -2.93155 52.71023 8.55578 0.691 27.39379 H ? A ? 104 HD22 1
   ATOM 2216 HD23 B LEU A 105 ? -1.43136 53.07312 8.93159 0.691 27.39379 H ? A ? 104 HD23 1
   ATOM 2217 N A ARG A 106 ? -0.47928 55.95118 11.68399 0.309 22.47310 N ? A ? 105 N 1
   ATOM 2218 CA A ARG A 106 ? 0.96394 55.94368 11.88880 0.309 20.62595 C ? A ? 105 CA 1
   ATOM 2219 C A ARG A 106 ? 1.30593 56.12751 13.36079 0.309 23.06948 C ? A ? 105 C 1
   ATOM 2220 O A ARG A 106 ? 2.20149 55.45094 13.88027 0.309 24.51893 O ? A ? 105 O 1
   ATOM 2221 CB A ARG A 106 ? 1.62874 57.06176 11.08162 0.309 25.53017 C ? A ? 105 CB 1
   ATOM 2222 CG A ARG A 106 ? 1.73253 56.84027 9.58504 0.309 30.69658 C ? A ? 105 CG 1
   ATOM 2223 CD A ARG A 106 ? 2.72236 57.83900 8.97079 0.309 33.83448 C ? A ? 105 CD 1
   ATOM 2224 NE A ARG A 106 ? 4.10529 57.52717 9.31969 0.309 31.47842 N ? A ? 105 NE 1
   ATOM 2225 CZ A ARG A 106 ? 5.15053 58.30145 9.05527 0.309 33.74230 C ? A ? 105 CZ 1
   ATOM 2226 NH1 A ARG A 106 ? 5.01304 59.47637 8.46186 0.309 37.31054 N ? A ? 105 NH1 1
   ATOM 2227 NH2 A ARG A 106 ? 6.36679 57.88619 9.39854 0.309 37.16883 N ? A ? 105 NH2 1
   ATOM 2228 H A ARG A 106 ? -0.77538 56.60217 11.20635 0.309 26.96853 H ? A ? 105 H 1
   ATOM 2229 HA A ARG A 106 ? 1.30673 55.09056 11.57964 0.309 24.75194 H ? A ? 105 HA 1
   ATOM 2230 HB2 A ARG A 106 ? 1.11728 57.87515 11.21468 0.309 30.63701 H ? A ? 105 HB2 1
   ATOM 2231 HB3 A ARG A 106 ? 2.53176 57.17928 11.41576 0.309 30.63701 H ? A ? 105 HB3 1
   ATOM 2232 HG2 A ARG A 106 ? 2.04976 55.94060 9.40935 0.309 36.83670 H ? A ? 105 HG2 1
   ATOM 2233 HG3 A ARG A 106 ? 0.86359 56.97175 9.17448 0.309 36.83670 H ? A ? 105 HG3 1
   ATOM 2234 HD2 A ARG A 106 ? 2.64134 57.81474 8.00449 0.309 40.60218 H ? A ? 105 HD2 1
   ATOM 2235 HD3 A ARG A 106 ? 2.52119 58.72958 9.29834 0.309 40.60218 H ? A ? 105 HD3 1
   ATOM 2236 HE A ARG A 106 ? 4.25412 56.78496 9.72780 0.309 37.77490 H ? A ? 105 HE 1
   ATOM 2237 HH11 A ARG A 106 ? 4.23134 59.75580 8.23723 0.309 44.77345 H ? A ? 105 HH11 1
   ATOM 2238 HH12 A ARG A 106 ? 5.70541 59.96044 8.30089 0.309 44.77345 H ? A ? 105 HH12 1
   ATOM 2239 HH21 A ARG A 106 ? 6.46785 57.12526 9.78632 0.309 44.60341 H ? A ? 105 HH21 1
   ATOM 2240 HH22 A ARG A 106 ? 7.05204 58.37865 9.23268 0.309 44.60341 H ? A ? 105 HH22 1
   ATOM 2241 N B ARG A 106 ? -0.52564 55.98781 11.75345 0.691 22.08375 N ? A ? 105 N 1
   ATOM 2242 CA B ARG A 106 ? 0.92490 56.00853 11.87655 0.691 21.83389 C ? A ? 105 CA 1
   ATOM 2243 C B ARG A 106 ? 1.31907 56.17225 13.33016 0.691 23.02027 C ? A ? 105 C 1
   ATOM 2244 O B ARG A 106 ? 2.28447 55.55932 13.79602 0.691 23.95481 O ? A ? 105 O 1
   ATOM 2245 CB B ARG A 106 ? 1.51269 57.22013 11.14514 0.691 26.16420 C ? A ? 105 CB 1
   ATOM 2246 CG B ARG A 106 ? 1.70383 57.15756 9.66110 0.691 35.05177 C ? A ? 105 CG 1
   ATOM 2247 CD B ARG A 106 ? 2.83000 58.14050 9.22485 0.691 35.97739 C ? A ? 105 CD 1
   ATOM 2248 NE B ARG A 106 ? 2.82904 59.44678 9.88753 0.691 41.33871 N ? A ? 105 NE 1
   ATOM 2249 CZ B ARG A 106 ? 3.84141 60.31054 9.85213 0.691 30.01353 C ? A ? 105 CZ 1
   ATOM 2250 NH1 B ARG A 106 ? 4.96075 60.04141 9.20329 0.691 32.93310 N ? A ? 105 NH1 1
   ATOM 2251 NH2 B ARG A 106 ? 3.73307 61.46856 10.49616 0.691 37.07057 N ? A ? 105 NH2 1
   ATOM 2252 H B ARG A 106 ? -0.85829 56.63400 11.29368 0.691 26.50131 H ? A ? 105 H 1
   ATOM 2253 HA B ARG A 106 ? 1.26529 55.18420 11.49510 0.691 26.20147 H ? A ? 105 HA 1
   ATOM 2254 HB2 B ARG A 106 ? 0.92480 57.97334 11.31238 0.691 31.39785 H ? A ? 105 HB2 1
   ATOM 2255 HB3 B ARG A 106 ? 2.38835 57.39192 11.52541 0.691 31.39785 H ? A ? 105 HB3 1
   ATOM 2256 HG2 B ARG A 106 ? 1.95886 56.25820 9.40224 0.691 42.06294 H ? A ? 105 HG2 1
   ATOM 2257 HG3 B ARG A 106 ? 0.88057 57.41040 9.21477 0.691 42.06294 H ? A ? 105 HG3 1
   ATOM 2258 HD2 B ARG A 106 ? 3.68620 57.72484 9.41205 0.691 43.17367 H ? A ? 105 HD2 1
   ATOM 2259 HD3 B ARG A 106 ? 2.74086 58.30221 8.27259 0.691 43.17367 H ? A ? 105 HD3 1
   ATOM 2260 HE B ARG A 106 ? 2.12639 59.67108 10.32975 0.691 49.60726 H ? A ? 105 HE 1
   ATOM 2261 HH11 B ARG A 106 ? 5.04867 59.29246 8.78984 0.691 39.52053 H ? A ? 105 HH11 1
   ATOM 2262 HH12 B ARG A 106 ? 5.60127 60.61522 9.19449 0.691 39.52053 H ? A ? 105 HH12 1
   ATOM 2263 HH21 B ARG A 106 ? 3.01404 61.65360 10.93015 0.691 44.48549 H ? A ? 105 HH21 1
   ATOM 2264 HH22 B ARG A 106 ? 4.38203 62.03261 10.47877 0.691 44.48549 H ? A ? 105 HH22 1
   ATOM 2265 N . ALA A 107 ? 0.62713 57.05937 14.04296 1.000 24.96487 N ? A ? 106 N 1
   ATOM 2266 CA . ALA A 107 ? 0.96649 57.35124 15.43073 1.000 23.53408 C ? A ? 106 CA 1
   ATOM 2267 C . ALA A 107 ? 0.67791 56.15664 16.31176 1.000 25.85145 C ? A ? 106 C 1
   ATOM 2268 O . ALA A 107 ? 1.48590 55.78194 17.16395 1.000 24.59911 O ? A ? 106 O 1
   ATOM 2269 CB . ALA A 107 ? 0.17848 58.57934 15.88049 1.000 31.43062 C ? A ? 106 CB 1
   ATOM 2270 HA . ALA A 107 ? 1.91250 57.55022 15.51058 1.000 28.24170 H ? A ? 106 HA 1
   ATOM 2271 HB1 . ALA A 107 ? 0.40009 58.77591 16.80415 1.000 37.71755 H ? A ? 106 HB1 1
   ATOM 2272 HB2 . ALA A 107 ? 0.41644 59.33141 15.31597 1.000 37.71755 H ? A ? 106 HB2 1
   ATOM 2273 HB3 . ALA A 107 ? -0.77002 58.39271 15.80040 1.000 37.71755 H ? A ? 106 HB3 1
   ATOM 2274 H A ALA A 107 ? -0.02223 57.52612 13.72661 0.309 29.95865 H ? A ? 106 H 1
   ATOM 2275 H B ALA A 107 ? -0.04455 57.50647 13.74538 0.691 29.95865 H ? A ? 106 H 1
   ATOM 2276 N . ALA A 108 ? -0.48006 55.54975 16.10943 1.000 24.54305 N ? A ? 107 N 1
   ATOM 2277 CA . ALA A 108 ? -0.86244 54.37883 16.88471 1.000 25.44502 C ? A ? 107 CA 1
   ATOM 2278 C . ALA A 108 ? 0.04215 53.18694 16.57992 1.000 26.37557 C ? A ? 107 C 1
   ATOM 2279 O . ALA A 108 ? 0.32702 52.36901 17.47406 1.000 25.80285 O ? A ? 107 O 1
   ATOM 2280 CB . ALA A 108 ? -2.30517 54.02747 16.60139 1.000 25.99354 C ? A ? 107 CB 1
   ATOM 2281 H . ALA A 108 ? -1.06548 55.79422 15.52881 1.000 29.45247 H ? A ? 107 H 1
   ATOM 2282 HA . ALA A 108 ? -0.77967 54.58404 17.82913 1.000 30.53483 H ? A ? 107 HA 1
   ATOM 2283 HB1 . ALA A 108 ? -2.55191 53.25395 17.13213 1.000 31.19306 H ? A ? 107 HB1 1
   ATOM 2284 HB2 . ALA A 108 ? -2.86628 54.78285 16.83692 1.000 31.19306 H ? A ? 107 HB2 1
   ATOM 2285 HB3 . ALA A 108 ? -2.40152 53.82542 15.65758 1.000 31.19306 H ? A ? 107 HB3 1
   ATOM 2286 N . PHE A 109 ? 0.46518 53.05319 15.32199 1.000 21.73548 N ? A ? 108 N 1
   ATOM 2287 CA . PHE A 109 ? 1.38974 51.98375 14.95100 1.000 21.92762 C ? A ? 108 CA 1
   ATOM 2288 C . PHE A 109 ? 2.68840 52.11252 15.73212 1.000 23.38405 C ? A ? 108 C 1
   ATOM 2289 O . PHE A 109 ? 3.21518 51.10666 16.26550 1.000 22.46471 O ? A ? 108 O 1
   ATOM 2290 CB . PHE A 109 ? 1.65007 52.07044 13.43774 1.000 23.66821 C ? A ? 108 CB 1
   ATOM 2291 CG . PHE A 109 ? 2.40512 50.89585 12.87057 1.000 22.81284 C ? A ? 108 CG 1
   ATOM 2292 CD1 . PHE A 109 ? 1.73901 49.76665 12.47400 1.000 24.85690 C ? A ? 108 CD1 1
   ATOM 2293 CD2 . PHE A 109 ? 3.77588 50.97972 12.72557 1.000 26.92629 C ? A ? 108 CD2 1
   ATOM 2294 CE1 . PHE A 109 ? 2.43621 48.68261 11.94941 1.000 24.49465 C ? A ? 108 CE1 1
   ATOM 2295 CE2 . PHE A 109 ? 4.48535 49.89811 12.20722 1.000 24.89488 C ? A ? 108 CE2 1
   ATOM 2296 CZ . PHE A 109 ? 3.81396 48.76123 11.82227 1.000 31.34073 C ? A ? 108 CZ 1
   ATOM 2297 H . PHE A 109 ? 0.23400 53.56399 14.66989 1.000 26.08338 H ? A ? 108 H 1
   ATOM 2298 HA . PHE A 109 ? 1.00591 51.11582 15.15168 1.000 26.31395 H ? A ? 108 HA 1
   ATOM 2299 HB2 . PHE A 109 ? 0.79691 52.12057 12.97892 1.000 28.40265 H ? A ? 108 HB2 1
   ATOM 2300 HB3 . PHE A 109 ? 2.17076 52.86889 13.25814 1.000 28.40265 H ? A ? 108 HB3 1
   ATOM 2301 HD1 . PHE A 109 ? 0.81360 49.72410 12.55596 1.000 29.82909 H ? A ? 108 HD1 1
   ATOM 2302 HD2 . PHE A 109 ? 4.22431 51.75592 12.97318 1.000 32.31235 H ? A ? 108 HD2 1
   ATOM 2303 HE1 . PHE A 109 ? 1.98277 47.91417 11.68714 1.000 29.39438 H ? A ? 108 HE1 1
   ATOM 2304 HE2 . PHE A 109 ? 5.41024 49.94492 12.12183 1.000 29.87466 H ? A ? 108 HE2 1
   ATOM 2305 HZ . PHE A 109 ? 4.28763 48.04048 11.47436 1.000 37.60968 H ? A ? 108 HZ 1
   ATOM 2306 N A GLY A 110 ? 3.22990 53.33055 15.82277 0.397 23.78939 N ? A ? 109 N 1
   ATOM 2307 CA A GLY A 110 ? 4.45740 53.52649 16.57066 0.397 23.09753 C ? A ? 109 CA 1
   ATOM 2308 C A GLY A 110 ? 4.30297 53.21781 18.04367 0.397 22.85949 C ? A ? 109 C 1
   ATOM 2309 O A GLY A 110 ? 5.20019 52.64385 18.66773 0.397 23.05953 O ? A ? 109 O 1
   ATOM 2310 H A GLY A 110 ? 2.90776 54.04314 15.46493 0.397 28.54807 H ? A ? 109 H 1
   ATOM 2311 HA2 A GLY A 110 ? 5.14706 52.94777 16.20962 0.397 27.71784 H ? A ? 109 HA2 1
   ATOM 2312 HA3 A GLY A 110 ? 4.74145 54.44971 16.48183 0.397 27.71784 H ? A ? 109 HA3 1
   ATOM 2313 N B GLY A 110 ? 3.22753 53.33154 15.82547 0.603 23.79279 N ? A ? 109 N 1
   ATOM 2314 CA B GLY A 110 ? 4.45558 53.52529 16.57046 0.603 23.05257 C ? A ? 109 CA 1
   ATOM 2315 C B GLY A 110 ? 4.30281 53.21760 18.04241 0.603 22.79453 C ? A ? 109 C 1
   ATOM 2316 O B GLY A 110 ? 5.19752 52.63557 18.66257 0.603 23.09174 O ? A ? 109 O 1
   ATOM 2317 H B GLY A 110 ? 2.90324 54.04492 15.47118 0.603 28.55216 H ? A ? 109 H 1
   ATOM 2318 HA2 B GLY A 110 ? 5.14356 52.94514 16.20851 0.603 27.66389 H ? A ? 109 HA2 1
   ATOM 2319 HA3 B GLY A 110 ? 4.74123 54.44793 16.48088 0.603 27.66389 H ? A ? 109 HA3 1
   ATOM 2320 N . ASP A 111 ? 3.15916 53.57665 18.61679 1.000 23.93097 N ? A ? 110 N 1
   ATOM 2321 CA . ASP A 111 ? 2.90936 53.27370 20.01512 1.000 22.00167 C ? A ? 110 CA 1
   ATOM 2322 C . ASP A 111 ? 2.84445 51.78377 20.24636 1.000 23.84058 C ? A ? 110 C 1
   ATOM 2323 O . ASP A 111 ? 3.36382 51.27549 21.24693 1.000 21.38111 O ? A ? 110 O 1
   ATOM 2324 CB . ASP A 111 ? 1.58479 53.88932 20.45936 1.000 27.33141 C ? A ? 110 CB 1
   ATOM 2325 CG . ASP A 111 ? 1.65254 55.38965 20.58017 1.000 26.64590 C ? A ? 110 CG 1
   ATOM 2326 OD1 . ASP A 111 ? 2.75055 55.95132 20.49976 1.000 27.13094 O ? A ? 110 OD1 1
   ATOM 2327 OD2 . ASP A 111 ? 0.57635 55.97457 20.74929 1.000 29.37452 O ? A ? 110 OD2 1
   ATOM 2328 HA . ASP A 111 ? 3.63258 53.65321 20.53841 1.000 26.40281 H ? A ? 110 HA 1
   ATOM 2329 HB2 . ASP A 111 ? 0.90025 53.67123 19.80764 1.000 32.79850 H ? A ? 110 HB2 1
   ATOM 2330 HB3 . ASP A 111 ? 1.34367 53.52887 21.32703 1.000 32.79850 H ? A ? 110 HB3 1
   ATOM 2331 H A ASP A 111 ? 2.51891 53.99224 18.22060 0.397 28.71797 H ? A ? 110 H 1
   ATOM 2332 H B ASP A 111 ? 2.51886 53.99258 18.22105 0.603 28.71797 H ? A ? 110 H 1
   ATOM 2333 N A VAL A 112 ? 2.19869 51.07792 19.33759 0.569 21.88872 N ? A ? 111 N 1
   ATOM 2334 CA A VAL A 112 ? 2.15579 49.61981 19.43982 0.569 22.45706 C ? A ? 111 CA 1
   ATOM 2335 C A VAL A 112 ? 3.56841 49.05009 19.44838 0.569 23.46397 C ? A ? 111 C 1
   ATOM 2336 O A VAL A 112 ? 3.91694 48.21196 20.29133 0.569 19.96207 O ? A ? 111 O 1
   ATOM 2337 CB A VAL A 112 ? 1.29925 49.00159 18.31762 0.569 17.71689 C ? A ? 111 CB 1
   ATOM 2338 CG1 A VAL A 112 ? 1.49217 47.48800 18.24863 0.569 19.22378 C ? A ? 111 CG1 1
   ATOM 2339 CG2 A VAL A 112 ? -0.17422 49.38339 18.52550 0.569 22.09915 C ? A ? 111 CG2 1
   ATOM 2340 H A VAL A 112 ? 1.78190 51.40619 18.66074 0.569 26.26727 H ? A ? 111 H 1
   ATOM 2341 HA A VAL A 112 ? 1.73127 49.39194 20.28170 0.569 26.94928 H ? A ? 111 HA 1
   ATOM 2342 HB A VAL A 112 ? 1.58390 49.35427 17.46001 0.569 21.26107 H ? A ? 111 HB 1
   ATOM 2343 HG11 A VAL A 112 ? 0.77601 47.10211 17.72033 0.569 23.06935 H ? A ? 111 HG11 1
   ATOM 2344 HG12 A VAL A 112 ? 2.34838 47.29732 17.83457 0.569 23.06935 H ? A ? 111 HG12 1
   ATOM 2345 HG13 A VAL A 112 ? 1.47179 47.12572 19.14821 0.569 23.06935 H ? A ? 111 HG13 1
   ATOM 2346 HG21 A VAL A 112 ? -0.70433 48.99740 17.81073 0.569 26.51978 H ? A ? 111 HG21 1
   ATOM 2347 HG22 A VAL A 112 ? -0.47211 49.03828 19.38169 0.569 26.51978 H ? A ? 111 HG22 1
   ATOM 2348 HG23 A VAL A 112 ? -0.25490 50.34994 18.51227 0.569 26.51978 H ? A ? 111 HG23 1
   ATOM 2349 N B VAL A 112 ? 2.17030 51.06929 19.35675 0.431 22.40700 N ? A ? 111 N 1
   ATOM 2350 CA B VAL A 112 ? 2.08520 49.61827 19.51672 0.431 22.39329 C ? A ? 111 CA 1
   ATOM 2351 C B VAL A 112 ? 3.45713 48.98747 19.35141 0.431 22.44485 C ? A ? 111 C 1
   ATOM 2352 O B VAL A 112 ? 3.89622 48.18490 20.18125 0.431 19.71927 O ? A ? 111 O 1
   ATOM 2353 CB B VAL A 112 ? 1.07295 48.99365 18.54338 0.431 22.67635 C ? A ? 111 CB 1
   ATOM 2354 CG1 B VAL A 112 ? 1.10240 47.46757 18.66344 0.431 19.73743 C ? A ? 111 CG1 1
   ATOM 2355 CG2 B VAL A 112 ? -0.31089 49.54610 18.84023 0.431 19.41372 C ? A ? 111 CG2 1
   ATOM 2356 H B VAL A 112 ? 1.76297 51.38721 18.66929 0.431 26.88920 H ? A ? 111 H 1
   ATOM 2357 HA B VAL A 112 ? 1.76684 49.44570 20.41659 0.431 26.87275 H ? A ? 111 HA 1
   ATOM 2358 HB B VAL A 112 ? 1.30239 49.21853 17.62812 0.431 27.21243 H ? A ? 111 HB 1
   ATOM 2359 HG11 B VAL A 112 ? 0.30061 47.10327 18.25684 0.431 23.68572 H ? A ? 111 HG11 1
   ATOM 2360 HG12 B VAL A 112 ? 1.88812 47.12989 18.20572 0.431 23.68572 H ? A ? 111 HG12 1
   ATOM 2361 HG13 B VAL A 112 ? 1.13669 47.22524 19.60206 0.431 23.68572 H ? A ? 111 HG13 1
   ATOM 2362 HG21 B VAL A 112 ? -0.90186 49.33112 18.10170 0.431 23.29727 H ? A ? 111 HG21 1
   ATOM 2363 HG22 B VAL A 112 ? -0.64305 49.14329 19.65773 0.431 23.29727 H ? A ? 111 HG22 1
   ATOM 2364 HG23 B VAL A 112 ? -0.25067 50.50840 18.94637 0.431 23.29727 H ? A ? 111 HG23 1
   ATOM 2365 N A GLY A 113 ? 4.41543 49.51201 18.53052 0.569 19.68417 N ? A ? 112 N 1
   ATOM 2366 CA A GLY A 113 ? 5.77373 48.98750 18.46896 0.569 17.94235 C ? A ? 112 CA 1
   ATOM 2367 C A GLY A 113 ? 6.53345 49.19074 19.76593 0.569 22.77706 C ? A ? 112 C 1
   ATOM 2368 O A GLY A 113 ? 7.24052 48.28572 20.23635 0.569 20.13829 O ? A ? 112 O 1
   ATOM 2369 H A GLY A 113 ? 4.23238 50.11509 17.94539 0.569 23.62181 H ? A ? 112 H 1
   ATOM 2370 HA2 A GLY A 113 ? 5.74196 48.03671 18.27951 0.569 21.53163 H ? A ? 112 HA2 1
   ATOM 2371 HA3 A GLY A 113 ? 6.25834 49.43517 17.75788 0.569 21.53163 H ? A ? 112 HA3 1
   ATOM 2372 N B GLY A 113 ? 4.14479 49.31378 18.26503 0.431 19.24461 N ? A ? 112 N 1
   ATOM 2373 CA B GLY A 113 ? 5.48756 48.79258 18.08400 0.431 19.82470 C ? A ? 112 CA 1
   ATOM 2374 C B GLY A 113 ? 6.39029 49.11377 19.25731 0.431 19.19861 C ? A ? 112 C 1
   ATOM 2375 O B GLY A 113 ? 7.28008 48.30967 19.60312 0.431 18.77636 O ? A ? 112 O 1
   ATOM 2376 H B GLY A 113 ? 3.86258 49.82363 17.63257 0.431 23.09434 H ? A ? 112 H 1
   ATOM 2377 HA2 B GLY A 113 ? 5.44729 47.82868 17.98310 0.431 23.79045 H ? A ? 112 HA2 1
   ATOM 2378 HA3 B GLY A 113 ? 5.87667 49.17793 17.28338 0.431 23.79045 H ? A ? 112 HA3 1
   ATOM 2379 N A ALA A 114 ? 6.41141 50.39053 20.35402 0.569 22.10884 N ? A ? 113 N 1
   ATOM 2380 CA A ALA A 114 ? 7.09475 50.66177 21.61657 0.569 16.29218 C ? A ? 113 CA 1
   ATOM 2381 C A ALA A 114 ? 6.58054 49.72800 22.70210 0.569 18.90199 C ? A ? 113 C 1
   ATOM 2382 O A ALA A 114 ? 7.31737 49.36093 23.62581 0.569 18.95910 O ? A ? 113 O 1
   ATOM 2383 CB A ALA A 114 ? 6.88408 52.12776 22.01458 0.569 20.88577 C ? A ? 113 CB 1
   ATOM 2384 H A ALA A 114 ? 5.94854 51.04678 20.04630 0.569 26.53141 H ? A ? 113 H 1
   ATOM 2385 HA A ALA A 114 ? 8.04933 50.52188 21.51604 0.569 19.55142 H ? A ? 113 HA 1
   ATOM 2386 HB1 A ALA A 114 ? 7.33904 52.29542 22.85470 0.569 25.06373 H ? A ? 113 HB1 1
   ATOM 2387 HB2 A ALA A 114 ? 7.24935 52.69895 21.32087 0.569 25.06373 H ? A ? 113 HB2 1
   ATOM 2388 HB3 A ALA A 114 ? 5.93372 52.29456 22.11403 0.569 25.06373 H ? A ? 113 HB3 1
   ATOM 2389 N B ALA A 114 ? 6.18479 50.28863 19.88579 0.431 19.32933 N ? A ? 113 N 1
   ATOM 2390 CA B ALA A 114 ? 6.94903 50.63939 21.08100 0.431 25.34610 C ? A ? 113 CA 1
   ATOM 2391 C B ALA A 114 ? 6.65554 49.66456 22.21534 0.431 15.66911 C ? A ? 113 C 1
   ATOM 2392 O B ALA A 114 ? 7.58088 49.22301 22.92042 0.431 17.78231 O ? A ? 113 O 1
   ATOM 2393 CB B ALA A 114 ? 6.60099 52.07601 21.46732 0.431 21.14214 C ? A ? 113 CB 1
   ATOM 2394 H B ALA A 114 ? 5.61662 50.88512 19.63883 0.431 23.19600 H ? A ? 113 H 1
   ATOM 2395 HA B ALA A 114 ? 7.90183 50.59194 20.90545 0.431 30.41613 H ? A ? 113 HA 1
   ATOM 2396 HB1 B ALA A 114 ? 7.08153 52.31066 22.27658 0.431 25.37137 H ? A ? 113 HB1 1
   ATOM 2397 HB2 B ALA A 114 ? 6.86043 52.66899 20.74484 0.431 25.37137 H ? A ? 113 HB2 1
   ATOM 2398 HB3 B ALA A 114 ? 5.64518 52.13923 21.62007 0.431 25.37137 H ? A ? 113 HB3 1
   ATOM 2399 N A SER A 115 ? 5.30898 49.34139 22.61821 0.569 19.68300 N ? A ? 114 N 1
   ATOM 2400 CA A SER A 115 ? 4.76795 48.45768 23.64293 0.569 22.54189 C ? A ? 114 CA 1
   ATOM 2401 C A SER A 115 ? 5.26470 47.02495 23.46840 0.569 20.30703 C ? A ? 114 C 1
   ATOM 2402 O A SER A 115 ? 5.48136 46.31142 24.45642 0.569 20.10575 O ? A ? 114 O 1
   ATOM 2403 CB A SER A 115 ? 3.25607 48.51160 23.60983 0.569 21.05290 C ? A ? 114 CB 1
   ATOM 2404 OG A SER A 115 ? 2.73222 48.01488 24.81910 0.569 26.25755 O ? A ? 114 OG 1
   ATOM 2405 H A SER A 115 ? 4.75778 49.56931 21.99868 0.569 23.62040 H ? A ? 114 H 1
   ATOM 2406 HA A SER A 115 ? 5.06537 48.76398 24.51392 0.569 27.05107 H ? A ? 114 HA 1
   ATOM 2407 HB2 A SER A 115 ? 2.97163 49.43148 23.49232 0.569 25.26428 H ? A ? 114 HB2 1
   ATOM 2408 HB3 A SER A 115 ? 2.93296 47.96790 22.87438 0.569 25.26428 H ? A ? 114 HB3 1
   ATOM 2409 HG A SER A 115 ? 2.97110 47.21717 24.92952 0.569 31.50987 H ? A ? 114 HG 1
   ATOM 2410 N B SER A 115 ? 5.37193 49.31783 22.39110 0.431 19.13295 N ? A ? 114 N 1
   ATOM 2411 CA B SER A 115 ? 4.98351 48.33882 23.40330 0.431 20.15258 C ? A ? 114 CA 1
   ATOM 2412 C B SER A 115 ? 5.57585 46.95625 23.11610 0.431 19.35696 C ? A ? 114 C 1
   ATOM 2413 O B SER A 115 ? 6.01079 46.26381 24.04784 0.431 20.04801 O ? A ? 114 O 1
   ATOM 2414 CB B SER A 115 ? 3.45763 48.28138 23.50811 0.431 19.62807 C ? A ? 114 CB 1
   ATOM 2415 OG B SER A 115 ? 2.86756 49.49914 23.96067 0.431 23.87917 O ? A ? 114 OG 1
   ATOM 2416 H B SER A 115 ? 4.71349 49.63518 21.93795 0.431 22.96035 H ? A ? 114 H 1
   ATOM 2417 HA B SER A 115 ? 5.33141 48.62162 24.26347 0.431 24.18390 H ? A ? 114 HA 1
   ATOM 2418 HB2 B SER A 115 ? 3.09979 48.07793 22.62979 0.431 23.55449 H ? A ? 114 HB2 1
   ATOM 2419 HB3 B SER A 115 ? 3.22189 47.57830 24.13341 0.431 23.55449 H ? A ? 114 HB3 1
   ATOM 2420 HG B SER A 115 ? 3.04663 50.12139 23.42557 0.431 28.65581 H ? A ? 114 HG 1
   ATOM 2421 N A CYS A 116 ? 5.44734 46.58442 22.22339 0.569 20.55368 N ? A ? 115 N 1
   ATOM 2422 CA A CYS A 116 ? 6.05267 45.27666 21.99699 0.569 19.81335 C ? A ? 115 CA 1
   ATOM 2423 C A CYS A 116 ? 7.48122 45.26910 22.51844 0.569 20.13896 C ? A ? 115 C 1
   ATOM 2424 O A CYS A 116 ? 7.88097 44.37246 23.27166 0.569 19.89777 O ? A ? 115 O 1
   ATOM 2425 CB A CYS A 116 ? 6.11783 44.97541 20.50669 0.569 18.35643 C ? A ? 115 CB 1
   ATOM 2426 SG A CYS A 116 ? 4.62743 45.15962 19.63917 0.569 20.89043 S ? A ? 115 SG 1
   ATOM 2427 H A CYS A 116 ? 5.23403 47.01426 21.50972 0.569 24.66522 H ? A ? 115 H 1
   ATOM 2428 HA A CYS A 116 ? 5.51005 44.60958 22.44584 0.569 23.77683 H ? A ? 115 HA 1
   ATOM 2429 HB2 A CYS A 116 ? 6.76298 45.57645 20.10241 0.569 22.02852 H ? A ? 115 HB2 1
   ATOM 2430 HB3 A CYS A 116 ? 6.40522 44.05582 20.39415 0.569 22.02852 H ? A ? 115 HB3 1
   ATOM 2431 N B CYS A 116 ? 5.64307 46.55375 21.83393 0.431 19.88545 N ? A ? 115 N 1
   ATOM 2432 CA B CYS A 116 ? 6.31285 45.29653 21.49592 0.431 18.83727 C ? A ? 115 CA 1
   ATOM 2433 C B CYS A 116 ? 7.73402 45.28963 22.07093 0.431 24.02686 C ? A ? 115 C 1
   ATOM 2434 O B CYS A 116 ? 8.22389 44.26934 22.58694 0.431 19.80671 O ? A ? 115 O 1
   ATOM 2435 CB B CYS A 116 ? 6.42581 45.10950 19.97690 0.431 23.79552 C ? A ? 115 CB 1
   ATOM 2436 SG B CYS A 116 ? 4.93664 45.15448 18.92461 0.431 16.56558 S ? A ? 115 SG 1
   ATOM 2437 H B CYS A 116 ? 5.31653 46.98175 21.16328 0.431 23.86335 H ? A ? 115 H 1
   ATOM 2438 HA B CYS A 116 ? 5.78076 44.57086 21.85811 0.431 22.60553 H ? A ? 115 HA 1
   ATOM 2439 HB2 B CYS A 116 ? 7.00775 45.81134 19.64575 0.431 28.55543 H ? A ? 115 HB2 1
   ATOM 2440 HB3 B CYS A 116 ? 6.83300 44.24214 19.82597 0.431 28.55543 H ? A ? 115 HB3 1
   ATOM 2441 N A LYS A 117 ? 8.27961 46.26620 22.10225 0.569 22.22185 N ? A ? 116 N 1
   ATOM 2442 CA A LYS A 117 ? 9.69637 46.31014 22.44776 0.569 21.05449 C ? A ? 116 CA 1
   ATOM 2443 C A LYS A 117 ? 9.87125 46.41209 23.94620 0.569 24.02242 C ? A ? 116 C 1
   ATOM 2444 O A LYS A 117 ? 10.79055 45.81345 24.50923 0.569 24.49170 O ? A ? 116 O 1
   ATOM 2445 CB A LYS A 117 ? 10.33182 47.52349 21.76517 0.569 24.90315 C ? A ? 116 CB 1
   ATOM 2446 CG A LYS A 117 ? 11.80851 47.75722 22.09387 0.569 31.98094 C ? A ? 116 CG 1
   ATOM 2447 CD A LYS A 117 ? 12.41805 48.89034 21.25538 0.569 37.33297 C ? A ? 116 CD 1
   ATOM 2448 CE A LYS A 117 ? 13.90986 49.04912 21.53565 0.569 37.01724 C ? A ? 116 CE 1
   ATOM 2449 NZ A LYS A 117 ? 14.16075 49.32755 22.97976 0.569 38.33819 N ? A ? 116 NZ 1
   ATOM 2450 H A LYS A 117 ? 8.01943 46.92768 21.61814 0.569 26.66703 H ? A ? 116 H 1
   ATOM 2451 HA A LYS A 117 ? 10.13812 45.50371 22.13883 0.569 25.26619 H ? A ? 116 HA 1
   ATOM 2452 HB2 A LYS A 117 ? 10.26376 47.40503 20.80484 0.569 29.88458 H ? A ? 116 HB2 1
   ATOM 2453 HB3 A LYS A 117 ? 9.84513 48.31736 22.03684 0.569 29.88458 H ? A ? 116 HB3 1
   ATOM 2454 HG2 A LYS A 117 ? 11.89248 47.99597 23.03027 0.569 38.37793 H ? A ? 116 HG2 1
   ATOM 2455 HG3 A LYS A 117 ? 12.30757 46.94548 21.91243 0.569 38.37793 H ? A ? 116 HG3 1
   ATOM 2456 HD2 A LYS A 117 ? 12.30394 48.69055 20.31306 0.569 44.80037 H ? A ? 116 HD2 1
   ATOM 2457 HD3 A LYS A 117 ? 11.97578 49.72567 21.47334 0.569 44.80037 H ? A ? 116 HD3 1
   ATOM 2458 HE2 A LYS A 117 ? 14.37160 48.23017 21.29686 0.569 44.42149 H ? A ? 116 HE2 1
   ATOM 2459 HE3 A LYS A 117 ? 14.25837 49.79016 21.01575 0.569 44.42149 H ? A ? 116 HE3 1
   ATOM 2460 HZ1 A LYS A 117 ? 15.00994 49.15237 23.18049 0.569 46.00663 H ? A ? 116 HZ1 1
   ATOM 2461 HZ2 A LYS A 117 ? 13.99223 50.18296 23.15859 0.569 46.00663 H ? A ? 116 HZ2 1
   ATOM 2462 HZ3 A LYS A 117 ? 13.63365 48.81775 23.48411 0.569 46.00663 H ? A ? 116 HZ3 1
   ATOM 2463 N B LYS A 117 ? 8.42852 46.43110 21.96032 0.431 20.98023 N ? A ? 116 N 1
   ATOM 2464 CA B LYS A 117 ? 9.81909 46.51522 22.39286 0.431 21.66794 C ? A ? 116 CA 1
   ATOM 2465 C B LYS A 117 ? 9.93128 46.51038 23.91268 0.431 22.90320 C ? A ? 116 C 1
   ATOM 2466 O B LYS A 117 ? 10.84781 45.89338 24.46227 0.431 24.93576 O ? A ? 116 O 1
   ATOM 2467 CB B LYS A 117 ? 10.43663 47.78655 21.80717 0.431 26.75402 C ? A ? 116 CB 1
   ATOM 2468 CG B LYS A 117 ? 11.94722 47.87633 21.94243 0.431 33.09073 C ? A ? 116 CG 1
   ATOM 2469 CD B LYS A 117 ? 12.48490 49.15783 21.32165 0.431 36.85616 C ? A ? 116 CD 1
   ATOM 2470 CE B LYS A 117 ? 14.00614 49.19458 21.34504 0.431 36.86186 C ? A ? 116 CE 1
   ATOM 2471 NZ B LYS A 117 ? 14.62325 48.19531 20.41999 0.431 37.86648 N ? A ? 116 NZ 1
   ATOM 2472 H B LYS A 117 ? 8.11510 47.16477 21.63924 0.431 25.17708 H ? A ? 116 H 1
   ATOM 2473 HA B LYS A 117 ? 10.31054 45.74579 22.06521 0.431 26.00233 H ? A ? 116 HA 1
   ATOM 2474 HB2 B LYS A 117 ? 10.22483 47.82496 20.86135 0.431 32.10563 H ? A ? 116 HB2 1
   ATOM 2475 HB3 B LYS A 117 ? 10.05598 48.55305 22.26377 0.431 32.10563 H ? A ? 116 HB3 1
   ATOM 2476 HG2 B LYS A 117 ? 12.18713 47.86830 22.88226 0.431 39.70969 H ? A ? 116 HG2 1
   ATOM 2477 HG3 B LYS A 117 ? 12.35619 47.12254 21.48917 0.431 39.70969 H ? A ? 116 HG3 1
   ATOM 2478 HD2 B LYS A 117 ? 12.19293 49.21452 20.39838 0.431 44.22819 H ? A ? 116 HD2 1
   ATOM 2479 HD3 B LYS A 117 ? 12.15399 49.92032 21.82167 0.431 44.22819 H ? A ? 116 HD3 1
   ATOM 2480 HE2 B LYS A 117 ? 14.30538 50.07708 21.07569 0.431 44.23503 H ? A ? 116 HE2 1
   ATOM 2481 HE3 B LYS A 117 ? 14.31342 49.00021 22.24432 0.431 44.23503 H ? A ? 116 HE3 1
   ATOM 2482 HZ1 B LYS A 117 ? 15.51065 48.24442 20.46698 0.431 45.44058 H ? A ? 116 HZ1 1
   ATOM 2483 HZ2 B LYS A 117 ? 14.36713 47.37325 20.64520 0.431 45.44058 H ? A ? 116 HZ2 1
   ATOM 2484 HZ3 B LYS A 117 ? 14.36890 48.35789 19.58274 0.431 45.44058 H ? A ? 116 HZ3 1
   ATOM 2485 N . ALA A 118 ? 9.01142 47.18071 24.60940 1.000 22.19856 N ? A ? 117 N 1
   ATOM 2486 CA . ALA A 118 ? 9.07421 47.28653 26.05948 1.000 23.06115 C ? A ? 117 CA 1
   ATOM 2487 C . ALA A 118 ? 8.91852 45.92683 26.73211 1.000 22.34663 C ? A ? 117 C 1
   ATOM 2488 O . ALA A 118 ? 9.68357 45.60116 27.64529 1.000 25.54683 O ? A ? 117 O 1
   ATOM 2489 CB . ALA A 118 ? 8.02606 48.28634 26.54161 1.000 22.95346 C ? A ? 117 CB 1
   ATOM 2490 HA . ALA A 118 ? 9.94631 47.62338 26.31809 1.000 27.67418 H ? A ? 117 HA 1
   ATOM 2491 HB1 . ALA A 118 ? 8.08750 48.36780 27.50623 1.000 27.54496 H ? A ? 117 HB1 1
   ATOM 2492 HB2 . ALA A 118 ? 8.19494 49.14619 26.12563 1.000 27.54496 H ? A ? 117 HB2 1
   ATOM 2493 HB3 . ALA A 118 ? 7.14530 47.96550 26.29218 1.000 27.54496 H ? A ? 117 HB3 1
   ATOM 2494 H A ALA A 118 ? 8.38747 47.64708 24.24501 0.569 26.63907 H ? A ? 117 H 1
   ATOM 2495 H B ALA A 118 ? 8.33722 47.58504 24.26074 0.431 26.63907 H ? A ? 117 H 1
   ATOM 2496 N . CYS A 119 ? 7.91423 45.13567 26.33407 1.000 21.67814 N ? A ? 118 N 1
   ATOM 2497 CA . CYS A 119 ? 7.81549 43.77082 26.87001 1.000 19.87640 C ? A ? 118 CA 1
   ATOM 2498 C . CYS A 119 ? 9.02359 42.92580 26.47628 1.000 21.67134 C ? A ? 118 C 1
   ATOM 2499 O . CYS A 119 ? 9.62454 42.25940 27.32657 1.000 24.08366 O ? A ? 118 O 1
   ATOM 2500 CB . CYS A 119 ? 6.45242 43.14026 26.54630 1.000 18.46705 C ? A ? 118 CB 1
   ATOM 2501 SG . CYS A 119 ? 6.28412 41.63327 27.40386 1.000 22.06158 S ? A ? 118 SG 1
   ATOM 2502 H . CYS A 119 ? 7.29886 45.35593 25.77514 1.000 26.01458 H ? A ? 118 H 1
   ATOM 2503 HA . CYS A 119 ? 7.83528 43.80567 27.83918 1.000 23.85249 H ? A ? 118 HA 1
   ATOM 2504 HB2 . CYS A 119 ? 5.74097 43.73900 26.82243 1.000 22.16126 H ? A ? 118 HB2 1
   ATOM 2505 HB3 . CYS A 119 ? 6.38966 42.96745 25.59388 1.000 22.16126 H ? A ? 118 HB3 1
   ATOM 2506 N . HIS A 120 ? 9.43328 42.98530 25.21765 1.000 19.87826 N ? A ? 119 N 1
   ATOM 2507 CA . HIS A 120 ? 10.59658 42.21915 24.76255 1.000 24.47762 C ? A ? 119 CA 1
   ATOM 2508 C . HIS A 120 ? 11.82764 42.51448 25.61428 1.000 22.54379 C ? A ? 119 C 1
   ATOM 2509 O . HIS A 120 ? 12.56765 41.59194 26.01285 1.000 25.49338 O ? A ? 119 O 1
   ATOM 2510 CB . HIS A 120 ? 10.88221 42.53670 23.28387 1.000 24.29308 C ? A ? 119 CB 1
   ATOM 2511 CG . HIS A 120 ? 12.16406 41.96425 22.73961 1.000 31.31349 C ? A ? 119 CG 1
   ATOM 2512 ND1 . HIS A 120 ? 13.38839 42.58455 22.89185 1.000 35.62431 N ? A ? 119 ND1 1
   ATOM 2513 CD2 . HIS A 120 ? 12.39119 40.88072 21.95835 1.000 31.11667 C ? A ? 119 CD2 1
   ATOM 2514 CE1 . HIS A 120 ? 14.32030 41.87600 22.27777 1.000 34.56857 C ? A ? 119 CE1 1
   ATOM 2515 NE2 . HIS A 120 ? 13.74150 40.84270 21.69444 1.000 33.04006 N ? A ? 119 NE2 1
   ATOM 2516 H . HIS A 120 ? 9.06045 43.45859 24.60398 1.000 23.85472 H ? A ? 119 H 1
   ATOM 2517 HA . HIS A 120 ? 10.39558 41.27361 24.84298 1.000 29.37395 H ? A ? 119 HA 1
   ATOM 2518 HB2 . HIS A 120 ? 10.15582 42.18073 22.74858 1.000 29.15250 H ? A ? 119 HB2 1
   ATOM 2519 HB3 . HIS A 120 ? 10.92874 43.50013 23.18123 1.000 29.15250 H ? A ? 119 HB3 1
   ATOM 2520 HD1 . HIS A 120 ? 13.52366 43.31812 23.31984 1.000 42.74998 H ? A ? 119 HD1 1
   ATOM 2521 HD2 . HIS A 120 ? 11.75316 40.27515 21.65650 1.000 37.34081 H ? A ? 119 HD2 1
   ATOM 2522 HE1 . HIS A 120 ? 15.22921 42.07210 22.25974 1.000 41.48309 H ? A ? 119 HE1 1
   ATOM 2523 N . ASP A 121 ? 12.07250 43.79250 25.90608 1.000 27.78010 N ? A ? 120 N 1
   ATOM 2524 CA . ASP A 121 ? 13.29424 44.12449 26.62724 1.000 30.80292 C ? A ? 120 CA 1
   ATOM 2525 C . ASP A 121 ? 13.25962 43.62010 28.06629 1.000 32.81087 C ? A ? 120 C 1
   ATOM 2526 O . ASP A 121 ? 14.31382 43.31177 28.63575 1.000 32.17758 O ? A ? 120 O 1
   ATOM 2527 CB . ASP A 121 ? 13.52164 45.63197 26.55686 1.000 25.81832 C ? A ? 120 CB 1
   ATOM 2528 CG . ASP A 121 ? 13.90561 46.10702 25.17465 1.000 30.24214 C ? A ? 120 CG 1
   ATOM 2529 OD1 . ASP A 121 ? 14.13539 45.29006 24.25558 1.000 32.58132 O ? A ? 120 OD1 1
   ATOM 2530 OD2 . ASP A 121 ? 13.98646 47.35162 24.99058 1.000 35.31630 O ? A ? 120 OD2 1
   ATOM 2531 H . ASP A 121 ? 11.56642 44.45811 25.70497 1.000 33.33693 H ? A ? 120 H 1
   ATOM 2532 HA . ASP A 121 ? 14.05328 43.69267 26.20499 1.000 36.96430 H ? A ? 120 HA 1
   ATOM 2533 HB2 . ASP A 121 ? 12.70375 46.08641 26.81268 1.000 30.98279 H ? A ? 120 HB2 1
   ATOM 2534 HB3 . ASP A 121 ? 14.23834 45.87137 27.16508 1.000 30.98279 H ? A ? 120 HB3 1
   ATOM 2535 N . ALA A 122 ? 12.07409 43.50467 28.65816 1.000 28.58038 N ? A ? 121 N 1
   ATOM 2536 CA . ALA A 122 ? 11.93339 43.07609 30.03952 1.000 28.14586 C ? A ? 121 CA 1
   ATOM 2537 C . ALA A 122 ? 11.77884 41.56383 30.18678 1.000 38.00004 C ? A ? 121 C 1
   ATOM 2538 O . ALA A 122 ? 12.11172 41.01541 31.24892 1.000 35.35775 O ? A ? 121 O 1
   ATOM 2539 CB . ALA A 122 ? 10.72247 43.73814 30.69594 1.000 32.32853 C ? A ? 121 CB 1
   ATOM 2540 H . ALA A 122 ? 11.32434 43.67240 28.27172 1.000 34.29726 H ? A ? 121 H 1
   ATOM 2541 HA . ALA A 122 ? 12.73264 43.35700 30.51197 1.000 33.77584 H ? A ? 121 HA 1
   ATOM 2542 HB1 . ALA A 122 ? 10.64229 43.41660 31.60757 1.000 38.79504 H ? A ? 121 HB1 1
   ATOM 2543 HB2 . ALA A 122 ? 10.84884 44.69987 30.69431 1.000 38.79504 H ? A ? 121 HB2 1
   ATOM 2544 HB3 . ALA A 122 ? 9.92559 43.50838 30.19286 1.000 38.79504 H ? A ? 121 HB3 1
   ATOM 2545 N . TYR A 123 ? 11.27381 40.86280 29.16147 1.000 28.48826 N ? A ? 122 N 1
   ATOM 2546 CA . TYR A 123 ? 10.82799 39.49742 29.36735 1.000 27.83266 C ? A ? 122 CA 1
   ATOM 2547 C . TYR A 123 ? 11.15826 38.49266 28.28009 1.000 24.41378 C ? A ? 122 C 1
   ATOM 2548 O . TYR A 123 ? 10.73304 37.35565 28.40537 1.000 26.55222 O ? A ? 122 O 1
   ATOM 2549 CB . TYR A 123 ? 9.30613 39.50898 29.58776 1.000 32.44107 C ? A ? 122 CB 1
   ATOM 2550 CG . TYR A 123 ? 8.83563 40.23538 30.81296 1.000 27.70047 C ? A ? 122 CG 1
   ATOM 2551 CD1 . TYR A 123 ? 9.16118 39.77191 32.07768 1.000 33.98545 C ? A ? 122 CD1 1
   ATOM 2552 CD2 . TYR A 123 ? 8.02517 41.36503 30.71695 1.000 32.14781 C ? A ? 122 CD2 1
   ATOM 2553 CE1 . TYR A 123 ? 8.72076 40.41435 33.21529 1.000 36.28440 C ? A ? 122 CE1 1
   ATOM 2554 CE2 . TYR A 123 ? 7.58175 42.02485 31.85522 1.000 37.60378 C ? A ? 122 CE2 1
   ATOM 2555 CZ . TYR A 123 ? 7.91986 41.53912 33.10030 1.000 39.66140 C ? A ? 122 CZ 1
   ATOM 2556 OH . TYR A 123 ? 7.48164 42.17823 34.24001 1.000 40.16374 O ? A ? 122 OH 1
   ATOM 2557 H . TYR A 123 ? 11.18513 41.15817 28.35867 1.000 34.18672 H ? A ? 122 H 1
   ATOM 2558 HA . TYR A 123 ? 11.28648 39.16335 30.15418 1.000 33.39999 H ? A ? 122 HA 1
   ATOM 2559 HB2 . TYR A 123 ? 8.89037 39.93542 28.82212 1.000 38.93009 H ? A ? 122 HB2 1
   ATOM 2560 HB3 . TYR A 123 ? 9.00179 38.59095 29.66201 1.000 38.93009 H ? A ? 122 HB3 1
   ATOM 2561 HD1 . TYR A 123 ? 9.68856 39.01044 32.16096 1.000 40.78334 H ? A ? 122 HD1 1
   ATOM 2562 HD2 . TYR A 123 ? 7.77774 41.68152 29.87820 1.000 38.57818 H ? A ? 122 HD2 1
   ATOM 2563 HE1 . TYR A 123 ? 8.95993 40.09453 34.05518 1.000 43.54209 H ? A ? 122 HE1 1
   ATOM 2564 HE2 . TYR A 123 ? 7.05941 42.79044 31.77814 1.000 45.12535 H ? A ? 122 HE2 1
   ATOM 2565 HH . TYR A 123 ? 7.03824 42.86125 34.03392 1.000 48.19729 H ? A ? 122 HH 1
   ATOM 2566 N . PHE A 124 ? 11.84564 38.86445 27.22615 1.000 26.48573 N ? A ? 123 N 1
   ATOM 2567 CA . PHE A 124 ? 12.30146 37.94443 26.20037 1.000 35.29104 C ? A ? 123 CA 1
   ATOM 2568 C . PHE A 124 ? 13.76815 37.64821 26.47395 1.000 35.56218 C ? A ? 123 C 1
   ATOM 2569 O . PHE A 124 ? 14.55512 38.56875 26.69722 1.000 29.93730 O ? A ? 123 O 1
   ATOM 2570 CB . PHE A 124 ? 12.12996 38.57542 24.81776 1.000 25.99758 C ? A ? 123 CB 1
   ATOM 2571 CG . PHE A 124 ? 12.53780 37.68154 23.67503 1.000 28.12290 C ? A ? 123 CG 1
   ATOM 2572 CD1 . PHE A 124 ? 13.83908 37.65442 23.20873 1.000 33.54947 C ? A ? 123 CD1 1
   ATOM 2573 CD2 . PHE A 124 ? 11.59086 36.90107 23.02734 1.000 27.55006 C ? A ? 123 CD2 1
   ATOM 2574 CE1 . PHE A 124 ? 14.19874 36.83852 22.14776 1.000 33.84864 C ? A ? 123 CE1 1
   ATOM 2575 CE2 . PHE A 124 ? 11.93185 36.10193 21.96949 1.000 26.47125 C ? A ? 123 CE2 1
   ATOM 2576 CZ . PHE A 124 ? 13.24611 36.06265 21.52244 1.000 27.45612 C ? A ? 123 CZ 1
   ATOM 2577 H . PHE A 124 ? 12.07296 39.67931 27.07149 1.000 31.78369 H ? A ? 123 H 1
   ATOM 2578 HA . PHE A 124 ? 11.79740 37.11582 26.21580 1.000 42.35005 H ? A ? 123 HA 1
   ATOM 2579 HB2 . PHE A 124 ? 11.19499 38.80235 24.69433 1.000 31.19791 H ? A ? 123 HB2 1
   ATOM 2580 HB3 . PHE A 124 ? 12.67458 39.37685 24.77299 1.000 31.19791 H ? A ? 123 HB3 1
   ATOM 2581 HD1 . PHE A 124 ? 14.48212 38.19126 23.61272 1.000 40.26017 H ? A ? 123 HD1 1
   ATOM 2582 HD2 . PHE A 124 ? 10.70752 36.92126 23.31750 1.000 33.06087 H ? A ? 123 HD2 1
   ATOM 2583 HE1 . PHE A 124 ? 15.08207 36.81444 21.85786 1.000 40.61917 H ? A ? 123 HE1 1
   ATOM 2584 HE2 . PHE A 124 ? 11.28275 35.58481 21.54977 1.000 31.76630 H ? A ? 123 HE2 1
   ATOM 2585 HZ . PHE A 124 ? 13.48169 35.51728 20.80692 1.000 32.94814 H ? A ? 123 HZ 1
   ATOM 2586 N . LYS A 125 ? 14.13029 36.37392 26.48163 1.000 31.41270 N ? A ? 124 N 1
   ATOM 2587 CA . LYS A 125 ? 15.50752 35.97946 26.77738 1.000 41.63601 C ? A ? 124 CA 1
   ATOM 2588 C . LYS A 125 ? 16.42215 36.37580 25.61693 1.000 37.48473 C ? A ? 124 C 1
   ATOM 2589 O . LYS A 125 ? 16.42591 35.74016 24.54855 1.000 49.00142 O ? A ? 124 O 1
   ATOM 2590 H . LYS A 125 ? 13.60069 35.71603 26.31943 1.000 37.69605 H ? A ? 124 H 1
   ATOM 2591 HA . LYS A 125 ? 15.79291 36.41839 27.59396 1.000 49.96401 H ? A ? 124 HA 1
   ATOM 2592 CB A LYS A 125 ? 15.60787 34.46977 26.96985 0.658 41.71841 C ? A ? 124 CB 1
   ATOM 2593 CG A LYS A 125 ? 15.04380 33.95404 28.26181 0.658 34.90652 C ? A ? 124 CG 1
   ATOM 2594 CD A LYS A 125 ? 15.52432 32.52654 28.48148 0.658 43.64312 C ? A ? 124 CD 1
   ATOM 2595 CE A LYS A 125 ? 15.09096 31.99536 29.83460 0.658 42.45460 C ? A ? 124 CE 1
   ATOM 2596 NZ A LYS A 125 ? 15.56945 30.60469 30.05909 0.658 26.30299 N ? A ? 124 NZ 1
   ATOM 2597 HB2 A LYS A 125 ? 15.12559 34.03599 26.24864 0.658 50.06290 H ? A ? 124 HB2 1
   ATOM 2598 HB3 A LYS A 125 ? 16.54432 34.21855 26.94093 0.658 50.06290 H ? A ? 124 HB3 1
   ATOM 2599 HG2 A LYS A 125 ? 15.34887 34.50578 28.99898 0.658 41.88863 H ? A ? 124 HG2 1
   ATOM 2600 HG3 A LYS A 125 ? 14.07456 33.95753 28.22376 0.658 41.88863 H ? A ? 124 HG3 1
   ATOM 2601 HD2 A LYS A 125 ? 15.15041 31.95251 27.79477 0.658 52.37255 H ? A ? 124 HD2 1
   ATOM 2602 HD3 A LYS A 125 ? 16.49323 32.50402 28.44135 0.658 52.37255 H ? A ? 124 HD3 1
   ATOM 2603 HE2 A LYS A 125 ? 15.45817 32.55976 30.53282 0.658 50.94632 H ? A ? 124 HE2 1
   ATOM 2604 HE3 A LYS A 125 ? 14.12218 31.99523 29.88332 0.658 50.94632 H ? A ? 124 HE3 1
   ATOM 2605 HZ1 A LYS A 125 ? 15.14737 30.24630 30.75587 0.658 31.56439 H ? A ? 124 HZ1 1
   ATOM 2606 HZ2 A LYS A 125 ? 15.41012 30.10784 29.33808 0.658 31.56439 H ? A ? 124 HZ2 1
   ATOM 2607 HZ3 A LYS A 125 ? 16.44458 30.60632 30.22111 0.658 31.56439 H ? A ? 124 HZ3 1
   ATOM 2608 CB B LYS A 125 ? 15.60298 34.48842 27.12906 0.342 42.05396 C ? A ? 124 CB 1
   ATOM 2609 CG B LYS A 125 ? 15.88095 33.55839 25.98782 0.342 41.85393 C ? A ? 124 CG 1
   ATOM 2610 CD B LYS A 125 ? 16.11029 32.14528 26.50140 0.342 42.03529 C ? A ? 124 CD 1
   ATOM 2611 CE B LYS A 125 ? 16.50519 31.22787 25.36580 0.342 37.41156 C ? A ? 124 CE 1
   ATOM 2612 NZ B LYS A 125 ? 16.54188 29.79973 25.76645 0.342 34.90772 N ? A ? 124 NZ 1
   ATOM 2613 HB2 B LYS A 125 ? 16.32016 34.37447 27.77215 0.342 50.46556 H ? A ? 124 HB2 1
   ATOM 2614 HB3 B LYS A 125 ? 14.75897 34.21540 27.52152 0.342 50.46556 H ? A ? 124 HB3 1
   ATOM 2615 HG2 B LYS A 125 ? 15.12252 33.54893 25.38319 0.342 50.22552 H ? A ? 124 HG2 1
   ATOM 2616 HG3 B LYS A 125 ? 16.67721 33.84977 25.51670 0.342 50.22552 H ? A ? 124 HG3 1
   ATOM 2617 HD2 B LYS A 125 ? 16.82428 32.14967 27.15798 0.342 50.44315 H ? A ? 124 HD2 1
   ATOM 2618 HD3 B LYS A 125 ? 15.29359 31.80809 26.90165 0.342 50.44315 H ? A ? 124 HD3 1
   ATOM 2619 HE2 B LYS A 125 ? 15.86154 31.32059 24.64606 0.342 44.89467 H ? A ? 124 HE2 1
   ATOM 2620 HE3 B LYS A 125 ? 17.38989 31.47415 25.05347 0.342 44.89467 H ? A ? 124 HE3 1
   ATOM 2621 HZ1 B LYS A 125 ? 16.61093 29.28291 25.04518 0.342 41.89007 H ? A ? 124 HZ1 1
   ATOM 2622 HZ2 B LYS A 125 ? 17.24075 29.65024 26.29686 0.342 41.89007 H ? A ? 124 HZ2 1
   ATOM 2623 HZ3 B LYS A 125 ? 15.79656 29.58705 26.20389 0.342 41.89007 H ? A ? 124 HZ3 1
   HETATM 2624 N . PCA A 1 ? -5.60372 24.24524 28.05125 1.000 21.65168 N ? A ? 125 N 1
   HETATM 2625 CA . PCA A 1 ? -5.75873 23.47907 26.79771 1.000 23.53047 C ? A ? 125 CA 1
   HETATM 2626 C . PCA A 1 ? -4.48760 22.73320 26.37838 1.000 27.24705 C ? A ? 125 C 1
   HETATM 2627 O . PCA A 1 ? -4.38314 22.26001 25.25370 1.000 26.23186 O ? A ? 125 O 1
   HETATM 2628 CB . PCA A 1 ? -6.08618 24.48832 25.67550 1.000 23.30057 C ? A ? 125 CB 1
   HETATM 2629 CG . PCA A 1 ? -5.51869 25.75245 26.28224 1.000 23.85652 C ? A ? 125 CG 1
   HETATM 2630 CD . PCA A 1 ? -5.43827 25.54579 27.79086 1.000 19.91366 C ? A ? 125 CD 1
   HETATM 2631 OE . PCA A 1 ? -5.22504 26.42300 28.59853 1.000 21.62424 O ? A ? 125 OE 1
   HETATM 2632 H2 . PCA A 1 ? -6.37074 24.64857 28.23141 1.000 25.98283 H ? A ? 125 H2 1
   HETATM 2633 HA . PCA A 1 ? -6.45561 22.81671 26.92636 1.000 28.23737 H ? A ? 125 HA 1
   HETATM 2634 HB2 . PCA A 1 ? -5.65801 24.24532 24.83973 1.000 27.96149 H ? A ? 125 HB2 1
   HETATM 2635 HB3 . PCA A 1 ? -7.04061 24.54361 25.51143 1.000 27.96149 H ? A ? 125 HB3 1
   HETATM 2636 HG2 . PCA A 1 ? -4.62821 25.95764 25.95688 1.000 28.62863 H ? A ? 125 HG2 1
   HETATM 2637 HG3 . PCA A 1 ? -6.07173 26.53104 26.11238 1.000 28.62863 H ? A ? 125 HG3 1
   HETATM 2638 NB . HEC A 1127 ? 5.91437 40.53218 20.31378 1.000 18.42222 N ? B ? . NB 1
   HETATM 2639 ND . HEC A 1127 ? 7.23870 37.80018 22.96863 1.000 17.03857 N ? B ? . ND 1
   HETATM 2640 C1A . HEC A 1127 ? 8.05986 36.85234 20.23952 1.000 18.82091 C ? B ? . C1A 1
   HETATM 2641 C1B . HEC A 1127 ? 6.28477 40.58213 19.00333 1.000 20.37328 C ? B ? . C1B 1
   HETATM 2642 C1C . HEC A 1127 ? 4.86131 41.33520 22.96922 1.000 17.76262 C ? B ? . C1C 1
   HETATM 2643 C1D . HEC A 1127 ? 7.07114 37.95197 24.31459 1.000 17.81864 C ? B ? . C1D 1
   HETATM 2644 C2A . HEC A 1127 ? 8.38943 36.41982 18.91831 1.000 19.61353 C ? B ? . C2A 1
   HETATM 2645 C2B . HEC A 1127 ? 5.67835 41.72818 18.34921 1.000 19.71950 C ? B ? . C2B 1
   HETATM 2646 C2C . HEC A 1127 ? 4.38814 41.76890 24.25790 1.000 21.41478 C ? B ? . C2C 1
   HETATM 2647 C2D . HEC A 1127 ? 7.67252 36.80812 25.00453 1.000 22.82303 C ? B ? . C2D 1
   HETATM 2648 C3A . HEC A 1127 ? 8.07211 37.35601 18.03076 1.000 22.06277 C ? B ? . C3A 1
   HETATM 2649 C3B . HEC A 1127 ? 4.95021 42.30543 19.29378 1.000 20.22272 C ? B ? . C3B 1
   HETATM 2650 C3C . HEC A 1127 ? 4.91808 40.91406 25.18680 1.000 21.79250 C ? B ? . C3C 1
   HETATM 2651 C3D . HEC A 1127 ? 8.21740 35.99063 23.89305 1.000 20.62338 C ? B ? . C3D 1
   HETATM 2652 C4A . HEC A 1127 ? 7.52030 38.44722 18.82446 1.000 19.94500 C ? B ? . C4A 1
   HETATM 2653 C4B . HEC A 1127 ? 5.09874 41.63348 20.53916 1.000 17.69733 C ? B ? . C4B 1
   HETATM 2654 C4C . HEC A 1127 ? 5.71888 39.98431 24.43962 1.000 17.84791 C ? B ? . C4C 1
   HETATM 2655 C4D . HEC A 1127 ? 7.93492 36.64691 22.64756 1.000 19.30033 C ? B ? . C4D 1
   HETATM 2656 CAA . HEC A 1127 ? 8.97080 35.01744 18.63662 1.000 19.13939 C ? B ? . CAA 1
   HETATM 2657 CAB . HEC A 1127 ? 4.10842 43.58673 19.09443 1.000 21.13681 C ? B ? . CAB 1
   HETATM 2658 CAC . HEC A 1127 ? 4.82664 40.91162 26.71392 1.000 20.30017 C ? B ? . CAC 1
   HETATM 2659 CAD . HEC A 1127 ? 8.91004 34.64930 24.10023 1.000 19.82672 C ? B ? . CAD 1
   HETATM 2660 CBA . HEC A 1127 ? 7.93371 33.91122 18.69577 1.000 20.06885 C ? B ? . CBA 1
   HETATM 2661 CBB . HEC A 1127 ? 3.10783 43.55418 17.96245 1.000 18.82398 C ? B ? . CBB 1
   HETATM 2662 CBC . HEC A 1127 ? 3.51619 41.49919 27.24309 1.000 22.55599 C ? B ? . CBC 1
   HETATM 2663 CBD . HEC A 1127 ? 7.88812 33.54738 24.02245 1.000 18.58102 C ? B ? . CBD 1
   HETATM 2664 CGA . HEC A 1127 ? 8.51153 32.58502 18.25543 1.000 21.06690 C ? B ? . CGA 1
   HETATM 2665 CGD . HEC A 1127 ? 8.48945 32.16856 24.16429 1.000 19.12772 C ? B ? . CGD 1
   HETATM 2666 CHA . HEC A 1127 ? 8.24785 36.22355 21.42062 1.000 19.13080 C ? B ? . CHA 1
   HETATM 2667 CHB . HEC A 1127 ? 7.08048 39.66834 18.33884 1.000 24.31458 C ? B ? . CHB 1
   HETATM 2668 CHC . HEC A 1127 ? 4.55363 41.90089 21.75812 1.000 17.90072 C ? B ? . CHC 1
   HETATM 2669 CHD . HEC A 1127 ? 6.44469 38.94770 25.01139 1.000 21.25792 C ? B ? . CHD 1
   HETATM 2670 CMA . HEC A 1127 ? 8.21396 37.32192 16.51163 1.000 28.67864 C ? B ? . CMA 1
   HETATM 2671 CMB . HEC A 1127 ? 5.84483 42.08947 16.88430 1.000 23.20456 C ? B ? . CMB 1
   HETATM 2672 CMC . HEC A 1127 ? 3.44565 42.99192 24.45611 1.000 20.82440 C ? B ? . CMC 1
   HETATM 2673 CMD . HEC A 1127 ? 7.73676 36.50659 26.50695 1.000 22.71173 C ? B ? . CMD 1
   HETATM 2674 NA . HEC A 1127 ? 7.52157 38.12788 20.11716 1.000 18.37791 N ? B ? . NA 1
   HETATM 2675 NC . HEC A 1127 ? 5.64833 40.21709 23.12377 1.000 16.83955 N ? B ? . NC 1
   HETATM 2676 O1A . HEC A 1127 ? 9.35711 32.00456 19.03410 1.000 23.35983 O ? B ? . O1A 1
   HETATM 2677 O1D . HEC A 1127 ? 8.05589 31.44746 25.06099 1.000 20.36495 O ? B ? . O1D 1
   HETATM 2678 O2A . HEC A 1127 ? 8.20092 32.07980 17.16552 1.000 22.97985 O ? B ? . O2A 1
   HETATM 2679 O2D . HEC A 1127 ? 9.46785 31.86445 23.40746 1.000 21.52809 O ? B ? . O2D 1
   HETATM 2680 FE . HEC A 1127 ? 6.81560 39.32626 21.66122 1.000 18.59300 Fe ? B ? . FE 1
   HETATM 2681 N . NO A 1128 ? 8.13308 40.12038 21.82215 1.000 19.94879 N ? C ? . N 1
   HETATM 2682 O . NO A 1128 ? 8.97545 40.26097 22.96646 1.000 36.03046 O ? C ? . O 1
   HETATM 2683 O . HOH A 2001 ? 10.21785 41.48407 19.01178 1.000 48.11108 O ? D ? . O 1
   HETATM 2685 O . HOH A 2003 ? -4.33695 19.00599 24.69126 0.994 36.21075 O ? D ? . O 1
   HETATM 2686 O . HOH A 2005 ? -4.69244 28.96405 27.82361 0.868 21.95205 O ? D ? . O 1
   HETATM 2687 O . HOH A 2006 ? -3.05187 27.07468 30.25296 0.764 26.83413 O ? D ? . O 1
   HETATM 2688 O . HOH A 2007 ? -3.99081 27.99707 32.33435 0.965 33.82595 O ? D ? . O 1
   HETATM 2689 O . HOH A 2008 ? -1.87186 21.75964 22.23718 0.980 32.72821 O ? D ? . O 1
   HETATM 2690 O . HOH A 2009 ? -1.79144 19.81528 24.24492 0.865 27.10934 O ? D ? . O 1
   HETATM 2691 O . HOH A 2010 ? 4.99001 17.74482 31.73205 0.977 37.89589 O ? D ? . O 1
   HETATM 2692 O . HOH A 2016 ? 10.03018 21.70227 29.40797 0.853 29.76556 O ? D ? . O 1
   HETATM 2693 O . HOH A 2017 ? 7.08714 18.62494 30.47372 0.920 31.48158 O ? D ? . O 1
   HETATM 2695 O . HOH A 2019 ? -15.14781 48.62305 2.82815 0.822 38.25437 O ? D ? . O 1
   HETATM 2696 O . HOH A 2020 ? 0.27507 23.98168 21.20148 0.928 38.56142 O ? D ? . O 1
   HETATM 2697 O . HOH A 2021 ? 4.58337 18.85603 22.79480 0.954 43.10287 O ? D ? . O 1
   HETATM 2699 O . HOH A 2023 ? 8.62112 36.22323 13.11759 0.960 32.38908 O ? D ? . O 1
   HETATM 2700 O . HOH A 2025 ? 8.77258 40.69589 14.68067 0.981 40.27476 O ? D ? . O 1
   HETATM 2703 O . HOH A 2030 ? 0.13119 46.34620 1.87897 0.978 21.67377 O ? D ? . O 1
   HETATM 2704 O . HOH A 2031 ? -4.85813 36.84406 5.07328 0.998 26.31455 O ? D ? . O 1
   HETATM 2705 O . HOH A 2032 ? 7.88424 48.81700 14.09187 0.874 38.67147 O ? D ? . O 1
   HETATM 2706 O . HOH A 2034 ? 4.08238 58.76169 0.97070 0.845 33.76343 O ? D ? . O 1
   HETATM 2707 O . HOH A 2036 ? 4.63842 46.84967 0.04490 0.486 23.02434 O ? D ? . O 1
   HETATM 2708 O . HOH A 2037 ? 10.27556 50.96375 -1.19692 0.733 33.81238 O ? D ? . O 1
   HETATM 2709 O . HOH A 2039 ? 12.09677 27.81318 21.83064 1.000 33.13859 O ? D ? . O 1
   HETATM 2710 O . HOH A 2040 ? -7.04054 57.24265 -1.13782 0.999 34.65535 O ? D ? . O 1
   HETATM 2711 O . HOH A 2044 ? -12.97153 52.52924 3.25419 0.971 37.61692 O ? D ? . O 1
   HETATM 2712 O . HOH A 2045 ? -14.16727 48.43508 5.37803 1.000 30.26171 O ? D ? . O 1
   HETATM 2713 O . HOH A 2046 ? -12.84569 44.48126 3.87753 0.879 38.15231 O ? D ? . O 1
   HETATM 2715 O . HOH A 2048 ? -9.63522 39.71633 6.97265 0.973 26.14323 O ? D ? . O 1
   HETATM 2716 O . HOH A 2049 ? -11.73045 39.63615 11.35994 0.895 29.23842 O ? D ? . O 1
   HETATM 2718 O . HOH A 2054 ? 6.05384 36.71775 11.98710 0.889 25.56291 O ? D ? . O 1
   HETATM 2719 O . HOH A 2055 ? -12.37665 47.94823 22.28902 0.827 33.19062 O ? D ? . O 1
   HETATM 2720 O . HOH A 2058 ? -10.68148 39.32720 20.86111 0.991 44.60450 O ? D ? . O 1
   HETATM 2721 O . HOH A 2060 ? -11.16716 47.91036 19.83133 0.690 25.45756 O ? D ? . O 1
   HETATM 2722 O . HOH A 2061 ? -9.56179 35.32296 22.77429 0.989 29.12534 O ? D ? . O 1
   HETATM 2723 O . HOH A 2063 ? -5.37970 36.24477 28.93576 0.918 31.47871 O ? D ? . O 1
   HETATM 2724 O . HOH A 2064 ? -5.44396 33.01240 31.88514 0.897 28.47692 O ? D ? . O 1
   HETATM 2725 O . HOH A 2065 ? 6.89662 42.35988 13.06749 0.934 31.71036 O ? D ? . O 1
   HETATM 2726 O . HOH A 2066 ? 6.72728 38.96149 10.57314 0.987 33.57275 O ? D ? . O 1
   HETATM 2727 O . HOH A 2067 ? 4.79072 38.89297 7.53340 0.996 27.60975 O ? D ? . O 1
   HETATM 2728 O . HOH A 2068 ? 8.06909 42.95878 9.12273 1.000 43.08830 O ? D ? . O 1
   HETATM 2729 O . HOH A 2069 ? 7.57780 44.86404 6.43470 0.935 39.12293 O ? D ? . O 1
   HETATM 2730 O . HOH A 2070 ? -3.67254 38.67920 3.56532 1.000 32.04209 O ? D ? . O 1
   HETATM 2731 O . HOH A 2071 ? 3.46060 44.03582 3.52976 0.934 24.30257 O ? D ? . O 1
   HETATM 2732 O . HOH A 2072 ? -1.11855 36.39204 5.08011 0.933 21.11277 O ? D ? . O 1
   HETATM 2734 O . HOH A 2074 ? -0.10487 45.70179 4.57063 0.939 26.69640 O ? D ? . O 1
   HETATM 2735 O . HOH A 2075 ? -3.02623 41.57279 5.19960 1.000 28.03468 O ? D ? . O 1
   HETATM 2736 O . HOH A 2079 ? 8.34392 45.50100 9.75061 0.995 37.66815 O ? D ? . O 1
   HETATM 2738 O . HOH A 2081 ? 0.53293 54.34919 2.55364 0.920 23.64945 O ? D ? . O 1
   HETATM 2739 O . HOH A 2085 ? -13.69625 53.55154 17.13567 0.812 32.14830 O ? D ? . O 1
   HETATM 2741 O . HOH A 2088 ? 6.50964 48.54498 -0.55545 0.893 31.38548 O ? D ? . O 1
   HETATM 2742 O . HOH A 2089 ? 6.03891 49.28540 -4.14981 0.971 39.12522 O ? D ? . O 1
   HETATM 2743 O . HOH A 2090 ? 7.90615 52.02669 -2.54207 0.942 29.36356 O ? D ? . O 1
   HETATM 2744 O . HOH A 2091 ? -12.87190 50.99135 5.58472 0.978 28.61482 O ? D ? . O 1
   HETATM 2746 O . HOH A 2094 ? -0.80904 48.33464 0.15630 0.838 21.30186 O ? D ? . O 1
   HETATM 2747 O . HOH A 2097 ? -2.40791 55.37054 -1.02805 1.000 25.30771 O ? D ? . O 1
   HETATM 2748 O . HOH A 2098 ? -4.75581 56.26724 0.07540 0.920 26.52882 O ? D ? . O 1
   HETATM 2749 O . HOH A 2099 ? -5.62541 52.99969 -1.94217 0.930 31.97694 O ? D ? . O 1
   HETATM 2750 O . HOH A 2100 ? 3.24886 59.88953 13.76363 0.950 33.00322 O ? D ? . O 1
   HETATM 2751 O . HOH A 2101 ? 6.66377 53.16318 13.43264 0.967 36.40202 O ? D ? . O 1
   HETATM 2752 O . HOH A 2103 ? -9.76312 46.53076 0.33920 0.476 24.77231 O ? D ? . O 1
   HETATM 2753 O . HOH A 2107 ? 10.02587 43.99932 19.72249 1.000 45.68556 O ? D ? . O 1
   HETATM 2754 O . HOH A 2108 ? 8.14934 52.26219 26.00879 0.882 36.89644 O ? D ? . O 1
   HETATM 2755 O . HOH A 2109 ? 10.49694 52.15570 21.80526 0.660 26.45454 O ? D ? . O 1
   HETATM 2757 O . HOH A 2111 ? -10.87396 51.52030 1.33863 0.870 25.61598 O ? D ? . O 1
   HETATM 2758 O . HOH A 2112 ? 4.54397 48.69207 28.43891 0.843 27.93509 O ? D ? . O 1
   HETATM 2759 O . HOH A 2113 ? -6.70192 42.98785 4.68317 0.991 25.41388 O ? D ? . O 1
   HETATM 2760 O . HOH A 2114 ? -3.11527 49.54081 2.62939 0.949 20.71371 O ? D ? . O 1
   HETATM 2761 O . HOH A 2115 ? -4.60526 42.39443 2.98241 0.972 30.64982 O ? D ? . O 1
   HETATM 2762 O . HOH A 2117 ? -16.32432 48.30711 7.22476 0.968 39.16329 O ? D ? . O 1
   HETATM 2763 O . HOH A 2118 ? -10.66420 41.03283 9.19517 1.000 27.60836 O ? D ? . O 1
   HETATM 2764 O . HOH A 2119 ? -2.48194 44.44204 5.77376 1.000 27.57002 O ? D ? . O 1
   HETATM 2765 O . HOH A 2120 ? -7.22169 40.98907 6.47702 0.710 28.49204 O ? D ? . O 1
   HETATM 2767 O . HOH A 2122 ? -13.33339 45.06015 7.99328 0.971 30.24421 O ? D ? . O 1
   HETATM 2768 O . HOH A 2124 ? -13.47565 46.93779 13.04438 0.889 35.36361 O ? D ? . O 1
   HETATM 2770 O . HOH A 2126 ? -9.00111 41.81072 21.42730 0.793 35.33601 O ? D ? . O 1
   HETATM 2771 O . HOH A 2127 ? -13.21215 47.04272 18.13386 0.708 34.84033 O ? D ? . O 1
   HETATM 2772 O . HOH A 2129 ? -10.69651 38.71918 13.49385 0.923 37.20997 O ? D ? . O 1
   HETATM 2773 O . HOH A 2130 ? -11.55161 40.28686 18.25338 1.000 41.21011 O ? D ? . O 1
   HETATM 2774 O . HOH A 2131 ? -9.00380 36.79177 20.60076 1.000 22.78199 O ? D ? . O 1
   HETATM 2775 O . HOH A 2132 ? -6.23149 42.88015 21.56386 0.847 31.76738 O ? D ? . O 1
   HETATM 2776 O . HOH A 2133 ? -4.67994 35.35602 26.30238 0.912 26.20659 O ? D ? . O 1
   HETATM 2777 O . HOH A 2134 ? -5.07567 31.95591 23.88897 0.923 17.31154 O ? D ? . O 1
   HETATM 2778 O . HOH A 2135 ? 0.03605 36.12003 30.78943 0.584 26.74674 O ? D ? . O 1
   HETATM 2779 O . HOH A 2138 ? -3.55210 30.76642 31.70812 0.902 29.85648 O ? D ? . O 1
   HETATM 2780 O . HOH A 2139 ? 1.17185 34.79054 32.93933 0.912 35.96725 O ? D ? . O 1
   HETATM 2781 O . HOH A 2140 ? -0.68540 28.37400 29.72783 0.980 25.64603 O ? D ? . O 1
   HETATM 2782 O . HOH A 2142 ? -0.74563 26.64069 33.77611 0.986 39.99099 O ? D ? . O 1
   HETATM 2783 O . HOH A 2143 ? 7.88944 24.69796 32.74986 0.863 28.08035 O ? D ? . O 1
   HETATM 2785 O . HOH A 2145 ? 8.72430 24.02825 28.70997 0.807 26.96482 O ? D ? . O 1
   HETATM 2786 O . HOH A 2147 ? 13.81492 36.51877 39.30273 0.947 29.46836 O ? D ? . O 1
   HETATM 2787 O . HOH A 2148 ? 2.57689 36.00079 34.97977 0.936 37.60541 O ? D ? . O 1
   HETATM 2788 O . HOH A 2151 ? 12.83264 38.61925 40.60882 0.791 29.82196 O ? D ? . O 1
   HETATM 2789 O . HOH A 2154 ? 0.51858 38.01649 34.52838 0.975 36.23499 O ? D ? . O 1
   HETATM 2792 O . HOH A 2159 ? -5.34809 37.65615 36.88277 1.000 39.81394 O ? D ? . O 1
   HETATM 2793 O . HOH A 2162 ? 1.88754 49.90464 36.48495 0.836 32.16004 O ? D ? . O 1
   HETATM 2794 O . HOH A 2165 ? 1.20781 50.23203 34.22301 0.806 28.57676 O ? D ? . O 1
   HETATM 2797 O . HOH A 2168 ? -5.73923 38.94073 29.34021 0.942 41.57172 O ? D ? . O 1
   HETATM 2798 O . HOH A 2169 ? -1.11327 38.17001 32.05926 0.943 34.60850 O ? D ? . O 1
   HETATM 2803 O . HOH A 2180 ? -1.82293 52.49128 19.47633 0.657 24.42636 O ? D ? . O 1
   HETATM 2804 O . HOH A 2181 ? -10.90965 50.67095 19.11989 0.926 26.49213 O ? D ? . O 1
   HETATM 2805 O . HOH A 2182 ? -6.20322 56.02726 17.30925 0.831 31.61258 O ? D ? . O 1
   HETATM 2806 O . HOH A 2183 ? -8.85774 46.54900 19.50841 0.698 24.35538 O ? D ? . O 1
   HETATM 2807 O . HOH A 2184 ? -9.81068 46.26612 14.91755 0.924 23.05961 O ? D ? . O 1
   HETATM 2808 O . HOH A 2185 ? -12.69758 54.97428 15.11715 0.985 32.80089 O ? D ? . O 1
   HETATM 2809 O . HOH A 2186 ? -11.56952 52.63307 7.48144 0.864 27.87166 O ? D ? . O 1
   HETATM 2810 O . HOH A 2187 ? -7.85337 51.77014 7.75413 0.923 20.61753 O ? D ? . O 1
   HETATM 2811 O . HOH A 2188 ? -12.62536 51.02901 17.00238 1.000 31.09694 O ? D ? . O 1
   HETATM 2812 O . HOH A 2189 ? -12.45051 46.96359 15.58469 0.914 36.67808 O ? D ? . O 1
   HETATM 2813 O . HOH A 2191 ? -9.66361 47.62567 12.57948 0.851 21.90617 O ? D ? . O 1
   HETATM 2814 O . HOH A 2192 ? -14.92362 52.07563 9.69369 0.901 36.07942 O ? D ? . O 1
   HETATM 2815 O . HOH A 2196 ? -9.73907 57.18794 4.51191 0.927 35.67231 O ? D ? . O 1
   HETATM 2817 O . HOH A 2199 ? -6.22125 59.34612 5.90360 0.975 39.13224 O ? D ? . O 1
   HETATM 2818 O . HOH A 2201 ? -3.76298 57.19757 16.74995 0.736 30.40053 O ? D ? . O 1
   HETATM 2819 O . HOH A 2203 ? 0.86760 60.81156 12.76965 0.948 28.42484 O ? D ? . O 1
   HETATM 2820 O . HOH A 2204 ? 3.83391 57.18640 17.33517 0.992 39.46834 O ? D ? . O 1
   HETATM 2821 O . HOH A 2205 ? 6.72724 50.76785 15.33753 0.884 34.94573 O ? D ? . O 1
   HETATM 2822 O . HOH A 2206 ? 7.86662 52.20405 17.62216 0.904 39.19693 O ? D ? . O 1
   HETATM 2823 O . HOH A 2207 ? 3.38049 52.96123 23.57433 0.971 27.96872 O ? D ? . O 1
   HETATM 2824 O . HOH A 2208 ? 5.52871 55.96585 19.39681 0.938 34.07513 O ? D ? . O 1
   HETATM 2825 O . HOH A 2209 ? 4.88693 55.31285 22.51893 1.000 35.24219 O ? D ? . O 1
   HETATM 2826 O . HOH A 2212 ? 9.57187 50.86820 24.05612 0.971 30.09635 O ? D ? . O 1
   HETATM 2828 O . HOH A 2214 ? 4.28438 46.26990 26.93703 0.867 24.37916 O ? D ? . O 1
   HETATM 2829 O . HOH A 2215 ? 5.39125 51.44273 25.51128 0.807 32.18278 O ? D ? . O 1
   HETATM 2830 O . HOH A 2216 ? 11.10239 47.29696 29.28569 0.782 32.95946 O ? D ? . O 1
   HETATM 2831 O . HOH A 2218 ? 11.89548 49.50120 25.51742 0.776 33.58471 O ? D ? . O 1
   HETATM 2833 O . HOH A 2222 ? 10.13282 33.12866 21.25235 0.886 20.98192 O ? D ? . O 1
   HETATM 5035 O . HOH S 2223 ? -5.02838 52.14496 29.31352 0.977 26.91009 O ? E ? . O 1
   HETATM 5037 O . HOH S 2225 ? 1.14222 61.47311 10.27497 0.931 35.48990 O ? E ? . O 1
   HETATM 5038 O . HOH S 2226 ? 4.96244 27.03215 17.16217 0.644 29.55377 O ? E ? . O 1
   HETATM 5039 O . HOH S 2227 ? -4.20100 47.63096 33.52781 0.779 35.52077 O ? E ? . O 1
   HETATM 5040 O . HOH S 2228 ? 2.68257 51.81903 37.62716 0.565 28.56648 O ? E ? . O 1
   HETATM 5041 O . HOH S 2229 ? -8.87201 53.66087 0.79578 0.914 30.47743 O ? E ? . O 1
   HETATM 5042 O . HOH S 2230 ? 7.53861 27.60765 17.64410 0.750 30.62414 O ? E ? . O 1
   HETATM 5043 O . HOH S 2231 ? -3.81564 35.05431 30.85559 0.836 30.91003 O ? E ? . O 1
   HETATM 5048 O . HOH S 2236 ? -5.96299 38.28934 7.09302 0.876 34.27282 O ? E ? . O 1
   HETATM 5050 O . HOH S 2238 ? -12.96199 42.19200 8.21495 0.932 37.86883 O ? E ? . O 1
   HETATM 5051 O . HOH S 2239 ? -0.72991 49.33669 37.78406 0.902 43.19912 O ? E ? . O 1
   HETATM 5053 O . HOH S 2241 ? 7.91283 52.33594 11.16958 1.000 39.76270 O ? E ? . O 1
   HETATM 5054 O . HOH S 2242 ? 11.21716 49.63146 28.27443 0.654 30.88221 O ? E ? . O 1
   HETATM 5055 O . HOH S 2243 ? 6.09626 41.23155 9.11527 0.986 36.07568 O ? E ? . O 1
   HETATM 5056 O . HOH S 2244 ? -12.98630 54.97268 7.09978 0.774 36.99965 O ? E ? . O 1
   HETATM 5057 O . HOH S 2245 ? 11.83634 34.53178 38.75161 0.440 23.99070 O ? E ? . O 1
   HETATM 5058 O . HOH S 2246 ? -8.48309 41.92593 25.17406 0.988 45.12665 O ? E ? . O 1
   HETATM 5061 O . HOH S 2249 ? 0.28031 48.91503 32.04142 0.453 31.31770 O ? E ? . O 1
   HETATM 5062 O . HOH S 2250 ? -1.99815 37.47488 36.14041 0.989 46.00935 O ? E ? . O 1
   HETATM 5066 O . HOH S 2254 ? -9.35789 42.63417 3.21565 0.746 38.88556 O ? E ? . O 1
   HETATM 5068 O . HOH S 2256 ? -2.01114 56.78349 18.79104 0.796 41.34745 O ? E ? . O 1
   HETATM 5069 O . HOH S 2257 ? -13.26652 42.02821 5.34679 0.827 39.82073 O ? E ? . O 1
   HETATM 5070 O . HOH S 2258 ? 10.24412 47.59619 31.99165 0.608 36.03206 O ? E ? . O 1
   HETATM 5075 O . HOH S 2263 ? 10.68669 39.24173 19.90124 0.911 42.65793 O ? E ? . O 1
   HETATM 5080 O . HOH S 2268 ? 9.15047 42.34263 36.28552 0.568 42.05480 O ? E ? . O 1
   HETATM 5083 O . HOH S 2271 ? -6.34969 45.80147 27.63809 0.495 23.58312 O ? E ? . O 1
   HETATM 5084 O . HOH S 2272 ? -10.89061 57.36761 16.38172 0.983 39.86838 O ? E ? . O 1
   HETATM 5085 O . HOH S 2273 ? -6.39457 35.00768 33.44785 0.763 36.04081 O ? E ? . O 1
   HETATM 5089 O . HOH S 2277 ? -14.76084 55.06458 13.12732 0.610 35.40818 O ? E ? . O 1
   HETATM 5090 O . HOH S 2278 ? 11.32481 41.66311 35.00847 1.000 48.91328 O ? E ? . O 1
   HETATM 5093 O . HOH S 2281 ? 2.75479 30.98084 37.98282 0.750 39.13268 O ? E ? . O 1
   HETATM 5094 O . HOH S 2282 ? 7.83785 54.90785 18.84843 0.908 44.04890 O ? E ? . O 1
   HETATM 5098 O . HOH S 2286 ? 10.24992 38.36770 41.09262 0.593 35.16011 O ? E ? . O 1
   HETATM 5100 O . HOH S 2288 ? -15.23509 52.69396 6.91856 0.922 46.02921 O ? E ? . O 1
   HETATM 5104 O . HOH S 2292 ? 8.94167 46.62754 18.18645 0.906 39.61962 O ? E ? . O 1
   HETATM 5106 O . HOH S 2294 ? 7.99215 44.60537 12.75941 0.754 36.65476 O ? E ? . O 1
   HETATM 5110 O . HOH S 2298 ? -1.73419 44.19324 36.81668 0.773 41.50587 O ? E ? . O 1
   HETATM 5117 O . HOH S 2305 ? -14.75070 49.60248 18.17187 0.768 41.78664 O ? E ? . O 1
   HETATM 5119 O . HOH S 2307 ? 16.37922 40.05184 25.13996 0.680 37.12911 O ? E ? . O 1
   HETATM 5121 O . HOH S 2309 ? -10.84590 40.58332 4.72991 0.822 40.73840 O ? E ? . O 1
   HETATM 5122 O . HOH S 2310 ? -8.16925 53.15243 -1.69188 0.839 42.61940 O ? E ? . O 1
   HETATM 5178 O . HOH S 2314 ? 2.80691 46.29696 2.01262 0.928 24.13318 O ? F ? . O 1
   HETATM 5179 O . HOH S 2315 ? -12.46938 46.26572 5.92593 0.942 24.59008 O ? F ? . O 1
   HETATM 5180 O . HOH S 2316 ? 8.76817 34.09613 14.79774 0.927 24.71312 O ? F ? . O 1
   HETATM 5181 O . HOH S 2317 ? 3.35560 50.14048 26.58634 0.907 29.83993 O ? F ? . O 1
   HETATM 5185 O . HOH S 2321 ? -4.94833 40.61776 6.68720 0.982 48.51087 O ? F ? . O 1
   HETATM 5186 O . HOH S 2322 ? 5.02272 46.62414 34.40316 0.655 33.68699 O ? F ? . O 1
   HETATM 5190 O . HOH S 2326 ? 12.15031 38.16599 18.21132 0.989 42.53995 O ? F ? . O 1
   HETATM 5201 O . HOH S 2337 ? -0.11137 58.19258 19.47317 0.498 34.08802 O ? F ? . O 1
   HETATM 5205 O . HOH S 2341 ? -12.46487 50.00323 -0.21921 0.533 34.01142 O ? F ? . O 1
   HETATM 5208 O . HOH S 2344 ? -11.24994 45.04906 22.97781 0.689 28.40289 O ? F ? . O 1
   HETATM 5215 O . HOH S 2351 ? -15.00641 47.02597 21.99139 0.854 41.03707 O ? F ? . O 1
   HETATM 5217 O . HOH S 2353 ? -0.90624 17.56634 23.15023 0.916 39.13598 O ? F ? . O 1
   HETATM 5219 O . HOH S 2355 ? 5.76337 56.85742 15.36885 0.973 41.85771 O ? F ? . O 1
   HETATM 5222 O . HOH S 2358 ? 4.51742 45.63232 39.82545 0.628 38.43274 O ? F ? . O 1
   HETATM 5224 O . HOH S 2360 ? 10.60034 48.54284 17.56219 0.865 48.11990 O ? F ? . O 1
   HETATM 5230 O . HOH S 2361 ? 4.36255 28.73670 37.42473 0.553 33.35092 O ? G ? . O 1
   HETATM 5235 O . HOH S 2366 ? 5.61302 41.47047 6.83732 0.505 28.38833 O ? G ? . O 1
   HETATM 5236 O . HOH S 2367 ? 4.84837 54.51643 12.82223 0.620 35.63214 O ? G ? . O 1
   HETATM 5239 O . HOH S 2370 ? 1.11365 22.69548 19.19134 0.381 21.99703 O ? G ? . O 1
   HETATM 5241 O . HOH S 2372 ? -7.25626 39.32204 31.21780 0.475 28.48860 O ? G ? . O 1
   HETATM 5244 O . HOH S 2375 ? -7.43718 59.57550 17.05122 0.393 25.83470 O ? G ? . O 1
   HETATM 5247 O . HOH S 2378 ? -8.40001 35.76882 5.33519 0.541 41.18461 O ? G ? . O 1
   HETATM 5248 O . HOH S 2379 ? -5.52443 37.66500 33.23497 0.710 41.72529 O ? G ? . O 1
   HETATM 5249 O . HOH S 2380 ? 4.56642 42.10507 39.62661 0.588 39.31260 O ? G ? . O 1
   HETATM 5256 O . HOH S 2387 ? 8.56275 44.86187 -1.48236 0.412 27.98828 O ? G ? . O 1
   HETATM 5258 O . HOH S 2389 ? 2.26452 24.30800 34.32633 0.570 25.64658 O ? G ? . O 1
   HETATM 5260 O . HOH S 2391 ? 11.52514 49.19737 6.66348 0.346 35.58838 O ? G ? . O 1
   HETATM 5273 O . HOH S 2404 ? -15.45109 50.39772 6.71104 0.314 30.53590 O ? G ? . O 1
   HETATM 5277 O . HOH S 2408 ? 14.14958 46.64886 29.90808 0.384 27.88663 O ? G ? . O 1
   HETATM 5279 O . HOH S 2410 ? -3.08749 26.88156 34.75938 0.520 28.70790 O ? G ? . O 1
   HETATM 5283 O . HOH S 2414 ? -8.02695 55.81069 -2.89100 0.384 33.51792 O ? G ? . O 1
   HETATM 5287 O . HOH S 2418 ? 9.71428 51.34223 19.46007 0.428 28.36875 O ? G ? . O 1
   HETATM 5289 O . HOH S 2420 ? -8.11049 43.71742 27.11458 0.332 31.86350 O ? G ? . O 1
   HETATM 5309 O . HOH S 2422 ? -6.73172 35.62367 3.83210 0.412 28.42532 O ? H ? . O 1
   HETATM 5313 O . HOH S 2426 ? -8.09861 41.79590 28.02636 0.452 33.00286 O ? H ? . O 1
   HETATM 5325 O . HOH S 2438 ? -2.50989 42.29787 38.39505 0.576 39.95873 O ? H ? . O 1
   HETATM 5341 O . HOH S 2454 ? -3.28611 37.08909 32.76290 0.398 36.26013 O ? H ? . O 1
   HETATM 5349 O . HOH S 2462 ? -8.10334 57.23350 15.97023 0.352 27.18131 O ? H ? . O 1
   HETATM 5358 O . HOH S 2466 ? -8.90162 44.30857 21.54140 0.324 21.30600 O ? I ? . O 1
   HETATM 5365 O . HOH S 2473 ? -7.27908 41.79801 2.70860 0.300 30.79419 O ? I ? . O 1
   HETATM 5368 O . HOH S 2476 ? -1.69059 39.89821 38.41399 0.510 36.87224 O ? I ? . O 1
   HETATM 5371 O . HOH S 2479 ? 8.24958 25.53542 20.51857 0.335 29.94508 O ? I ? . O 1
   HETATM 5375 O . HOH S 2483 ? -4.37395 63.19046 14.19965 0.424 38.80368 O ? I ? . O 1
   HETATM 5376 O . HOH S 2484 ? -10.48349 44.81636 1.74957 0.238 28.63328 O ? I ? . O 1
   HETATM 5379 O . HOH S 2487 ? 11.37049 34.20829 15.93395 0.553 36.14533 O ? I ? . O 1
   HETATM 5394 O . HOH S 2502 ? -15.27023 50.72696 20.92546 0.369 32.09790 O ? I ? . O 1
   HETATM 5399 O . HOH S 2507 ? 9.69066 41.05617 16.80791 0.339 39.73555 O ? I ? . O 1
   HETATM 5400 O . HOH S 2508 ? -7.87099 44.99228 25.41604 0.302 31.91052 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_NO
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.partial_charge
   NO N N N 0.000
   NO O O O 0.000

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

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
   NO O N coval 1.450 0.020

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

