data_2xlm_qFit
_cell.length_a                    53.831
_cell.length_b                    53.831
_cell.length_c                    180.703
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      453482.902
_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     12.73
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              36.87
_refine.ls_d_res_high             1.19
_refine.pdbx_ls_sigma_F           1.32
_refine.ls_percent_reflns_obs     94.45
_refine.ls_number_reflns_obs      48084
_refine.ls_number_reflns_R_work   46089
_refine.ls_number_reflns_R_free   1995
_refine.ls_R_factor_obs           0.2005
_refine.ls_R_factor_R_work        0.1995
_refine.ls_R_factor_R_free        0.2241
_refine.ls_percent_reflns_R_free  4.15
_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             0.1431
_refine.pdbx_overall_phase_error  27.1204
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                17.64
_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 1391 0.0301 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1918 2.1404 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 186 0.1464 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 256 0.0190 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 512 15.9965 ? ?

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' 2.87 36.87 3842 0.1840 99.70 0.2066 166
   'X-RAY DIFFRACTION' 2.28 2.87 3580 0.1840 99.79 0.1971 155
   'X-RAY DIFFRACTION' 1.99 2.28 3506 0.1861 99.27 0.1941 152
   'X-RAY DIFFRACTION' 1.81 1.99 3440 0.1976 98.11 0.2422 148
   'X-RAY DIFFRACTION' 1.68 1.81 3421 0.2012 98.37 0.2535 148
   'X-RAY DIFFRACTION' 1.58 1.68 3380 0.2035 97.70 0.2437 146
   'X-RAY DIFFRACTION' 1.50 1.58 3349 0.2124 97.27 0.2267 146
   'X-RAY DIFFRACTION' 1.43 1.50 3345 0.2307 96.86 0.2663 145
   'X-RAY DIFFRACTION' 1.38 1.43 3296 0.2284 96.22 0.2728 141
   'X-RAY DIFFRACTION' 1.33 1.38 3268 0.2337 95.57 0.2640 142
   'X-RAY DIFFRACTION' 1.29 1.33 3269 0.2437 95.36 0.2676 143
   'X-RAY DIFFRACTION' 1.25 1.29 3189 0.2608 93.98 0.2912 138
   'X-RAY DIFFRACTION' 1.22 1.25 2948 0.2958 86.28 0.3145 127
   'X-RAY DIFFRACTION' 1.19 1.22 2256 0.3178 66.33 0.3581 98

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale PHE A 2 N PHE A 1 N . PCA A 1 C PCA A 127 C . 'Bond created based on atom type and distance.'
   C00002 covale CYS A 116 SG CYS A 115 SG . HEC A 128 CAB HEC C . CAB . 'Bond created based on atom type and distance.'
   C00003 covale CYS A 119 SG CYS A 118 SG . HEC A 128 CAC HEC C . CAC . 'Bond created based on atom type and distance.'
   C00004 covale CYS A 119 SG CYS A 118 SG . HEC A 128 CAC HEC C . CAC . 'Bond created based on atom type and distance.'
   C00005 covale NO A 129 N NO B . N . HEC A 128 FE HEC C . FE . 'Bond created based on atom type and distance.'

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

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

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . PHE A 2 ? -3.43954 22.81332 27.30254 1.000 12.76694 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -2.10204 22.32802 26.94579 1.000 13.63924 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -1.76759 21.10683 27.80592 1.000 16.21287 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -1.85991 21.14557 29.07141 1.000 16.99258 O ? A ? 1 O 1
   ATOM 5 HA . PHE A 2 ? -2.02989 22.04166 26.02183 1.000 16.33952 H ? A ? 1 HA 1
   ATOM 6 CB A PHE A 2 ? -1.13742 23.47438 27.14770 0.561 14.35357 C ? A ? 1 CB 1
   ATOM 7 CG A PHE A 2 ? -1.55567 24.74429 26.43688 0.561 13.14466 C ? A ? 1 CG 1
   ATOM 8 CD1 A PHE A 2 ? -1.68868 24.75854 25.12131 0.561 13.17372 C ? A ? 1 CD1 1
   ATOM 9 CD2 A PHE A 2 ? -1.73128 25.92323 27.08780 0.561 12.69938 C ? A ? 1 CD2 1
   ATOM 10 CE1 A PHE A 2 ? -2.04929 25.98786 24.41117 0.561 12.78536 C ? A ? 1 CE1 1
   ATOM 11 CE2 A PHE A 2 ? -2.10994 27.07246 26.42405 0.561 12.77881 C ? A ? 1 CE2 1
   ATOM 12 CZ A PHE A 2 ? -2.25984 27.09212 25.07060 0.561 13.17793 C ? A ? 1 CZ 1
   ATOM 13 HB2 A PHE A 2 ? -1.07738 23.67002 28.09586 0.561 17.19672 H ? A ? 1 HB2 1
   ATOM 14 HB3 A PHE A 2 ? -0.26710 23.21527 26.80666 0.561 17.19672 H ? A ? 1 HB3 1
   ATOM 15 HD1 A PHE A 2 ? -1.55102 23.97532 24.63912 0.561 15.78090 H ? A ? 1 HD1 1
   ATOM 16 HD2 A PHE A 2 ? -1.59246 25.95707 28.00676 0.561 15.21168 H ? A ? 1 HD2 1
   ATOM 17 HE1 A PHE A 2 ? -2.12844 25.98035 23.48457 0.561 15.31487 H ? A ? 1 HE1 1
   ATOM 18 HE2 A PHE A 2 ? -2.26593 27.84931 26.91096 0.561 15.30700 H ? A ? 1 HE2 1
   ATOM 19 HZ A PHE A 2 ? -2.50584 27.87260 24.62874 0.561 15.78595 H ? A ? 1 HZ 1
   ATOM 20 CB B PHE A 2 ? -1.14941 23.46841 27.14119 0.439 14.34254 C ? A ? 1 CB 1
   ATOM 21 CG B PHE A 2 ? -1.56142 24.70162 26.39051 0.439 13.14014 C ? A ? 1 CG 1
   ATOM 22 CD1 B PHE A 2 ? -1.70819 24.64249 25.05193 0.439 13.23661 C ? A ? 1 CD1 1
   ATOM 23 CD2 B PHE A 2 ? -1.76686 25.89610 27.01176 0.439 12.71494 C ? A ? 1 CD2 1
   ATOM 24 CE1 B PHE A 2 ? -2.06523 25.77253 24.28113 0.439 12.83612 C ? A ? 1 CE1 1
   ATOM 25 CE2 B PHE A 2 ? -2.14020 27.00633 26.28498 0.439 12.74439 C ? A ? 1 CE2 1
   ATOM 26 CZ B PHE A 2 ? -2.28824 26.93111 24.89387 0.439 12.90622 C ? A ? 1 CZ 1
   ATOM 27 HB2 B PHE A 2 ? -1.11061 23.68972 28.08481 0.439 17.18348 H ? A ? 1 HB2 1
   ATOM 28 HB3 B PHE A 2 ? -0.27096 23.20401 26.82604 0.439 17.18348 H ? A ? 1 HB3 1
   ATOM 29 HD1 B PHE A 2 ? -1.56981 23.83029 24.62055 0.439 15.85637 H ? A ? 1 HD1 1
   ATOM 30 HD2 B PHE A 2 ? -1.65451 25.96317 27.93251 0.439 15.23035 H ? A ? 1 HD2 1
   ATOM 31 HE1 B PHE A 2 ? -2.14315 25.70627 23.35678 0.439 15.37577 H ? A ? 1 HE1 1
   ATOM 32 HE2 B PHE A 2 ? -2.29519 27.81249 26.72200 0.439 15.26570 H ? A ? 1 HE2 1
   ATOM 33 HZ B PHE A 2 ? -2.53919 27.68173 24.40550 0.439 15.45990 H ? A ? 1 HZ 1
   ATOM 34 N . ALA A 3 ? -1.43422 20.00541 27.13885 1.000 18.43501 N ? A ? 2 N 1
   ATOM 35 CA . ALA A 3 ? -1.16460 18.76463 27.88365 1.000 19.33124 C ? A ? 2 CA 1
   ATOM 36 C . ALA A 3 ? 0.09929 18.90493 28.69646 1.000 19.90529 C ? A ? 2 C 1
   ATOM 37 O . ALA A 3 ? 0.18945 18.36051 29.82120 1.000 21.64314 O ? A ? 2 O 1
   ATOM 38 CB . ALA A 3 ? -1.07643 17.60785 26.91592 1.000 21.81548 C ? A ? 2 CB 1
   ATOM 39 H . ALA A 3 ? -1.35795 19.94466 26.28440 1.000 22.09444 H ? A ? 2 H 1
   ATOM 40 HA . ALA A 3 ? -1.89216 18.57721 28.49719 1.000 23.16992 H ? A ? 2 HA 1
   ATOM 41 HB1 . ALA A 3 ? -0.87565 16.79752 27.40984 1.000 26.15101 H ? A ? 2 HB1 1
   ATOM 42 HB2 . ALA A 3 ? -1.92621 17.51397 26.45771 1.000 26.15101 H ? A ? 2 HB2 1
   ATOM 43 HB3 . ALA A 3 ? -0.37212 17.78665 26.27336 1.000 26.15101 H ? A ? 2 HB3 1
   ATOM 44 N . LYS A 4 ? 1.12120 19.57070 28.12736 1.000 19.41878 N ? A ? 3 N 1
   ATOM 45 CA . LYS A 4 ? 2.39046 19.80307 28.79964 1.000 18.85984 C ? A ? 3 CA 1
   ATOM 46 C . LYS A 4 ? 2.84612 21.24638 28.61293 1.000 17.85252 C ? A ? 3 C 1
   ATOM 47 O . LYS A 4 ? 2.38697 21.92407 27.68304 1.000 16.44877 O ? A ? 3 O 1
   ATOM 48 CB . LYS A 4 ? 3.48127 18.88733 28.19539 1.000 19.45397 C ? A ? 3 CB 1
   ATOM 49 CG . LYS A 4 ? 3.19341 17.37664 28.24837 1.000 29.43328 C ? A ? 3 CG 1
   ATOM 50 CD . LYS A 4 ? 4.31887 16.53436 27.57890 1.000 47.99548 C ? A ? 3 CD 1
   ATOM 51 CE . LYS A 4 ? 4.01049 15.01498 27.60252 1.000 45.50399 C ? A ? 3 CE 1
   ATOM 52 NZ . LYS A 4 ? 3.67603 14.51933 28.98528 1.000 53.01836 N ? A ? 3 NZ 1
   ATOM 53 H . LYS A 4 ? 1.08990 19.90005 27.33354 1.000 23.27496 H ? A ? 3 H 1
   ATOM 54 HA . LYS A 4 ? 2.27187 19.62687 29.74610 1.000 22.60424 H ? A ? 3 HA 1
   ATOM 55 HB2 . LYS A 4 ? 3.59492 19.12552 27.26198 1.000 23.31720 H ? A ? 3 HB2 1
   ATOM 56 HB3 . LYS A 4 ? 4.30790 19.03938 28.67961 1.000 23.31720 H ? A ? 3 HB3 1
   ATOM 57 HG2 . LYS A 4 ? 3.12053 17.09924 29.17500 1.000 35.29236 H ? A ? 3 HG2 1
   ATOM 58 HG3 . LYS A 4 ? 2.36295 17.19472 27.78131 1.000 35.29236 H ? A ? 3 HG3 1
   ATOM 59 HD2 . LYS A 4 ? 4.41344 16.80834 26.65321 1.000 57.56701 H ? A ? 3 HD2 1
   ATOM 60 HD3 . LYS A 4 ? 5.15139 16.68036 28.05481 1.000 57.56701 H ? A ? 3 HD3 1
   ATOM 61 HE2 . LYS A 4 ? 3.25106 14.83583 27.02627 1.000 54.57721 H ? A ? 3 HE2 1
   ATOM 62 HE3 . LYS A 4 ? 4.78803 14.52794 27.28767 1.000 54.57721 H ? A ? 3 HE3 1
   ATOM 63 HZ1 . LYS A 4 ? 3.53291 13.64109 28.96749 1.000 63.59446 H ? A ? 3 HZ1 1
   ATOM 64 HZ2 . LYS A 4 ? 4.34939 14.69104 29.54134 1.000 63.59446 H ? A ? 3 HZ2 1
   ATOM 65 HZ3 . LYS A 4 ? 2.94305 14.92541 29.28518 1.000 63.59446 H ? A ? 3 HZ3 1
   ATOM 66 N . PRO A 5 ? 3.78917 21.71800 29.38570 1.000 15.50822 N ? A ? 4 N 1
   ATOM 67 CA . PRO A 5 ? 4.32750 23.07418 29.22135 1.000 17.70719 C ? A ? 4 CA 1
   ATOM 68 C . PRO A 5 ? 4.79110 23.31996 27.81130 1.000 13.99336 C ? A ? 4 C 1
   ATOM 69 O . PRO A 5 ? 4.57542 24.44019 27.28677 1.000 14.17556 O ? A ? 4 O 1
   ATOM 70 CB . PRO A 5 ? 5.48953 23.16146 30.23182 1.000 18.04785 C ? A ? 4 CB 1
   ATOM 71 CG . PRO A 5 ? 5.07969 22.09939 31.26732 1.000 22.79336 C ? A ? 4 CG 1
   ATOM 72 CD . PRO A 5 ? 4.33918 21.03970 30.59036 1.000 18.47644 C ? A ? 4 CD 1
   ATOM 73 HA . PRO A 5 ? 3.66147 23.72781 29.48606 1.000 21.22106 H ? A ? 4 HA 1
   ATOM 74 HB2 . PRO A 5 ? 6.33276 22.94147 29.80584 1.000 21.62985 H ? A ? 4 HB2 1
   ATOM 75 HB3 . PRO A 5 ? 5.53749 24.04694 30.62491 1.000 21.62985 H ? A ? 4 HB3 1
   ATOM 76 HG2 . PRO A 5 ? 5.87953 21.73550 31.67810 1.000 27.32446 H ? A ? 4 HG2 1
   ATOM 77 HG3 . PRO A 5 ? 4.52090 22.51663 31.94153 1.000 27.32446 H ? A ? 4 HG3 1
   ATOM 78 HD2 . PRO A 5 ? 4.93035 20.31348 30.33734 1.000 22.14416 H ? A ? 4 HD2 1
   ATOM 79 HD3 . PRO A 5 ? 3.62429 20.70456 31.15385 1.000 22.14416 H ? A ? 4 HD3 1
   ATOM 80 N . GLU A 6 ? 5.47143 22.36868 27.18385 1.000 15.25559 N ? A ? 5 N 1
   ATOM 81 CA . GLU A 6 ? 5.91756 22.55058 25.81976 1.000 13.67285 C ? A ? 5 CA 1
   ATOM 82 C . GLU A 6 ? 4.76364 22.94744 24.87914 1.000 12.44401 C ? A ? 5 C 1
   ATOM 83 O . GLU A 6 ? 4.98055 23.64296 23.86566 1.000 12.82050 O ? A ? 5 O 1
   ATOM 84 CB . GLU A 6 ? 6.57319 21.29856 25.26109 1.000 14.86638 C ? A ? 5 CB 1
   ATOM 85 CG . GLU A 6 ? 7.92956 20.97239 25.92872 1.000 19.58251 C ? A ? 5 CG 1
   ATOM 86 CD . GLU A 6 ? 7.96509 20.24150 27.27098 1.000 19.17102 C ? A ? 5 CD 1
   ATOM 87 OE1 . GLU A 6 ? 6.88636 19.89451 27.94170 1.000 17.00249 O ? A ? 5 OE1 1
   ATOM 88 OE2 . GLU A 6 ? 9.18372 19.86080 27.54116 1.000 18.60781 O ? A ? 5 OE2 1
   ATOM 89 H . GLU A 6 ? 5.68561 21.61051 27.52868 1.000 18.27913 H ? A ? 5 H 1
   ATOM 90 HA . GLU A 6 ? 6.58191 23.25700 25.84237 1.000 16.37985 H ? A ? 5 HA 1
   ATOM 91 HB2 . GLU A 6 ? 5.98099 20.54365 25.40359 1.000 17.81209 H ? A ? 5 HB2 1
   ATOM 92 HB3 . GLU A 6 ? 6.72975 21.42286 24.31192 1.000 17.81209 H ? A ? 5 HB3 1
   ATOM 93 HG2 . GLU A 6 ? 8.42987 20.41920 25.30858 1.000 23.47145 H ? A ? 5 HG2 1
   ATOM 94 HG3 . GLU A 6 ? 8.39093 21.81401 26.06912 1.000 23.47145 H ? A ? 5 HG3 1
   ATOM 95 N . ASP A 7 ? 3.56674 22.41665 25.09237 1.000 13.85862 N ? A ? 6 N 1
   ATOM 96 CA . ASP A 7 ? 2.42581 22.78307 24.24823 1.000 14.44469 C ? A ? 6 CA 1
   ATOM 97 C . ASP A 7 ? 2.04285 24.24102 24.42100 1.000 12.75893 C ? A ? 6 C 1
   ATOM 98 O . ASP A 7 ? 1.69246 24.88827 23.41801 1.000 11.95505 O ? A ? 6 O 1
   ATOM 99 CB . ASP A 7 ? 1.24271 21.88098 24.59565 1.000 15.18523 C ? A ? 6 CB 1
   ATOM 100 CG . ASP A 7 ? 1.57750 20.38001 24.32801 1.000 18.40776 C ? A ? 6 CG 1
   ATOM 101 OD1 . ASP A 7 ? 2.04451 20.07111 23.24752 1.000 19.61111 O ? A ? 6 OD1 1
   ATOM 102 OD2 . ASP A 7 ? 1.35833 19.58208 25.23721 1.000 20.58765 O ? A ? 6 OD2 1
   ATOM 103 H . ASP A 7 ? 3.38439 21.84766 25.71091 1.000 16.60278 H ? A ? 6 H 1
   ATOM 104 HA . ASP A 7 ? 2.66517 22.65246 23.31734 1.000 17.30606 H ? A ? 6 HA 1
   ATOM 105 HB2 . ASP A 7 ? 1.02503 21.98335 25.53535 1.000 18.19471 H ? A ? 6 HB2 1
   ATOM 106 HB3 . ASP A 7 ? 0.47952 22.12659 24.04965 1.000 18.19471 H ? A ? 6 HB3 1
   ATOM 107 N . ALA A 8 ? 2.08939 24.75513 25.61651 1.000 12.34206 N ? A ? 7 N 1
   ATOM 108 CA . ALA A 8 ? 1.84443 26.18190 25.81796 1.000 10.51812 C ? A ? 7 CA 1
   ATOM 109 C . ALA A 8 ? 2.91738 27.04148 25.17019 1.000 10.98212 C ? A ? 7 C 1
   ATOM 110 O . ALA A 8 ? 2.61697 28.08683 24.55317 1.000 10.52084 O ? A ? 7 O 1
   ATOM 111 CB . ALA A 8 ? 1.77224 26.40643 27.30696 1.000 10.94721 C ? A ? 7 CB 1
   ATOM 112 H . ALA A 8 ? 2.25872 24.31531 26.33587 1.000 14.78290 H ? A ? 7 H 1
   ATOM 113 HA . ALA A 8 ? 1.00906 26.45077 25.40472 1.000 12.59418 H ? A ? 7 HA 1
   ATOM 114 HB1 . ALA A 8 ? 1.58133 27.34226 27.47632 1.000 13.10909 H ? A ? 7 HB1 1
   ATOM 115 HB2 . ALA A 8 ? 1.06639 25.85280 27.67596 1.000 13.10909 H ? A ? 7 HB2 1
   ATOM 116 HB3 . ALA A 8 ? 2.62364 26.16535 27.70432 1.000 13.10909 H ? A ? 7 HB3 1
   ATOM 117 N A VAL A 9 ? 4.18361 26.62107 25.25388 0.523 10.97688 N ? A ? 8 N 1
   ATOM 118 CA A VAL A 9 ? 5.26716 27.35765 24.61257 0.523 10.78050 C ? A ? 8 CA 1
   ATOM 119 C A VAL A 9 ? 4.99480 27.43656 23.12561 0.523 10.86494 C ? A ? 8 C 1
   ATOM 120 O A VAL A 9 ? 5.11776 28.49613 22.52887 0.523 11.57168 O ? A ? 8 O 1
   ATOM 121 CB A VAL A 9 ? 6.63428 26.68961 24.91513 0.523 12.68919 C ? A ? 8 CB 1
   ATOM 122 CG1 A VAL A 9 ? 7.70338 27.19081 23.95873 0.523 12.28262 C ? A ? 8 CG1 1
   ATOM 123 CG2 A VAL A 9 ? 7.10443 26.90612 26.36700 0.523 11.61944 C ? A ? 8 CG2 1
   ATOM 124 H A VAL A 9 ? 4.43755 25.91538 25.67473 0.523 13.14469 H ? A ? 8 H 1
   ATOM 125 HA A VAL A 9 ? 5.30314 28.25836 24.97082 0.523 12.90903 H ? A ? 8 HA 1
   ATOM 126 HB A VAL A 9 ? 6.50622 25.73594 24.79257 0.523 15.19946 H ? A ? 8 HB 1
   ATOM 127 HG11 A VAL A 9 ? 8.57717 26.97862 24.32256 0.523 14.71158 H ? A ? 8 HG11 1
   ATOM 128 HG12 A VAL A 9 ? 7.58805 26.75516 23.09977 0.523 14.71158 H ? A ? 8 HG12 1
   ATOM 129 HG13 A VAL A 9 ? 7.61151 28.15113 23.85754 0.523 14.71158 H ? A ? 8 HG13 1
   ATOM 130 HG21 A VAL A 9 ? 7.91870 26.39993 26.51408 0.523 13.91576 H ? A ? 8 HG21 1
   ATOM 131 HG22 A VAL A 9 ? 7.27259 27.85114 26.50689 0.523 13.91576 H ? A ? 8 HG22 1
   ATOM 132 HG23 A VAL A 9 ? 6.41097 26.60037 26.97242 0.523 13.91576 H ? A ? 8 HG23 1
   ATOM 133 N B VAL A 9 ? 4.16746 26.57945 25.19135 0.477 10.93740 N ? A ? 8 N 1
   ATOM 134 CA B VAL A 9 ? 5.23888 27.28475 24.50374 0.477 10.81680 C ? A ? 8 CA 1
   ATOM 135 C B VAL A 9 ? 4.97115 27.25275 22.99530 0.477 10.79169 C ? A ? 8 C 1
   ATOM 136 O B VAL A 9 ? 5.08546 28.25426 22.29512 0.477 11.60945 O ? A ? 8 O 1
   ATOM 137 CB B VAL A 9 ? 6.60784 26.68116 24.89094 0.477 12.69934 C ? A ? 8 CB 1
   ATOM 138 CG1 B VAL A 9 ? 7.67059 27.44206 24.22882 0.477 12.19054 C ? A ? 8 CG1 1
   ATOM 139 CG2 B VAL A 9 ? 6.82058 26.60671 26.42741 0.477 11.79919 C ? A ? 8 CG2 1
   ATOM 140 H B VAL A 9 ? 4.41775 25.86281 25.59555 0.477 13.09731 H ? A ? 8 H 1
   ATOM 141 HA B VAL A 9 ? 5.25909 28.21455 24.77934 0.477 12.95259 H ? A ? 8 HA 1
   ATOM 142 HB B VAL A 9 ? 6.63930 25.76049 24.58718 0.477 15.21163 H ? A ? 8 HB 1
   ATOM 143 HG11 B VAL A 9 ? 8.53095 27.11335 24.53318 0.477 14.60108 H ? A ? 8 HG11 1
   ATOM 144 HG12 B VAL A 9 ? 7.59224 27.32453 23.26916 0.477 14.60108 H ? A ? 8 HG12 1
   ATOM 145 HG13 B VAL A 9 ? 7.57575 28.38030 24.45600 0.477 14.60108 H ? A ? 8 HG13 1
   ATOM 146 HG21 B VAL A 9 ? 7.75095 26.39985 26.60775 0.477 14.13146 H ? A ? 8 HG21 1
   ATOM 147 HG22 B VAL A 9 ? 6.59005 27.46322 26.82001 0.477 14.13146 H ? A ? 8 HG22 1
   ATOM 148 HG23 B VAL A 9 ? 6.25053 25.91163 26.79184 0.477 14.13146 H ? A ? 8 HG23 1
   ATOM 149 N A LYS A 10 ? 4.72498 26.28863 22.51618 0.523 11.18200 N ? A ? 9 N 1
   ATOM 150 CA A LYS A 10 ? 4.48290 26.24084 21.07073 0.523 12.49593 C ? A ? 9 CA 1
   ATOM 151 C A LYS A 10 ? 3.28107 27.08046 20.67933 0.523 11.01338 C ? A ? 9 C 1
   ATOM 152 O A LYS A 10 ? 3.30720 27.73403 19.62452 0.523 11.81179 O ? A ? 9 O 1
   ATOM 153 CB A LYS A 10 ? 4.28237 24.79111 20.63554 0.523 13.66929 C ? A ? 9 CB 1
   ATOM 154 CG A LYS A 10 ? 3.89221 24.50938 19.16132 0.523 16.98979 C ? A ? 9 CG 1
   ATOM 155 CD A LYS A 10 ? 3.98797 22.98979 18.76090 0.523 16.66495 C ? A ? 9 CD 1
   ATOM 156 CE A LYS A 10 ? 3.21611 22.53777 17.53039 0.523 16.81487 C ? A ? 9 CE 1
   ATOM 157 NZ A LYS A 10 ? 3.64790 21.23026 16.94612 0.523 33.54739 N ? A ? 9 NZ 1
   ATOM 158 H A LYS A 10 ? 4.67525 25.52512 22.90883 0.523 13.39083 H ? A ? 9 H 1
   ATOM 159 HA A LYS A 10 ? 5.25754 26.59966 20.61022 0.523 14.96754 H ? A ? 9 HA 1
   ATOM 160 HB2 A LYS A 10 ? 5.11442 24.31894 20.79570 0.523 16.37558 H ? A ? 9 HB2 1
   ATOM 161 HB3 A LYS A 10 ? 3.57652 24.41499 21.18436 0.523 16.37558 H ? A ? 9 HB3 1
   ATOM 162 HG2 A LYS A 10 ? 2.97607 24.79507 19.02003 0.523 20.36018 H ? A ? 9 HG2 1
   ATOM 163 HG3 A LYS A 10 ? 4.48822 25.00646 18.57944 0.523 20.36018 H ? A ? 9 HG3 1
   ATOM 164 HD2 A LYS A 10 ? 4.92130 22.78307 18.59637 0.523 19.97037 H ? A ? 9 HD2 1
   ATOM 165 HD3 A LYS A 10 ? 3.65803 22.46374 19.50609 0.523 19.97037 H ? A ? 9 HD3 1
   ATOM 166 HE2 A LYS A 10 ? 2.28038 22.45114 17.77083 0.523 20.15028 H ? A ? 9 HE2 1
   ATOM 167 HE3 A LYS A 10 ? 3.32021 23.21068 16.83956 0.523 20.15028 H ? A ? 9 HE3 1
   ATOM 168 HZ1 A LYS A 10 ? 3.51853 21.23278 16.06558 0.523 40.22930 H ? A ? 9 HZ1 1
   ATOM 169 HZ2 A LYS A 10 ? 4.51183 21.09377 17.11074 0.523 40.22930 H ? A ? 9 HZ2 1
   ATOM 170 HZ3 A LYS A 10 ? 3.17695 20.56598 17.30535 0.523 40.22930 H ? A ? 9 HZ3 1
   ATOM 171 N B LYS A 10 ? 4.65458 26.09849 22.45638 0.477 11.47646 N ? A ? 9 N 1
   ATOM 172 CA B LYS A 10 ? 4.38537 26.05658 21.02365 0.477 12.61085 C ? A ? 9 CA 1
   ATOM 173 C B LYS A 10 ? 3.27362 27.02977 20.66881 0.477 11.01367 C ? A ? 9 C 1
   ATOM 174 O B LYS A 10 ? 3.37818 27.77997 19.67444 0.477 11.87109 O ? A ? 9 O 1
   ATOM 175 CB B LYS A 10 ? 4.03962 24.63210 20.64085 0.477 13.71762 C ? A ? 9 CB 1
   ATOM 176 CG B LYS A 10 ? 5.23186 23.72351 20.57731 0.477 16.14189 C ? A ? 9 CG 1
   ATOM 177 CD B LYS A 10 ? 4.73264 22.27894 20.45562 0.477 20.81631 C ? A ? 9 CD 1
   ATOM 178 CE B LYS A 10 ? 5.85656 21.27056 20.21623 0.477 23.45250 C ? A ? 9 CE 1
   ATOM 179 NZ B LYS A 10 ? 6.86574 21.31653 21.23879 0.477 22.13914 N ? A ? 9 NZ 1
   ATOM 180 H B LYS A 10 ? 4.58902 25.34940 22.87371 0.477 13.74418 H ? A ? 9 H 1
   ATOM 181 HA B LYS A 10 ? 5.16922 26.31950 20.51635 0.477 15.10545 H ? A ? 9 HA 1
   ATOM 182 HB2 B LYS A 10 ? 3.42580 24.27139 21.29965 0.477 16.43358 H ? A ? 9 HB2 1
   ATOM 183 HB3 B LYS A 10 ? 3.62195 24.63609 19.76539 0.477 16.43358 H ? A ? 9 HB3 1
   ATOM 184 HG2 B LYS A 10 ? 5.77390 23.93889 19.80225 0.477 19.34270 H ? A ? 9 HG2 1
   ATOM 185 HG3 B LYS A 10 ? 5.76024 23.81019 21.38613 0.477 19.34270 H ? A ? 9 HG3 1
   ATOM 186 HD2 B LYS A 10 ? 4.28127 22.03169 21.27783 0.477 24.95201 H ? A ? 9 HD2 1
   ATOM 187 HD3 B LYS A 10 ? 4.11666 22.22077 19.70857 0.477 24.95201 H ? A ? 9 HD3 1
   ATOM 188 HE2 B LYS A 10 ? 5.48230 20.37577 20.20333 0.477 28.11543 H ? A ? 9 HE2 1
   ATOM 189 HE3 B LYS A 10 ? 6.28112 21.46489 19.36600 0.477 28.11543 H ? A ? 9 HE3 1
   ATOM 190 HZ1 B LYS A 10 ? 7.38114 20.59256 21.19057 0.477 26.53940 H ? A ? 9 HZ1 1
   ATOM 191 HZ2 B LYS A 10 ? 7.37329 22.03996 21.13325 0.477 26.53940 H ? A ? 9 HZ2 1
   ATOM 192 HZ3 B LYS A 10 ? 6.48392 21.34628 22.04217 0.477 26.53940 H ? A ? 9 HZ3 1
   ATOM 193 N . TYR A 11 ? 2.18294 27.03224 21.43243 1.000 10.45183 N ? A ? 10 N 1
   ATOM 194 CA . TYR A 11 ? 1.05064 27.90383 21.12157 1.000 9.76325 C ? A ? 10 CA 1
   ATOM 195 C . TYR A 11 ? 1.43923 29.36729 21.21579 1.000 10.03273 C ? A ? 10 C 1
   ATOM 196 O . TYR A 11 ? 1.15037 30.13027 20.26335 1.000 9.79944 O ? A ? 10 O 1
   ATOM 197 CB . TYR A 11 ? -0.06732 27.61725 22.13324 1.000 10.90224 C ? A ? 10 CB 1
   ATOM 198 CG . TYR A 11 ? -1.26980 28.48139 21.95613 1.000 9.25975 C ? A ? 10 CG 1
   ATOM 199 CD1 . TYR A 11 ? -1.28881 29.73309 22.39189 1.000 8.70363 C ? A ? 10 CD1 1
   ATOM 200 CD2 . TYR A 11 ? -2.38253 28.01853 21.30179 1.000 9.67389 C ? A ? 10 CD2 1
   ATOM 201 CE1 . TYR A 11 ? -2.38470 30.55547 22.23644 1.000 8.95930 C ? A ? 10 CE1 1
   ATOM 202 CE2 . TYR A 11 ? -3.50516 28.80793 21.09396 1.000 9.73431 C ? A ? 10 CE2 1
   ATOM 203 CZ . TYR A 11 ? -3.49412 30.07376 21.57778 1.000 10.00926 C ? A ? 10 CZ 1
   ATOM 204 OH . TYR A 11 ? -4.57656 30.90510 21.40309 1.000 11.74494 O ? A ? 10 OH 1
   ATOM 205 HA . TYR A 11 ? 0.74646 27.72419 20.21818 1.000 11.68833 H ? A ? 10 HA 1
   ATOM 206 HB2 . TYR A 11 ? -0.34840 26.69409 22.03494 1.000 13.05512 H ? A ? 10 HB2 1
   ATOM 207 HB3 . TYR A 11 ? 0.27568 27.76611 23.02827 1.000 13.05512 H ? A ? 10 HB3 1
   ATOM 208 HD1 . TYR A 11 ? -0.53418 30.06952 22.81879 1.000 10.41678 H ? A ? 10 HD1 1
   ATOM 209 HD2 . TYR A 11 ? -2.38508 27.14387 20.98578 1.000 11.58110 H ? A ? 10 HD2 1
   ATOM 210 HE1 . TYR A 11 ? -2.37479 31.42293 22.57157 1.000 10.72359 H ? A ? 10 HE1 1
   ATOM 211 HE2 . TYR A 11 ? -4.24391 28.47755 20.63572 1.000 11.65360 H ? A ? 10 HE2 1
   ATOM 212 HH . TYR A 11 ? -4.39811 31.67357 21.69155 1.000 14.06636 H ? A ? 10 HH 1
   ATOM 213 H A TYR A 11 ? 2.07002 26.51724 22.11186 0.523 12.51462 H ? A ? 10 H 1
   ATOM 214 H B TYR A 11 ? 2.07263 26.54313 22.13114 0.477 12.51462 H ? A ? 10 H 1
   ATOM 215 N . ARG A 12 ? 2.10914 29.81302 22.26852 1.000 9.85439 N ? A ? 11 N 1
   ATOM 216 CA . ARG A 12 ? 2.34148 31.22330 22.36192 1.000 9.53356 C ? A ? 11 CA 1
   ATOM 217 C . ARG A 12 ? 3.32586 31.68366 21.30741 1.000 10.31754 C ? A ? 11 C 1
   ATOM 218 O . ARG A 12 ? 3.20531 32.80532 20.76459 1.000 10.08374 O ? A ? 11 O 1
   ATOM 219 CB . ARG A 12 ? 2.82890 31.68893 23.75796 1.000 10.48246 C ? A ? 11 CB 1
   ATOM 220 CG . ARG A 12 ? 4.17724 31.15710 24.25092 1.000 9.31511 C ? A ? 11 CG 1
   ATOM 221 CD . ARG A 12 ? 4.16524 31.01663 25.74234 1.000 9.67127 C ? A ? 11 CD 1
   ATOM 222 NE . ARG A 12 ? 5.49712 30.69848 26.28842 1.000 10.60021 N ? A ? 11 NE 1
   ATOM 223 CZ . ARG A 12 ? 5.70627 30.14419 27.48515 1.000 10.82572 C ? A ? 11 CZ 1
   ATOM 224 NH1 . ARG A 12 ? 4.69334 29.72869 28.17255 1.000 11.23464 N ? A ? 11 NH1 1
   ATOM 225 NH2 . ARG A 12 ? 6.97926 29.97496 27.86984 1.000 13.06751 N ? A ? 11 NH2 1
   ATOM 226 H . ARG A 12 ? 2.42220 29.33267 22.90950 1.000 11.79770 H ? A ? 11 H 1
   ATOM 227 HA . ARG A 12 ? 1.47745 31.64257 22.22568 1.000 11.41270 H ? A ? 11 HA 1
   ATOM 228 HB2 . ARG A 12 ? 2.89911 32.65623 23.74060 1.000 12.55138 H ? A ? 11 HB2 1
   ATOM 229 HB3 . ARG A 12 ? 2.16506 31.41614 24.41050 1.000 12.55138 H ? A ? 11 HB3 1
   ATOM 230 HG2 . ARG A 12 ? 4.34739 30.28637 23.85879 1.000 11.15056 H ? A ? 11 HG2 1
   ATOM 231 HG3 . ARG A 12 ? 4.88203 31.77588 24.00338 1.000 11.15056 H ? A ? 11 HG3 1
   ATOM 232 HD2 . ARG A 12 ? 3.86943 31.85164 26.13750 1.000 11.57795 H ? A ? 11 HD2 1
   ATOM 233 HD3 . ARG A 12 ? 3.55973 30.30006 25.98887 1.000 11.57795 H ? A ? 11 HD3 1
   ATOM 234 HE . ARG A 12 ? 6.18416 30.88181 25.80473 1.000 12.69268 H ? A ? 11 HE 1
   ATOM 235 HH11 . ARG A 12 ? 3.89724 29.81095 27.85782 1.000 13.45400 H ? A ? 11 HH11 1
   ATOM 236 HH12 . ARG A 12 ? 4.81559 29.37003 28.94456 1.000 13.45400 H ? A ? 11 HH12 1
   ATOM 237 HH21 . ARG A 12 ? 7.62102 30.22003 27.35246 1.000 15.65344 H ? A ? 11 HH21 1
   ATOM 238 HH22 . ARG A 12 ? 7.15415 29.62132 28.63401 1.000 15.65344 H ? A ? 11 HH22 1
   ATOM 239 N . GLN A 13 ? 4.31464 30.86756 20.98875 1.000 10.48634 N ? A ? 12 N 1
   ATOM 240 CA . GLN A 13 ? 5.23840 31.16084 19.90629 1.000 10.54325 C ? A ? 12 CA 1
   ATOM 241 C . GLN A 13 ? 4.51241 31.37010 18.59611 1.000 10.35735 C ? A ? 12 C 1
   ATOM 242 O . GLN A 13 ? 4.84734 32.31194 17.81938 1.000 10.66598 O ? A ? 12 O 1
   ATOM 243 CB . GLN A 13 ? 6.36941 30.17048 19.80596 1.000 12.13663 C ? A ? 12 CB 1
   ATOM 244 CG . GLN A 13 ? 7.29123 30.28387 21.00933 1.000 11.99811 C ? A ? 12 CG 1
   ATOM 245 CD . GLN A 13 ? 8.49631 29.31367 20.95247 1.000 14.37890 C ? A ? 12 CD 1
   ATOM 246 OE1 . GLN A 13 ? 8.53982 28.40151 20.18689 1.000 15.99835 O ? A ? 12 OE1 1
   ATOM 247 NE2 . GLN A 13 ? 9.46525 29.54418 21.85779 1.000 13.19393 N ? A ? 12 NE2 1
   ATOM 248 H . GLN A 13 ? 4.47737 30.12406 21.38915 1.000 12.55604 H ? A ? 12 H 1
   ATOM 249 HA . GLN A 13 ? 5.67848 31.99703 20.12542 1.000 12.62433 H ? A ? 12 HA 1
   ATOM 250 HB2 . GLN A 13 ? 6.00948 29.27022 19.77614 1.000 14.53639 H ? A ? 12 HB2 1
   ATOM 251 HB3 . GLN A 13 ? 6.88503 30.34836 19.00385 1.000 14.53639 H ? A ? 12 HB3 1
   ATOM 252 HG2 . GLN A 13 ? 7.63926 31.18818 21.05396 1.000 14.37016 H ? A ? 12 HG2 1
   ATOM 253 HG3 . GLN A 13 ? 6.78533 30.08308 21.81223 1.000 14.37016 H ? A ? 12 HG3 1
   ATOM 254 HE21 . GLN A 13 ? 9.38738 30.19482 22.41475 1.000 15.80515 H ? A ? 12 HE21 1
   ATOM 255 HE22 . GLN A 13 ? 10.16222 29.04083 21.87928 1.000 15.80515 H ? A ? 12 HE22 1
   ATOM 256 N . SER A 14 ? 3.62823 30.47135 18.26990 1.000 9.91759 N ? A ? 13 N 1
   ATOM 257 CA . SER A 14 ? 2.84090 30.61579 17.07162 1.000 10.34272 C ? A ? 13 CA 1
   ATOM 258 C . SER A 14 ? 1.96620 31.82306 17.10172 1.000 10.79690 C ? A ? 13 C 1
   ATOM 259 O . SER A 14 ? 1.84355 32.51156 16.06086 1.000 10.37097 O ? A ? 13 O 1
   ATOM 260 CB . SER A 14 ? 1.99674 29.39432 16.84519 1.000 12.64331 C ? A ? 13 CB 1
   ATOM 261 OG . SER A 14 ? 2.73954 28.29136 16.53071 1.000 19.66414 O ? A ? 13 OG 1
   ATOM 262 H . SER A 14 ? 3.45866 29.76110 18.72420 1.000 11.87354 H ? A ? 13 H 1
   ATOM 263 HA . SER A 14 ? 3.46196 30.71292 16.33286 1.000 12.38369 H ? A ? 13 HA 1
   ATOM 264 HB2 . SER A 14 ? 1.49820 29.20931 17.65643 1.000 15.14440 H ? A ? 13 HB2 1
   ATOM 265 HB3 . SER A 14 ? 1.38542 29.57324 16.11363 1.000 15.14440 H ? A ? 13 HB3 1
   ATOM 266 HG . SER A 14 ? 2.88022 27.83344 17.22072 1.000 23.56940 H ? A ? 13 HG 1
   ATOM 267 N A ALA A 15 ? 1.33739 32.11168 18.24243 0.000 10.35078 N ? A ? 14 N 1
   ATOM 268 CA A ALA A 15 ? 0.44184 33.26669 18.30366 0.000 10.06317 C ? A ? 14 CA 1
   ATOM 269 C A ALA A 15 ? 1.21179 34.57352 18.15671 0.000 9.31707 C ? A ? 14 C 1
   ATOM 270 O A ALA A 15 ? 0.71652 35.53182 17.54963 0.000 10.68830 O ? A ? 14 O 1
   ATOM 271 CB A ALA A 15 ? -0.32802 33.25272 19.62380 0.000 10.73992 C ? A ? 14 CB 1
   ATOM 272 H A ALA A 15 ? 1.40970 31.66734 18.97519 0.000 12.39336 H ? A ? 14 H 1
   ATOM 273 HA A ALA A 15 ? -0.19497 33.20829 17.57431 0.000 12.04824 H ? A ? 14 HA 1
   ATOM 274 HB1 A ALA A 15 ? -0.89766 34.03672 19.66549 0.000 12.86034 H ? A ? 14 HB1 1
   ATOM 275 HB2 A ALA A 15 ? -0.86864 32.44843 19.66561 0.000 12.86034 H ? A ? 14 HB2 1
   ATOM 276 HB3 A ALA A 15 ? 0.30501 33.26434 20.35868 0.000 12.86034 H ? A ? 14 HB3 1
   ATOM 277 N B ALA A 15 ? 1.28622 32.10673 18.21094 1.000 10.17048 N ? A ? 14 N 1
   ATOM 278 CA B ALA A 15 ? 0.45018 33.33213 18.31406 1.000 9.86368 C ? A ? 14 CA 1
   ATOM 279 C B ALA A 15 ? 1.24035 34.56751 18.10491 1.000 9.09455 C ? A ? 14 C 1
   ATOM 280 O B ALA A 15 ? 0.84188 35.48459 17.37363 1.000 10.59616 O ? A ? 14 O 1
   ATOM 281 CB B ALA A 15 ? -0.22574 33.34395 19.68495 1.000 10.73760 C ? A ? 14 CB 1
   ATOM 282 H B ALA A 15 ? 1.28279 31.61935 18.91949 1.000 12.17701 H ? A ? 14 H 1
   ATOM 283 HA B ALA A 15 ? -0.22921 33.31639 17.62191 1.000 11.80885 H ? A ? 14 HA 1
   ATOM 284 HB1 B ALA A 15 ? -0.78443 34.13382 19.75479 1.000 12.85755 H ? A ? 14 HB1 1
   ATOM 285 HB2 B ALA A 15 ? -0.76890 32.54548 19.77614 1.000 12.85755 H ? A ? 14 HB2 1
   ATOM 286 HB3 B ALA A 15 ? 0.45717 33.35989 20.37363 1.000 12.85755 H ? A ? 14 HB3 1
   ATOM 287 N . LEU A 16 ? 2.42230 34.62434 18.71160 1.000 9.01060 N ? A ? 15 N 1
   ATOM 288 CA . LEU A 16 ? 3.22340 35.79118 18.62915 1.000 9.75343 C ? A ? 15 CA 1
   ATOM 289 C . LEU A 16 ? 3.77122 35.92693 17.19231 1.000 11.00621 C ? A ? 15 C 1
   ATOM 290 O . LEU A 16 ? 3.93617 37.03801 16.72026 1.000 11.53199 O ? A ? 15 O 1
   ATOM 291 CB . LEU A 16 ? 4.30110 35.69516 19.69854 1.000 9.87029 C ? A ? 15 CB 1
   ATOM 292 CG . LEU A 16 ? 3.74968 35.88924 21.12337 1.000 10.69136 C ? A ? 15 CG 1
   ATOM 293 CD1 . LEU A 16 ? 4.82993 35.36522 22.16308 1.000 10.73837 C ? A ? 15 CD1 1
   ATOM 294 CD2 . LEU A 16 ? 3.55602 37.34217 21.41447 1.000 10.68329 C ? A ? 15 CD2 1
   ATOM 295 HA . LEU A 16 ? 2.72798 36.60481 18.81207 1.000 11.67655 H ? A ? 15 HA 1
   ATOM 296 HB2 . LEU A 16 ? 4.71270 34.81803 19.65250 1.000 11.81678 H ? A ? 15 HB2 1
   ATOM 297 HB3 . LEU A 16 ? 4.96622 36.38261 19.53749 1.000 11.81678 H ? A ? 15 HB3 1
   ATOM 298 HG . LEU A 16 ? 2.90777 35.41395 21.20196 1.000 12.80206 H ? A ? 15 HG 1
   ATOM 299 HD11 . LEU A 16 ? 4.72132 35.84402 22.99965 1.000 12.85847 H ? A ? 15 HD11 1
   ATOM 300 HD12 . LEU A 16 ? 4.69593 34.41519 22.30589 1.000 12.85847 H ? A ? 15 HD12 1
   ATOM 301 HD13 . LEU A 16 ? 5.71690 35.52386 21.80390 1.000 12.85847 H ? A ? 15 HD13 1
   ATOM 302 HD21 . LEU A 16 ? 3.21639 37.44075 22.31771 1.000 12.79238 H ? A ? 15 HD21 1
   ATOM 303 HD22 . LEU A 16 ? 4.40833 37.79751 21.33002 1.000 12.79238 H ? A ? 15 HD22 1
   ATOM 304 HD23 . LEU A 16 ? 2.92056 37.70936 20.78023 1.000 12.79238 H ? A ? 15 HD23 1
   ATOM 305 H A LEU A 16 ? 2.78918 33.97697 19.14278 0.000 10.78515 H ? A ? 15 H 1
   ATOM 306 H B LEU A 16 ? 2.76780 33.98746 19.17486 1.000 10.78515 H ? A ? 15 H 1
   ATOM 307 N . THR A 17 ? 4.16615 34.84583 16.57342 1.000 10.24641 N ? A ? 16 N 1
   ATOM 308 CA . THR A 17 ? 4.60175 34.86644 15.18787 1.000 10.46493 C ? A ? 16 CA 1
   ATOM 309 C . THR A 17 ? 3.48571 35.47600 14.28844 1.000 10.13506 C ? A ? 16 C 1
   ATOM 310 O . THR A 17 ? 3.75232 36.32078 13.40262 1.000 12.09175 O ? A ? 16 O 1
   ATOM 311 CB . THR A 17 ? 4.96795 33.44089 14.71322 1.000 11.01281 C ? A ? 16 CB 1
   ATOM 312 OG1 . THR A 17 ? 6.14779 32.99545 15.34849 1.000 12.60633 O ? A ? 16 OG1 1
   ATOM 313 CG2 . THR A 17 ? 5.26158 33.40052 13.17973 1.000 11.66655 C ? A ? 16 CG2 1
   ATOM 314 H . THR A 17 ? 4.19565 34.06509 16.93283 1.000 12.26812 H ? A ? 16 H 1
   ATOM 315 HA . THR A 17 ? 5.40116 35.41066 15.11250 1.000 12.53035 H ? A ? 16 HA 1
   ATOM 316 HB . THR A 17 ? 4.21375 32.86861 14.92436 1.000 13.18781 H ? A ? 16 HB 1
   ATOM 317 HG1 . THR A 17 ? 6.09983 33.13663 16.17515 1.000 15.10003 H ? A ? 16 HG1 1
   ATOM 318 HG21 . THR A 17 ? 5.71038 32.57196 12.94957 1.000 13.97229 H ? A ? 16 HG21 1
   ATOM 319 HG22 . THR A 17 ? 4.43138 33.45781 12.68135 1.000 13.97229 H ? A ? 16 HG22 1
   ATOM 320 HG23 . THR A 17 ? 5.83011 34.14607 12.93106 1.000 13.97229 H ? A ? 16 HG23 1
   ATOM 321 N A LEU A 18 ? 2.25251 35.00577 14.40518 0.478 9.71517 N ? A ? 17 N 1
   ATOM 322 CA A LEU A 18 ? 1.17316 35.58044 13.59746 0.478 10.90009 C ? A ? 17 CA 1
   ATOM 323 C A LEU A 18 ? 1.02338 37.04881 13.93729 0.478 10.41245 C ? A ? 17 C 1
   ATOM 324 O A LEU A 18 ? 0.98072 37.97717 13.04948 0.478 10.29571 O ? A ? 17 O 1
   ATOM 325 CB A LEU A 18 ? -0.05908 34.67736 13.82983 0.478 11.84106 C ? A ? 17 CB 1
   ATOM 326 CG A LEU A 18 ? -0.36273 33.34873 13.12148 0.478 15.24700 C ? A ? 17 CG 1
   ATOM 327 CD1 A LEU A 18 ? -1.88998 33.34968 12.68097 0.478 13.13688 C ? A ? 17 CD1 1
   ATOM 328 CD2 A LEU A 18 ? 0.50021 33.13848 11.80184 0.478 10.06981 C ? A ? 17 CD2 1
   ATOM 329 H A LEU A 18 ? 2.01300 34.36891 14.93116 0.478 11.63063 H ? A ? 17 H 1
   ATOM 330 HA A LEU A 18 ? 1.32787 35.58019 12.63987 0.478 13.05254 H ? A ? 17 HA 1
   ATOM 331 HB2 A LEU A 18 ? -0.04077 34.44901 14.77239 0.478 14.18170 H ? A ? 17 HB2 1
   ATOM 332 HB3 A LEU A 18 ? -0.82998 35.23404 13.63825 0.478 14.18170 H ? A ? 17 HB3 1
   ATOM 333 HG A LEU A 18 ? -0.15165 32.63212 13.74021 0.478 18.26883 H ? A ? 17 HG 1
   ATOM 334 HD11 A LEU A 18 ? -2.09498 32.50502 12.25035 0.478 15.73668 H ? A ? 17 HD11 1
   ATOM 335 HD12 A LEU A 18 ? -2.44558 33.46317 13.46795 0.478 15.73668 H ? A ? 17 HD12 1
   ATOM 336 HD13 A LEU A 18 ? -2.03969 34.08141 12.06205 0.478 15.73668 H ? A ? 17 HD13 1
   ATOM 337 HD21 A LEU A 18 ? 0.23630 32.30515 11.38136 0.478 12.05620 H ? A ? 17 HD21 1
   ATOM 338 HD22 A LEU A 18 ? 0.33857 33.87969 11.19738 0.478 12.05620 H ? A ? 17 HD22 1
   ATOM 339 HD23 A LEU A 18 ? 1.43973 33.10538 12.04082 0.478 12.05620 H ? A ? 17 HD23 1
   ATOM 340 N B LEU A 18 ? 2.25243 35.02363 14.45138 0.522 9.76050 N ? A ? 17 N 1
   ATOM 341 CA B LEU A 18 ? 1.13844 35.49451 13.62911 0.522 10.92148 C ? A ? 17 CA 1
   ATOM 342 C B LEU A 18 ? 0.82128 36.91004 13.90481 0.522 10.31006 C ? A ? 17 C 1
   ATOM 343 O B LEU A 18 ? 0.42843 37.64616 12.95935 0.522 9.78749 O ? A ? 17 O 1
   ATOM 344 CB B LEU A 18 ? -0.11402 34.71123 13.90261 0.522 11.89051 C ? A ? 17 CB 1
   ATOM 345 CG B LEU A 18 ? -0.05405 33.31718 13.63978 0.522 12.01767 C ? A ? 17 CG 1
   ATOM 346 CD1 B LEU A 18 ? -1.23383 32.57844 14.03460 0.522 13.35346 C ? A ? 17 CD1 1
   ATOM 347 CD2 B LEU A 18 ? -0.10340 33.16232 11.99554 0.522 10.48885 C ? A ? 17 CD2 1
   ATOM 348 H B LEU A 18 ? 2.02483 34.43627 15.03687 0.522 11.68502 H ? A ? 17 H 1
   ATOM 349 HA B LEU A 18 ? 1.40947 35.37326 12.70567 0.522 13.07821 H ? A ? 17 HA 1
   ATOM 350 HB2 B LEU A 18 ? -0.33593 34.81597 14.84106 0.522 14.24104 H ? A ? 17 HB2 1
   ATOM 351 HB3 B LEU A 18 ? -0.82382 35.07588 13.35115 0.522 14.24104 H ? A ? 17 HB3 1
   ATOM 352 HG B LEU A 18 ? 0.72409 32.97758 14.10889 0.522 14.39363 H ? A ? 17 HG 1
   ATOM 353 HD11 B LEU A 18 ? -1.11552 31.64499 13.79885 0.522 15.99658 H ? A ? 17 HD11 1
   ATOM 354 HD12 B LEU A 18 ? -1.35441 32.66479 14.99319 0.522 15.99658 H ? A ? 17 HD12 1
   ATOM 355 HD13 B LEU A 18 ? -2.00406 32.94182 13.57026 0.522 15.99658 H ? A ? 17 HD13 1
   ATOM 356 HD21 B LEU A 18 ? -0.11622 32.21963 11.76737 0.522 12.55905 H ? A ? 17 HD21 1
   ATOM 357 HD22 B LEU A 18 ? -0.90505 33.59442 11.66156 0.522 12.55905 H ? A ? 17 HD22 1
   ATOM 358 HD23 B LEU A 18 ? 0.68279 33.58412 11.61487 0.522 12.55905 H ? A ? 17 HD23 1
   ATOM 359 N . MET A 19 ? 0.86652 37.32457 15.20803 1.000 12.26414 N ? A ? 18 N 1
   ATOM 360 CA . MET A 19 ? 0.68362 38.73020 15.57697 1.000 13.33978 C ? A ? 18 CA 1
   ATOM 361 C . MET A 19 ? 1.75255 39.60484 15.02396 1.000 14.60299 C ? A ? 18 C 1
   ATOM 362 O . MET A 19 ? 1.43952 40.65964 14.40736 1.000 15.46074 O ? A ? 18 O 1
   ATOM 363 CB . MET A 19 ? 0.93715 38.85106 17.06921 1.000 16.49305 C ? A ? 18 CB 1
   ATOM 364 CG . MET A 19 ? 0.08951 39.50426 17.90636 1.000 13.58174 C ? A ? 18 CG 1
   ATOM 365 SD . MET A 19 ? 0.41515 39.15602 19.57594 1.000 16.38294 S ? A ? 18 SD 1
   ATOM 366 CE . MET A 19 ? 1.63620 40.38254 19.92553 1.000 18.39794 C ? A ? 18 CE 1
   ATOM 367 HA . MET A 19 ? -0.20416 38.98328 15.27914 1.000 15.98017 H ? A ? 18 HA 1
   ATOM 368 HB2 . MET A 19 ? 0.99309 37.94633 17.41451 1.000 19.76409 H ? A ? 18 HB2 1
   ATOM 369 HB3 . MET A 19 ? 1.79232 39.29781 17.16926 1.000 19.76409 H ? A ? 18 HB3 1
   ATOM 370 HG2 . MET A 19 ? 0.18500 40.46030 17.77306 1.000 16.27051 H ? A ? 18 HG2 1
   ATOM 371 HG3 . MET A 19 ? -0.82110 39.23165 17.71302 1.000 16.27051 H ? A ? 18 HG3 1
   ATOM 372 HE1 . MET A 19 ? 1.77725 40.42344 20.88434 1.000 22.04996 H ? A ? 18 HE1 1
   ATOM 373 HE2 . MET A 19 ? 2.46307 40.14109 19.47955 1.000 22.04996 H ? A ? 18 HE2 1
   ATOM 374 HE3 . MET A 19 ? 1.32347 41.24120 19.60026 1.000 22.04996 H ? A ? 18 HE3 1
   ATOM 375 H A MET A 19 ? 0.86029 36.75607 15.85330 0.478 14.68940 H ? A ? 18 H 1
   ATOM 376 H B MET A 19 ? 1.00132 36.80418 15.87931 0.522 14.68940 H ? A ? 18 H 1
   ATOM 377 N . ALA A 20 ? 2.97288 39.17244 14.96058 1.000 13.19905 N ? A ? 19 N 1
   ATOM 378 CA . ALA A 20 ? 4.03940 39.90480 14.43605 1.000 15.30772 C ? A ? 19 CA 1
   ATOM 379 C . ALA A 20 ? 3.83875 40.10642 12.92597 1.000 14.71056 C ? A ? 19 C 1
   ATOM 380 O . ALA A 20 ? 4.21168 41.16528 12.41300 1.000 14.83054 O ? A ? 19 O 1
   ATOM 381 CB . ALA A 20 ? 5.38853 39.19824 14.66737 1.000 17.82011 C ? A ? 19 CB 1
   ATOM 382 H . ALA A 20 ? 3.21604 38.39614 15.23957 1.000 15.81129 H ? A ? 19 H 1
   ATOM 383 HA . ALA A 20 ? 4.07284 40.75743 14.89736 1.000 18.34169 H ? A ? 19 HA 1
   ATOM 384 HB1 . ALA A 20 ? 6.09855 39.74295 14.29313 1.000 21.35657 H ? A ? 19 HB1 1
   ATOM 385 HB2 . ALA A 20 ? 5.52622 39.08479 15.62083 1.000 21.35657 H ? A ? 19 HB2 1
   ATOM 386 HB3 . ALA A 20 ? 5.37058 38.33241 14.23043 1.000 21.35657 H ? A ? 19 HB3 1
   ATOM 387 N A SER A 21 ? 3.44946 39.03984 12.17786 0.981 12.26481 N ? A ? 20 N 1
   ATOM 388 CA A SER A 21 ? 3.21594 39.19018 10.73877 0.981 11.26327 C ? A ? 20 CA 1
   ATOM 389 C A SER A 21 ? 2.11325 40.23264 10.43715 0.981 12.38933 C ? A ? 20 C 1
   ATOM 390 O A SER A 21 ? 2.19975 41.08563 9.53137 0.981 12.08474 O ? A ? 20 O 1
   ATOM 391 CB A SER A 21 ? 2.92719 37.81071 10.16088 0.981 11.27432 C ? A ? 20 CB 1
   ATOM 392 OG A SER A 21 ? 2.60550 37.98468 8.77568 0.981 11.38251 O ? A ? 20 OG 1
   ATOM 393 H A SER A 21 ? 3.32027 38.24561 12.48134 0.981 14.69020 H ? A ? 20 H 1
   ATOM 394 HA A SER A 21 ? 4.00669 39.53429 10.29470 0.981 13.48836 H ? A ? 20 HA 1
   ATOM 395 HB2 A SER A 21 ? 3.71119 37.24629 10.24849 0.981 13.50161 H ? A ? 20 HB2 1
   ATOM 396 HB3 A SER A 21 ? 2.17607 37.40967 10.62552 0.981 13.50161 H ? A ? 20 HB3 1
   ATOM 397 HG A SER A 21 ? 2.80480 38.76283 8.52999 0.981 13.63145 H ? A ? 20 HG 1
   ATOM 398 N B SER A 21 ? 3.41759 39.06633 12.21512 0.019 12.36418 N ? A ? 20 N 1
   ATOM 399 CA B SER A 21 ? 3.30469 39.16530 10.76205 0.019 11.49698 C ? A ? 20 CA 1
   ATOM 400 C B SER A 21 ? 2.21929 40.15450 10.37424 0.019 12.26664 C ? A ? 20 C 1
   ATOM 401 O B SER A 21 ? 2.36695 40.89175 9.39368 0.019 12.09496 O ? A ? 20 O 1
   ATOM 402 CB B SER A 21 ? 3.01418 37.78220 10.17686 0.019 11.26301 C ? A ? 20 CB 1
   ATOM 403 OG B SER A 21 ? 2.73223 37.86417 8.79136 0.019 11.48267 O ? A ? 20 OG 1
   ATOM 404 H B SER A 21 ? 3.19391 38.30306 12.54219 0.019 14.80945 H ? A ? 20 H 1
   ATOM 405 HA B SER A 21 ? 4.14416 39.47871 10.39062 0.019 13.76880 H ? A ? 20 HA 1
   ATOM 406 HB2 B SER A 21 ? 3.79081 37.21583 10.30710 0.019 13.48804 H ? A ? 20 HB2 1
   ATOM 407 HB3 B SER A 21 ? 2.24655 37.40255 10.63240 0.019 13.48804 H ? A ? 20 HB3 1
   ATOM 408 HG B SER A 21 ? 2.50610 37.10983 8.49907 0.019 13.75164 H ? A ? 20 HG 1
   ATOM 409 N A HIS A 22 ? 1.04313 40.20352 11.19176 0.981 11.19382 N ? A ? 21 N 1
   ATOM 410 CA A HIS A 22 ? -0.07626 41.10586 10.95423 0.981 11.36938 C ? A ? 21 CA 1
   ATOM 411 C A HIS A 22 ? 0.22787 42.52765 11.39087 0.981 12.62772 C ? A ? 21 C 1
   ATOM 412 O A HIS A 22 ? -0.30905 43.46288 10.76369 0.981 12.25142 O ? A ? 21 O 1
   ATOM 413 CB A HIS A 22 ? -1.39487 40.55804 11.55410 0.981 11.96507 C ? A ? 21 CB 1
   ATOM 414 CG A HIS A 22 ? -1.95955 39.44049 10.78345 0.981 11.53642 C ? A ? 21 CG 1
   ATOM 415 ND1 A HIS A 22 ? -2.73243 39.72449 9.67079 0.981 10.52958 N ? A ? 21 ND1 1
   ATOM 416 CD2 A HIS A 22 ? -1.70084 38.12886 10.76210 0.981 11.32564 C ? A ? 21 CD2 1
   ATOM 417 CE1 A HIS A 22 ? -2.97601 38.57532 9.07674 0.981 11.10307 C ? A ? 21 CE1 1
   ATOM 418 NE2 A HIS A 22 ? -2.38843 37.58732 9.73384 0.981 11.38530 N ? A ? 21 NE2 1
   ATOM 419 H A HIS A 22 ? 0.92933 39.66965 11.85631 0.981 13.40501 H ? A ? 21 H 1
   ATOM 420 HA A HIS A 22 ? -0.24627 41.14480 10.00004 0.981 13.61568 H ? A ? 21 HA 1
   ATOM 421 HB2 A HIS A 22 ? -1.22313 40.24285 12.45524 0.981 14.33051 H ? A ? 21 HB2 1
   ATOM 422 HB3 A HIS A 22 ? -2.05226 41.27108 11.57168 0.981 14.33051 H ? A ? 21 HB3 1
   ATOM 423 HD2 A HIS A 22 ? -1.14572 37.67073 11.35105 0.981 13.56320 H ? A ? 21 HD2 1
   ATOM 424 HE1 A HIS A 22 ? -3.48707 38.47226 8.30661 0.981 13.29612 H ? A ? 21 HE1 1
   ATOM 425 HE2 A HIS A 22 ? -2.43615 36.75071 9.54043 0.981 13.63479 H ? A ? 21 HE2 1
   ATOM 426 N B HIS A 22 ? 1.12852 40.19856 11.13866 0.019 11.31146 N ? A ? 21 N 1
   ATOM 427 CA B HIS A 22 ? 0.05049 41.13239 10.84568 0.019 11.40193 C ? A ? 21 CA 1
   ATOM 428 C B HIS A 22 ? 0.39593 42.56608 11.24092 0.019 12.21457 C ? A ? 21 C 1
   ATOM 429 O B HIS A 22 ? -0.02994 43.50365 10.57011 0.019 11.90130 O ? A ? 21 O 1
   ATOM 430 CB B HIS A 22 ? -1.23817 40.66605 11.52521 0.019 11.81835 C ? A ? 21 CB 1
   ATOM 431 CG B HIS A 22 ? -1.89167 39.50210 10.84390 0.019 11.49591 C ? A ? 21 CG 1
   ATOM 432 ND1 B HIS A 22 ? -2.93222 39.65251 9.95249 0.019 11.30054 N ? A ? 21 ND1 1
   ATOM 433 CD2 B HIS A 22 ? -1.64892 38.17083 10.91531 0.019 11.34706 C ? A ? 21 CD2 1
   ATOM 434 CE1 B HIS A 22 ? -3.30289 38.46542 9.50572 0.019 11.59708 C ? A ? 21 CE1 1
   ATOM 435 NE2 B HIS A 22 ? -2.54233 37.54983 10.07725 0.019 11.44443 N ? A ? 21 NE2 1
   ATOM 436 H B HIS A 22 ? 0.99150 39.70130 11.82682 0.019 13.54618 H ? A ? 21 H 1
   ATOM 437 HA B HIS A 22 ? -0.11061 41.13875 9.88917 0.019 13.65475 H ? A ? 21 HA 1
   ATOM 438 HB2 B HIS A 22 ? -1.03242 40.39948 12.43489 0.019 14.15445 H ? A ? 21 HB2 1
   ATOM 439 HB3 B HIS A 22 ? -1.87183 41.40045 11.52998 0.019 14.15445 H ? A ? 21 HB3 1
   ATOM 440 HD2 B HIS A 22 ? -0.99889 37.75539 11.43470 0.019 13.58890 H ? A ? 21 HD2 1
   ATOM 441 HE1 B HIS A 22 ? -3.98345 38.30261 8.89316 0.019 13.88892 H ? A ? 21 HE1 1
   ATOM 442 HE2 B HIS A 22 ? -2.59749 36.70170 9.94595 0.019 13.70574 H ? A ? 21 HE2 1
   ATOM 443 N . PHE A 23 ? 1.17713 42.74399 12.31246 1.000 11.64361 N ? A ? 22 N 1
   ATOM 444 CA . PHE A 23 ? 1.62946 44.05989 12.67636 1.000 11.44263 C ? A ? 22 CA 1
   ATOM 445 C . PHE A 23 ? 2.65619 44.53875 11.66345 1.000 10.80163 C ? A ? 22 C 1
   ATOM 446 O . PHE A 23 ? 2.42803 45.56438 10.97337 1.000 11.68642 O ? A ? 22 O 1
   ATOM 447 HA . PHE A 23 ? 0.85687 44.64583 12.70242 1.000 13.70358 H ? A ? 22 HA 1
   ATOM 448 CB A PHE A 23 ? 2.14954 44.07896 14.11204 0.448 10.78888 C ? A ? 22 CB 1
   ATOM 449 CG A PHE A 23 ? 2.50004 45.42452 14.54236 0.448 10.28366 C ? A ? 22 CG 1
   ATOM 450 CD1 A PHE A 23 ? 3.78068 45.73463 14.67093 0.448 10.30203 C ? A ? 22 CD1 1
   ATOM 451 CD2 A PHE A 23 ? 1.54662 46.36238 14.83211 0.448 10.69545 C ? A ? 22 CD2 1
   ATOM 452 CE1 A PHE A 23 ? 4.20357 46.95502 15.03602 0.448 11.46899 C ? A ? 22 CE1 1
   ATOM 453 CE2 A PHE A 23 ? 1.93412 47.65644 15.18064 0.448 9.84518 C ? A ? 22 CE2 1
   ATOM 454 CZ A PHE A 23 ? 3.27826 47.95969 15.26142 0.448 10.93765 C ? A ? 22 CZ 1
   ATOM 455 H A PHE A 23 ? 1.57713 42.11772 12.74533 0.981 13.94476 H ? A ? 22 H 1
   ATOM 456 HB2 A PHE A 23 ? 1.46158 43.73920 14.70549 0.448 12.91909 H ? A ? 22 HB2 1
   ATOM 457 HB3 A PHE A 23 ? 2.94288 43.52404 14.17175 0.448 12.91909 H ? A ? 22 HB3 1
   ATOM 458 HD1 A PHE A 23 ? 4.41598 45.07715 14.50058 0.448 12.33487 H ? A ? 22 HD1 1
   ATOM 459 HD2 A PHE A 23 ? 0.64474 46.13819 14.79687 0.448 12.80697 H ? A ? 22 HD2 1
   ATOM 460 HE1 A PHE A 23 ? 5.11240 47.12459 15.13692 0.448 13.73522 H ? A ? 22 HE1 1
   ATOM 461 HE2 A PHE A 23 ? 1.29386 48.30760 15.35661 0.448 11.78664 H ? A ? 22 HE2 1
   ATOM 462 HZ A PHE A 23 ? 3.55728 48.82349 15.46365 0.448 13.09761 H ? A ? 22 HZ 1
   ATOM 463 CB B PHE A 23 ? 2.29004 44.07833 14.09646 0.552 10.78268 C ? A ? 22 CB 1
   ATOM 464 CG B PHE A 23 ? 2.96698 45.39174 14.46231 0.552 9.88780 C ? A ? 22 CG 1
   ATOM 465 CD1 B PHE A 23 ? 4.27755 45.50588 14.52798 0.552 12.61571 C ? A ? 22 CD1 1
   ATOM 466 CD2 B PHE A 23 ? 2.20236 46.48586 14.85178 0.552 11.10519 C ? A ? 22 CD2 1
   ATOM 467 CE1 B PHE A 23 ? 4.86228 46.73243 14.83154 0.552 12.27824 C ? A ? 22 CE1 1
   ATOM 468 CE2 B PHE A 23 ? 2.74147 47.72712 15.19179 0.552 10.29328 C ? A ? 22 CE2 1
   ATOM 469 CZ B PHE A 23 ? 4.05726 47.85454 15.15786 0.552 11.47445 C ? A ? 22 CZ 1
   ATOM 470 H B PHE A 23 ? 1.44970 42.11554 12.83241 0.019 13.94476 H ? A ? 22 H 1
   ATOM 471 HB2 B PHE A 23 ? 1.60224 43.90907 14.75917 0.552 12.91164 H ? A ? 22 HB2 1
   ATOM 472 HB3 B PHE A 23 ? 2.96410 43.38172 14.13253 0.552 12.91164 H ? A ? 22 HB3 1
   ATOM 473 HD1 B PHE A 23 ? 4.81505 44.76339 14.37078 0.552 15.11129 H ? A ? 22 HD1 1
   ATOM 474 HD2 B PHE A 23 ? 1.27859 46.38452 14.88772 0.552 13.29866 H ? A ? 22 HD2 1
   ATOM 475 HE1 B PHE A 23 ? 5.78836 46.81704 14.82035 0.552 14.70632 H ? A ? 22 HE1 1
   ATOM 476 HE2 B PHE A 23 ? 2.19481 48.43954 15.43368 0.552 12.32437 H ? A ? 22 HE2 1
   ATOM 477 HZ B PHE A 23 ? 4.45275 48.67479 15.34677 0.552 13.74177 H ? A ? 22 HZ 1
   ATOM 478 N . GLY A 24 ? 3.67314 43.74367 11.41839 1.000 11.89441 N ? A ? 23 N 1
   ATOM 479 CA . GLY A 24 ? 4.78479 44.14957 10.62068 1.000 13.63786 C ? A ? 23 CA 1
   ATOM 480 C . GLY A 24 ? 4.44328 44.34852 9.13330 1.000 12.09566 C ? A ? 23 C 1
   ATOM 481 O . GLY A 24 ? 5.05774 45.19334 8.44923 1.000 13.37637 O ? A ? 23 O 1
   ATOM 482 H . GLY A 24 ? 3.74018 42.93914 11.71476 1.000 14.24573 H ? A ? 23 H 1
   ATOM 483 HA2 . GLY A 24 ? 5.12926 44.98886 10.96396 1.000 16.33787 H ? A ? 23 HA2 1
   ATOM 484 HA3 . GLY A 24 ? 5.47910 43.47490 10.68113 1.000 16.33787 H ? A ? 23 HA3 1
   ATOM 485 N . ARG A 25 ? 3.50554 43.58743 8.63102 1.000 11.20330 N ? A ? 24 N 1
   ATOM 486 CA . ARG A 25 ? 3.12187 43.75347 7.23454 1.000 11.49997 C ? A ? 24 CA 1
   ATOM 487 C . ARG A 25 ? 2.57948 45.12749 6.94658 1.000 11.51550 C ? A ? 24 C 1
   ATOM 488 O . ARG A 25 ? 2.43275 45.46929 5.72888 1.000 12.25003 O ? A ? 24 O 1
   ATOM 489 CB . ARG A 25 ? 2.13715 42.66913 6.78271 1.000 12.24085 C ? A ? 24 CB 1
   ATOM 490 CG . ARG A 25 ? 0.70476 42.79253 7.35790 1.000 10.89598 C ? A ? 24 CG 1
   ATOM 491 CD . ARG A 25 ? -0.17408 41.72655 6.91054 1.000 12.58330 C ? A ? 24 CD 1
   ATOM 492 NE . ARG A 25 ? 0.25482 40.35908 7.31214 1.000 10.25670 N ? A ? 24 NE 1
   ATOM 493 CZ . ARG A 25 ? -0.20856 39.28244 6.76277 1.000 11.09473 C ? A ? 24 CZ 1
   ATOM 494 NH1 . ARG A 25 ? -1.20175 39.37006 5.92427 1.000 12.04389 N ? A ? 24 NH1 1
   ATOM 495 NH2 . ARG A 25 ? 0.30084 38.09289 7.05034 1.000 11.39720 N ? A ? 24 NH2 1
   ATOM 496 H . ARG A 25 ? 3.07811 42.97680 9.06001 1.000 13.41638 H ? A ? 24 H 1
   ATOM 497 HA . ARG A 25 ? 3.91509 43.62907 6.69027 1.000 13.77240 H ? A ? 24 HA 1
   ATOM 498 HB2 . ARG A 25 ? 2.06484 42.70566 5.81610 1.000 14.66145 H ? A ? 24 HB2 1
   ATOM 499 HB3 . ARG A 25 ? 2.48566 41.80645 7.05697 1.000 14.66145 H ? A ? 24 HB3 1
   ATOM 500 HG2 . ARG A 25 ? 0.74852 42.75805 8.32630 1.000 13.04760 H ? A ? 24 HG2 1
   ATOM 501 HG3 . ARG A 25 ? 0.32092 43.63656 7.07299 1.000 13.04760 H ? A ? 24 HG3 1
   ATOM 502 HD2 . ARG A 25 ? -1.05678 41.87675 7.28361 1.000 15.07239 H ? A ? 24 HD2 1
   ATOM 503 HD3 . ARG A 25 ? -0.21563 41.74646 5.94163 1.000 15.07239 H ? A ? 24 HD3 1
   ATOM 504 HE . ARG A 25 ? 0.83828 40.28046 7.93902 1.000 12.28047 H ? A ? 24 HE 1
   ATOM 505 HH11 . ARG A 25 ? -1.54298 40.13780 5.74058 1.000 14.42509 H ? A ? 24 HH11 1
   ATOM 506 HH12 . ARG A 25 ? -1.51617 38.66015 5.55442 1.000 14.42509 H ? A ? 24 HH12 1
   ATOM 507 HH21 . ARG A 25 ? 0.95023 38.02717 7.61032 1.000 13.64908 H ? A ? 24 HH21 1
   ATOM 508 HH22 . ARG A 25 ? -0.01806 37.38687 6.67691 1.000 13.64908 H ? A ? 24 HH22 1
   ATOM 509 N A MET A 26 ? 2.19973 45.93550 7.94135 0.679 9.86232 N ? A ? 25 N 1
   ATOM 510 CA A MET A 26 ? 1.71720 47.29492 7.72052 0.679 10.94497 C ? A ? 25 CA 1
   ATOM 511 C A MET A 26 ? 2.80821 48.28382 7.64008 0.679 11.49250 C ? A ? 25 C 1
   ATOM 512 O A MET A 26 ? 2.56688 49.45617 7.25687 0.679 11.62430 O ? A ? 25 O 1
   ATOM 513 CB A MET A 26 ? 0.61493 47.61185 8.73889 0.679 12.05577 C ? A ? 25 CB 1
   ATOM 514 CG A MET A 26 ? -0.53330 46.69110 8.62177 0.679 12.02845 C ? A ? 25 CG 1
   ATOM 515 SD A MET A 26 ? -2.02931 47.21378 9.75233 0.679 10.15489 S ? A ? 25 SD 1
   ATOM 516 CE A MET A 26 ? -1.36045 46.69398 11.30319 0.679 9.37112 C ? A ? 25 CE 1
   ATOM 517 H A MET A 26 ? 2.21396 45.71084 8.77136 0.679 11.80722 H ? A ? 25 H 1
   ATOM 518 HA A MET A 26 ? 1.26616 47.37807 6.86580 0.679 13.10639 H ? A ? 25 HA 1
   ATOM 519 HB2 A MET A 26 ? 0.97738 47.53151 9.63503 0.679 14.43936 H ? A ? 25 HB2 1
   ATOM 520 HB3 A MET A 26 ? 0.29498 48.51541 8.59020 0.679 14.43936 H ? A ? 25 HB3 1
   ATOM 521 HG2 A MET A 26 ? -0.84023 46.68305 7.70165 0.679 14.40657 H ? A ? 25 HG2 1
   ATOM 522 HG3 A MET A 26 ? -0.25349 45.80071 8.88597 0.679 14.40657 H ? A ? 25 HG3 1
   ATOM 523 HE1 A MET A 26 ? -1.97472 46.94299 12.01141 0.679 11.21778 H ? A ? 25 HE1 1
   ATOM 524 HE2 A MET A 26 ? -1.24369 45.73112 11.28996 0.679 11.21778 H ? A ? 25 HE2 1
   ATOM 525 HE3 A MET A 26 ? -0.50435 47.12915 11.43967 0.679 11.21778 H ? A ? 25 HE3 1
   ATOM 526 N B MET A 26 ? 2.22920 45.92729 7.94564 0.321 10.01164 N ? A ? 25 N 1
   ATOM 527 CA B MET A 26 ? 1.74541 47.27240 7.68792 0.321 10.99042 C ? A ? 25 CA 1
   ATOM 528 C B MET A 26 ? 2.83462 48.27574 7.60725 0.321 11.50688 C ? A ? 25 C 1
   ATOM 529 O B MET A 26 ? 2.57949 49.43462 7.23307 0.321 11.64940 O ? A ? 25 O 1
   ATOM 530 CB B MET A 26 ? 0.79189 47.70273 8.76714 0.321 11.95075 C ? A ? 25 CB 1
   ATOM 531 CG B MET A 26 ? -0.37454 46.89149 8.72273 0.321 11.71326 C ? A ? 25 CG 1
   ATOM 532 SD B MET A 26 ? -1.56634 47.59483 9.92305 0.321 8.72464 S ? A ? 25 SD 1
   ATOM 533 CE B MET A 26 ? -0.83356 47.21577 11.48117 0.321 8.53329 C ? A ? 25 CE 1
   ATOM 534 H B MET A 26 ? 2.26327 45.71299 8.77782 0.321 11.98640 H ? A ? 25 H 1
   ATOM 535 HA B MET A 26 ? 1.26355 47.25543 6.84624 0.321 13.16093 H ? A ? 25 HA 1
   ATOM 536 HB2 B MET A 26 ? 1.21198 47.60102 9.63552 0.321 14.31333 H ? A ? 25 HB2 1
   ATOM 537 HB3 B MET A 26 ? 0.53599 48.62808 8.62873 0.321 14.31333 H ? A ? 25 HB3 1
   ATOM 538 HG2 B MET A 26 ? -0.76301 46.90737 7.83406 0.321 14.02835 H ? A ? 25 HG2 1
   ATOM 539 HG3 B MET A 26 ? -0.16117 45.97957 8.97529 0.321 14.02835 H ? A ? 25 HG3 1
   ATOM 540 HE1 B MET A 26 ? -1.49028 47.35521 12.18129 0.321 10.21237 H ? A ? 25 HE1 1
   ATOM 541 HE2 B MET A 26 ? -0.54540 46.28957 11.47766 0.321 10.21237 H ? A ? 25 HE2 1
   ATOM 542 HE3 B MET A 26 ? -0.07123 47.79883 11.62184 0.321 10.21237 H ? A ? 25 HE3 1
   ATOM 543 N . THR A 27 ? 4.04656 47.91502 7.96449 1.000 11.56638 N ? A ? 26 N 1
   ATOM 544 CA . THR A 27 ? 5.11337 48.89999 7.95186 1.000 12.22832 C ? A ? 26 CA 1
   ATOM 545 C . THR A 27 ? 5.25058 49.64123 6.62079 1.000 11.56463 C ? A ? 26 C 1
   ATOM 546 O . THR A 27 ? 5.43690 50.85773 6.65288 1.000 12.69938 O ? A ? 26 O 1
   ATOM 547 CB . THR A 27 ? 6.46674 48.23043 8.29303 1.000 13.03856 C ? A ? 26 CB 1
   ATOM 548 OG1 . THR A 27 ? 6.43899 47.62245 9.61045 1.000 13.73354 O ? A ? 26 OG1 1
   ATOM 549 CG2 . THR A 27 ? 7.56159 49.19846 8.38125 1.000 19.12632 C ? A ? 26 CG2 1
   ATOM 550 HA . THR A 27 ? 4.89581 49.54574 8.64220 1.000 14.64641 H ? A ? 26 HA 1
   ATOM 551 HB . THR A 27 ? 6.61826 47.58410 7.58578 1.000 15.61871 H ? A ? 26 HB 1
   ATOM 552 HG1 . THR A 27 ? 5.83248 47.04241 9.64646 1.000 16.45267 H ? A ? 26 HG1 1
   ATOM 553 HG21 . THR A 27 ? 8.32150 48.79956 8.83327 1.000 22.92401 H ? A ? 26 HG21 1
   ATOM 554 HG22 . THR A 27 ? 7.83342 49.47385 7.49178 1.000 22.92401 H ? A ? 26 HG22 1
   ATOM 555 HG23 . THR A 27 ? 7.27413 49.98002 8.87868 1.000 22.92401 H ? A ? 26 HG23 1
   ATOM 556 H A THR A 27 ? 4.28585 47.12020 8.18942 0.679 13.85209 H ? A ? 26 H 1
   ATOM 557 H B THR A 27 ? 4.27780 47.12509 8.21374 0.321 13.85209 H ? A ? 26 H 1
   ATOM 558 N . PRO A 28 ? 5.17968 48.98468 5.46825 1.000 12.27472 N ? A ? 27 N 1
   ATOM 559 CA . PRO A 28 ? 5.33589 49.75109 4.21863 1.000 12.08395 C ? A ? 27 CA 1
   ATOM 560 C . PRO A 28 ? 4.23370 50.74022 4.04775 1.000 12.08140 C ? A ? 27 C 1
   ATOM 561 O . PRO A 28 ? 4.42263 51.81728 3.39347 1.000 12.50215 O ? A ? 27 O 1
   ATOM 562 CB . PRO A 28 ? 5.39709 48.63927 3.15645 1.000 12.48901 C ? A ? 27 CB 1
   ATOM 563 CG . PRO A 28 ? 5.87148 47.42250 3.78614 1.000 13.58103 C ? A ? 27 CG 1
   ATOM 564 CD . PRO A 28 ? 5.21342 47.50207 5.16601 1.000 12.68079 C ? A ? 27 CD 1
   ATOM 565 HA . PRO A 28 ? 6.17903 50.22829 4.17064 1.000 14.47318 H ? A ? 27 HA 1
   ATOM 566 HB2 . PRO A 28 ? 4.50858 48.50208 2.79228 1.000 14.95925 H ? A ? 27 HB2 1
   ATOM 567 HB3 . PRO A 28 ? 6.00633 48.90980 2.45180 1.000 14.95925 H ? A ? 27 HB3 1
   ATOM 568 HG2 . PRO A 28 ? 5.57381 46.64245 3.29237 1.000 16.26967 H ? A ? 27 HG2 1
   ATOM 569 HG3 . PRO A 28 ? 6.83932 47.42481 3.85076 1.000 16.26967 H ? A ? 27 HG3 1
   ATOM 570 HD2 . PRO A 28 ? 4.31509 47.13714 5.13900 1.000 15.18938 H ? A ? 27 HD2 1
   ATOM 571 HD3 . PRO A 28 ? 5.74377 47.02950 5.82654 1.000 15.18938 H ? A ? 27 HD3 1
   ATOM 572 N . VAL A 29 ? 3.04537 50.40917 4.46602 1.000 11.85594 N ? A ? 28 N 1
   ATOM 573 CA . VAL A 29 ? 1.89708 51.29492 4.37386 1.000 11.84016 C ? A ? 28 CA 1
   ATOM 574 C . VAL A 29 ? 2.10505 52.51498 5.27260 1.000 12.48970 C ? A ? 28 C 1
   ATOM 575 O . VAL A 29 ? 1.91632 53.66238 4.85163 1.000 11.90708 O ? A ? 28 O 1
   ATOM 576 CB . VAL A 29 ? 0.62311 50.53103 4.72489 1.000 11.22791 C ? A ? 28 CB 1
   ATOM 577 CG1 . VAL A 29 ? -0.56017 51.47697 4.72887 1.000 12.22810 C ? A ? 28 CG1 1
   ATOM 578 CG2 . VAL A 29 ? 0.37391 49.46050 3.71367 1.000 12.77897 C ? A ? 28 CG2 1
   ATOM 579 H . VAL A 29 ? 2.85705 49.64989 4.82327 1.000 14.19955 H ? A ? 28 H 1
   ATOM 580 HA . VAL A 29 ? 1.80855 51.61405 3.46215 1.000 14.18062 H ? A ? 28 HA 1
   ATOM 581 HB . VAL A 29 ? 0.72737 50.13218 5.60293 1.000 13.44592 H ? A ? 28 HB 1
   ATOM 582 HG11 . VAL A 29 ? -1.37945 50.95782 4.74178 1.000 14.64615 H ? A ? 28 HG11 1
   ATOM 583 HG12 . VAL A 29 ? -0.51237 52.03919 5.51787 1.000 14.64615 H ? A ? 28 HG12 1
   ATOM 584 HG13 . VAL A 29 ? -0.52869 52.02546 3.92945 1.000 14.64615 H ? A ? 28 HG13 1
   ATOM 585 HG21 . VAL A 29 ? -0.44900 48.99890 3.93870 1.000 15.30720 H ? A ? 28 HG21 1
   ATOM 586 HG22 . VAL A 29 ? 0.29599 49.86679 2.83632 1.000 15.30720 H ? A ? 28 HG22 1
   ATOM 587 HG23 . VAL A 29 ? 1.11668 48.83674 3.72455 1.000 15.30720 H ? A ? 28 HG23 1
   ATOM 588 N . VAL A 30 ? 2.47329 52.31336 6.57969 1.000 11.85884 N ? A ? 29 N 1
   ATOM 589 CA . VAL A 30 ? 2.68316 53.48669 7.44226 1.000 11.18378 C ? A ? 29 CA 1
   ATOM 590 C . VAL A 30 ? 3.81046 54.33885 6.92866 1.000 13.64550 C ? A ? 29 C 1
   ATOM 591 O . VAL A 30 ? 3.76754 55.56115 7.12266 1.000 16.56236 O ? A ? 29 O 1
   ATOM 592 CB . VAL A 30 ? 2.95988 52.98896 8.88384 1.000 15.24569 C ? A ? 29 CB 1
   ATOM 593 CG1 . VAL A 30 ? 3.79264 53.86929 9.69750 1.000 19.51573 C ? A ? 29 CG1 1
   ATOM 594 CG2 . VAL A 30 ? 1.68216 52.44314 9.37313 1.000 15.33925 C ? A ? 29 CG2 1
   ATOM 595 H . VAL A 30 ? 2.59651 51.54867 6.95341 1.000 14.20304 H ? A ? 29 H 1
   ATOM 596 HA . VAL A 30 ? 1.88556 54.03871 7.43969 1.000 13.39297 H ? A ? 29 HA 1
   ATOM 597 HB . VAL A 30 ? 3.58996 52.25406 8.94573 1.000 18.26726 H ? A ? 29 HB 1
   ATOM 598 HG11 . VAL A 30 ? 3.91661 53.46766 10.57169 1.000 23.39131 H ? A ? 29 HG11 1
   ATOM 599 HG12 . VAL A 30 ? 4.65142 53.98373 9.26126 1.000 23.39131 H ? A ? 29 HG12 1
   ATOM 600 HG13 . VAL A 30 ? 3.35041 54.72790 9.78765 1.000 23.39131 H ? A ? 29 HG13 1
   ATOM 601 HG21 . VAL A 30 ? 1.80383 52.11794 10.27885 1.000 18.37954 H ? A ? 29 HG21 1
   ATOM 602 HG22 . VAL A 30 ? 1.01334 53.14560 9.36095 1.000 18.37954 H ? A ? 29 HG22 1
   ATOM 603 HG23 . VAL A 30 ? 1.40752 51.71486 8.79427 1.000 18.37954 H ? A ? 29 HG23 1
   ATOM 604 N . LYS A 31 ? 4.80160 53.74682 6.32057 1.000 12.81372 N ? A ? 30 N 1
   ATOM 605 CA . LYS A 31 ? 5.87126 54.54234 5.74145 1.000 14.17234 C ? A ? 30 CA 1
   ATOM 606 C . LYS A 31 ? 5.59004 55.18281 4.38276 1.000 15.41721 C ? A ? 30 C 1
   ATOM 607 O . LYS A 31 ? 6.44890 55.90057 3.82976 1.000 17.34412 O ? A ? 30 O 1
   ATOM 608 CB . LYS A 31 ? 7.11650 53.70731 5.58588 1.000 14.53716 C ? A ? 30 CB 1
   ATOM 609 CG . LYS A 31 ? 7.70609 53.27885 6.94944 1.000 19.81873 C ? A ? 30 CG 1
   ATOM 610 CD . LYS A 31 ? 8.93564 52.44775 6.66789 1.000 22.06175 C ? A ? 30 CD 1
   ATOM 611 CE . LYS A 31 ? 9.77757 52.15307 7.98084 1.000 33.39771 C ? A ? 30 CE 1
   ATOM 612 NZ . LYS A 31 ? 10.87302 51.10215 7.71534 1.000 44.00250 N ? A ? 30 NZ 1
   ATOM 613 H . LYS A 31 ? 4.88562 52.89618 6.22597 1.000 15.34890 H ? A ? 30 H 1
   ATOM 614 HA . LYS A 31 ? 6.01325 55.26543 6.37223 1.000 16.97924 H ? A ? 30 HA 1
   ATOM 615 HB2 . LYS A 31 ? 6.90108 52.90581 5.08380 1.000 17.41703 H ? A ? 30 HB2 1
   ATOM 616 HB3 . LYS A 31 ? 7.78861 54.22368 5.11415 1.000 17.41703 H ? A ? 30 HB3 1
   ATOM 617 HG2 . LYS A 31 ? 7.95671 54.05918 7.46826 1.000 23.75491 H ? A ? 30 HG2 1
   ATOM 618 HG3 . LYS A 31 ? 7.06277 52.74556 7.44202 1.000 23.75491 H ? A ? 30 HG3 1
   ATOM 619 HD2 . LYS A 31 ? 8.66483 51.59800 6.28646 1.000 26.44653 H ? A ? 30 HD2 1
   ATOM 620 HD3 . LYS A 31 ? 9.50604 52.92441 6.04472 1.000 26.44653 H ? A ? 30 HD3 1
   ATOM 621 HE2 . LYS A 31 ? 10.20395 52.97109 8.28076 1.000 40.04968 H ? A ? 30 HE2 1
   ATOM 622 HE3 . LYS A 31 ? 9.18817 51.81337 8.67229 1.000 40.04968 H ? A ? 30 HE3 1
   ATOM 623 HZ1 . LYS A 31 ? 11.32865 50.94187 8.46288 1.000 52.77544 H ? A ? 30 HZ1 1
   ATOM 624 HZ2 . LYS A 31 ? 10.50437 50.34276 7.43334 1.000 52.77544 H ? A ? 30 HZ2 1
   ATOM 625 HZ3 . LYS A 31 ? 11.43515 51.39907 7.09250 1.000 52.77544 H ? A ? 30 HZ3 1
   ATOM 626 N A GLY A 32 ? 4.45300 54.90277 3.80492 0.494 13.47688 N ? A ? 31 N 1
   ATOM 627 CA A GLY A 32 ? 4.15656 55.42756 2.47228 0.494 13.55802 C ? A ? 31 CA 1
   ATOM 628 C A GLY A 32 ? 4.79306 54.71710 1.29109 0.494 13.22399 C ? A ? 31 C 1
   ATOM 629 O A GLY A 32 ? 4.57831 55.13072 0.12030 0.494 12.83604 O ? A ? 31 O 1
   ATOM 630 H A GLY A 32 ? 3.83292 54.41648 4.14934 0.494 16.14468 H ? A ? 31 H 1
   ATOM 631 HA2 A GLY A 32 ? 3.19591 55.39454 2.34207 0.494 16.24206 H ? A ? 31 HA2 1
   ATOM 632 HA3 A GLY A 32 ? 4.44793 56.35223 2.44071 0.494 16.24206 H ? A ? 31 HA3 1
   ATOM 633 N B GLY A 32 ? 4.45251 54.90153 3.80004 0.506 13.47934 N ? A ? 31 N 1
   ATOM 634 CA B GLY A 32 ? 4.15124 55.42337 2.46278 0.506 13.55696 C ? A ? 31 CA 1
   ATOM 635 C B GLY A 32 ? 4.74833 54.68195 1.27762 0.506 13.22939 C ? A ? 31 C 1
   ATOM 636 O B GLY A 32 ? 4.45657 55.02953 0.09401 0.506 12.75852 O ? A ? 31 O 1
   ATOM 637 H B GLY A 32 ? 3.83275 54.41471 4.14427 0.506 16.14764 H ? A ? 31 H 1
   ATOM 638 HA2 B GLY A 32 ? 3.18815 55.41837 2.34729 0.506 16.24079 H ? A ? 31 HA2 1
   ATOM 639 HA3 B GLY A 32 ? 4.46998 56.33839 2.41753 0.506 16.24079 H ? A ? 31 HA3 1
   ATOM 640 N . GLN A 33 ? 5.49226 53.62302 1.49048 1.000 12.75809 N ? A ? 32 N 1
   ATOM 641 CA . GLN A 33 ? 6.10171 52.86396 0.44735 1.000 12.96957 C ? A ? 32 CA 1
   ATOM 642 C . GLN A 33 ? 5.13303 51.92042 -0.23371 1.000 12.02306 C ? A ? 32 C 1
   ATOM 643 O . GLN A 33 ? 5.41919 51.48000 -1.39235 1.000 14.80804 O ? A ? 32 O 1
   ATOM 644 CB . GLN A 33 ? 7.29179 52.06389 0.95648 1.000 15.78907 C ? A ? 32 CB 1
   ATOM 645 CG . GLN A 33 ? 8.44749 52.90771 1.52036 1.000 22.14250 C ? A ? 32 CG 1
   ATOM 646 CD . GLN A 33 ? 9.37518 52.06315 2.44818 1.000 33.11049 C ? A ? 32 CD 1
   ATOM 647 OE1 . GLN A 33 ? 9.00163 50.96751 2.96065 1.000 35.93786 O ? A ? 32 OE1 1
   ATOM 648 NE2 . GLN A 33 ? 10.57567 52.57788 2.66930 1.000 48.46134 N ? A ? 32 NE2 1
   ATOM 649 HA . GLN A 33 ? 6.43693 53.49509 -0.20854 1.000 15.53592 H ? A ? 32 HA 1
   ATOM 650 HB2 . GLN A 33 ? 6.98655 51.47725 1.66612 1.000 18.91932 H ? A ? 32 HB2 1
   ATOM 651 HB3 . GLN A 33 ? 7.64613 51.53916 0.22163 1.000 18.91932 H ? A ? 32 HB3 1
   ATOM 652 HG2 . GLN A 33 ? 8.98112 53.25140 0.78686 1.000 26.54343 H ? A ? 32 HG2 1
   ATOM 653 HG3 . GLN A 33 ? 8.08452 53.64246 2.03930 1.000 26.54343 H ? A ? 32 HG3 1
   ATOM 654 HE21 . GLN A 33 ? 10.79481 53.32785 2.30996 1.000 58.12604 H ? A ? 32 HE21 1
   ATOM 655 HE22 . GLN A 33 ? 11.13585 52.16206 3.17218 1.000 58.12604 H ? A ? 32 HE22 1
   ATOM 656 H A GLN A 33 ? 5.63262 53.28533 2.26885 0.494 15.28214 H ? A ? 32 H 1
   ATOM 657 H B GLN A 33 ? 5.66491 53.31191 2.27342 0.506 15.28214 H ? A ? 32 H 1
   ATOM 658 N . ALA A 34 ? 4.00546 51.64451 0.34410 1.000 11.80585 N ? A ? 33 N 1
   ATOM 659 CA . ALA A 34 ? 2.89746 50.90068 -0.25286 1.000 9.81092 C ? A ? 33 CA 1
   ATOM 660 C . ALA A 34 ? 1.66247 51.71624 -0.08349 1.000 11.00764 C ? A ? 33 C 1
   ATOM 661 O . ALA A 34 ? 1.59034 52.53063 0.84014 1.000 11.54095 O ? A ? 33 O 1
   ATOM 662 CB . ALA A 34 ? 2.77178 49.51555 0.46991 1.000 11.94135 C ? A ? 33 CB 1
   ATOM 663 H . ALA A 34 ? 3.82521 51.88939 1.14855 1.000 14.13945 H ? A ? 33 H 1
   ATOM 664 HA . ALA A 34 ? 3.01611 50.73299 -1.20086 1.000 11.74553 H ? A ? 33 HA 1
   ATOM 665 HB1 . ALA A 34 ? 2.04882 49.01203 0.06410 1.000 14.30205 H ? A ? 33 HB1 1
   ATOM 666 HB2 . ALA A 34 ? 3.60694 49.03181 0.37293 1.000 14.30205 H ? A ? 33 HB2 1
   ATOM 667 HB3 . ALA A 34 ? 2.58363 49.66559 1.40958 1.000 14.30205 H ? A ? 33 HB3 1
   ATOM 668 N . PRO A 35 ? 0.70361 51.61322 -1.01830 1.000 10.45457 N ? A ? 34 N 1
   ATOM 669 CA . PRO A 35 ? -0.48657 52.41403 -0.91553 1.000 10.86823 C ? A ? 34 CA 1
   ATOM 670 C . PRO A 35 ? -1.32756 52.12717 0.29254 1.000 11.11524 C ? A ? 34 C 1
   ATOM 671 O . PRO A 35 ? -1.31859 50.98389 0.85797 1.000 11.73182 O ? A ? 34 O 1
   ATOM 672 CB . PRO A 35 ? -1.23011 52.03673 -2.22736 1.000 12.34187 C ? A ? 34 CB 1
   ATOM 673 CG . PRO A 35 ? -0.65848 50.89589 -2.65278 1.000 13.02501 C ? A ? 34 CG 1
   ATOM 674 CD . PRO A 35 ? 0.66802 50.68172 -2.12409 1.000 11.79054 C ? A ? 34 CD 1
   ATOM 675 HA . PRO A 35 ? -0.25372 53.35521 -0.88632 1.000 13.01431 H ? A ? 34 HA 1
   ATOM 676 HB2 . PRO A 35 ? -2.17274 51.90200 -2.04245 1.000 14.78267 H ? A ? 34 HB2 1
   ATOM 677 HB3 . PRO A 35 ? -1.11820 52.74353 -2.88219 1.000 14.78267 H ? A ? 34 HB3 1
   ATOM 678 HG2 . PRO A 35 ? -1.22872 50.16060 -2.37879 1.000 15.60244 H ? A ? 34 HG2 1
   ATOM 679 HG3 . PRO A 35 ? -0.60880 50.93434 -3.62074 1.000 15.60244 H ? A ? 34 HG3 1
   ATOM 680 HD2 . PRO A 35 ? 0.77938 49.76851 -1.81660 1.000 14.12108 H ? A ? 34 HD2 1
   ATOM 681 HD3 . PRO A 35 ? 1.34664 50.89478 -2.78362 1.000 14.12108 H ? A ? 34 HD3 1
   ATOM 682 N A TYR A 36 ? -2.04215 53.15506 0.74395 0.400 11.42529 N ? A ? 35 N 1
   ATOM 683 CA A TYR A 36 ? -2.95938 53.05535 1.85650 0.400 12.67719 C ? A ? 35 CA 1
   ATOM 684 C A TYR A 36 ? -4.40354 52.86172 1.42747 0.400 12.29085 C ? A ? 35 C 1
   ATOM 685 O A TYR A 36 ? -5.06733 53.79402 0.89083 0.400 12.36789 O ? A ? 35 O 1
   ATOM 686 CB A TYR A 36 ? -2.84607 54.22749 2.81887 0.400 14.04949 C ? A ? 35 CB 1
   ATOM 687 CG A TYR A 36 ? -3.92160 54.20978 3.88701 0.400 12.99673 C ? A ? 35 CG 1
   ATOM 688 CD1 A TYR A 36 ? -4.14894 53.06352 4.68121 0.400 12.49462 C ? A ? 35 CD1 1
   ATOM 689 CD2 A TYR A 36 ? -4.65919 55.31071 4.16621 0.400 13.12006 C ? A ? 35 CD2 1
   ATOM 690 CE1 A TYR A 36 ? -5.12717 53.01930 5.70422 0.400 13.06693 C ? A ? 35 CE1 1
   ATOM 691 CE2 A TYR A 36 ? -5.61245 55.30617 5.22035 0.400 14.70886 C ? A ? 35 CE2 1
   ATOM 692 CZ A TYR A 36 ? -5.85108 54.14399 5.96075 0.400 13.59658 C ? A ? 35 CZ 1
   ATOM 693 OH A TYR A 36 ? -6.85773 54.19441 6.92644 0.400 14.55492 O ? A ? 35 OH 1
   ATOM 694 H A TYR A 36 ? -2.00599 53.94460 0.40495 0.400 13.68278 H ? A ? 35 H 1
   ATOM 695 HA A TYR A 36 ? -2.69763 52.23922 2.31073 0.400 15.18506 H ? A ? 35 HA 1
   ATOM 696 HB2 A TYR A 36 ? -1.98295 54.19230 3.26010 0.400 16.83182 H ? A ? 35 HB2 1
   ATOM 697 HB3 A TYR A 36 ? -2.93036 55.05537 2.32045 0.400 16.83182 H ? A ? 35 HB3 1
   ATOM 698 HD1 A TYR A 36 ? -3.63375 52.30510 4.52536 0.400 14.96598 H ? A ? 35 HD1 1
   ATOM 699 HD2 A TYR A 36 ? -4.54006 56.08184 3.66019 0.400 15.71650 H ? A ? 35 HD2 1
   ATOM 700 HE1 A TYR A 36 ? -5.27204 52.23962 6.19003 0.400 15.65274 H ? A ? 35 HE1 1
   ATOM 701 HE2 A TYR A 36 ? -6.08214 56.08369 5.41972 0.400 17.62306 H ? A ? 35 HE2 1
   ATOM 702 HH A TYR A 36 ? -6.91374 54.97053 7.24282 0.400 17.43834 H ? A ? 35 HH 1
   ATOM 703 N B TYR A 36 ? -2.12420 53.11349 0.67538 0.269 11.48972 N ? A ? 35 N 1
   ATOM 704 CA B TYR A 36 ? -3.02266 53.01762 1.80548 0.269 12.64375 C ? A ? 35 CA 1
   ATOM 705 C B TYR A 36 ? -4.45761 52.77356 1.36823 0.269 12.34993 C ? A ? 35 C 1
   ATOM 706 O B TYR A 36 ? -5.10980 53.66058 0.78445 0.269 12.38663 O ? A ? 35 O 1
   ATOM 707 CB B TYR A 36 ? -2.94972 54.27077 2.66717 0.269 13.94133 C ? A ? 35 CB 1
   ATOM 708 CG B TYR A 36 ? -3.94048 54.26594 3.83930 0.269 12.97986 C ? A ? 35 CG 1
   ATOM 709 CD1 B TYR A 36 ? -3.92225 53.25499 4.78291 0.269 12.61844 C ? A ? 35 CD1 1
   ATOM 710 CD2 B TYR A 36 ? -4.89345 55.24339 3.99905 0.269 13.34974 C ? A ? 35 CD2 1
   ATOM 711 CE1 B TYR A 36 ? -4.82053 53.22424 5.84075 0.269 13.14339 C ? A ? 35 CE1 1
   ATOM 712 CE2 B TYR A 36 ? -5.78182 55.22971 5.04420 0.269 14.65925 C ? A ? 35 CE2 1
   ATOM 713 CZ B TYR A 36 ? -5.73640 54.21335 5.96318 0.269 13.61655 C ? A ? 35 CZ 1
   ATOM 714 OH B TYR A 36 ? -6.65291 54.25159 6.99134 0.269 14.52768 O ? A ? 35 OH 1
   ATOM 715 H B TYR A 36 ? -2.16084 53.87566 0.27869 0.269 13.76010 H ? A ? 35 H 1
   ATOM 716 HA B TYR A 36 ? -2.74391 52.24107 2.31554 0.269 15.14493 H ? A ? 35 HA 1
   ATOM 717 HB2 B TYR A 36 ? -2.05514 54.34622 3.03450 0.269 16.70202 H ? A ? 35 HB2 1
   ATOM 718 HB3 B TYR A 36 ? -3.14745 55.04271 2.11408 0.269 16.70202 H ? A ? 35 HB3 1
   ATOM 719 HD1 B TYR A 36 ? -3.29048 52.57680 4.70658 0.269 15.11456 H ? A ? 35 HD1 1
   ATOM 720 HD2 B TYR A 36 ? -4.93735 55.93548 3.37938 0.269 15.99212 H ? A ? 35 HD2 1
   ATOM 721 HE1 B TYR A 36 ? -4.79334 52.53054 6.45957 0.269 15.74450 H ? A ? 35 HE1 1
   ATOM 722 HE2 B TYR A 36 ? -6.41281 55.90760 5.12909 0.269 17.56353 H ? A ? 35 HE2 1
   ATOM 723 HH B TYR A 36 ? -7.21441 54.86088 6.85318 0.269 17.40564 H ? A ? 35 HH 1
   ATOM 724 N C TYR A 36 ? -2.13490 53.09941 0.67120 0.331 11.47572 N ? A ? 35 N 1
   ATOM 725 CA C TYR A 36 ? -3.04504 52.97874 1.79168 0.331 12.63760 C ? A ? 35 CA 1
   ATOM 726 C C TYR A 36 ? -4.46229 52.71257 1.31800 0.331 12.36374 C ? A ? 35 C 1
   ATOM 727 O C TYR A 36 ? -5.05591 53.55549 0.64445 0.331 12.34601 O ? A ? 35 O 1
   ATOM 728 CB C TYR A 36 ? -3.01273 54.23279 2.66853 0.331 13.95179 C ? A ? 35 CB 1
   ATOM 729 CG C TYR A 36 ? -4.04307 54.24019 3.82919 0.331 12.95230 C ? A ? 35 CG 1
   ATOM 730 CD1 C TYR A 36 ? -4.09316 53.21221 4.76796 0.331 12.51823 C ? A ? 35 CD1 1
   ATOM 731 CD2 C TYR A 36 ? -4.96333 55.24419 3.97790 0.331 13.35472 C ? A ? 35 CD2 1
   ATOM 732 CE1 C TYR A 36 ? -5.03988 53.19352 5.79436 0.331 13.06908 C ? A ? 35 CE1 1
   ATOM 733 CE2 C TYR A 36 ? -5.89291 55.23942 4.97677 0.331 14.66141 C ? A ? 35 CE2 1
   ATOM 734 CZ C TYR A 36 ? -5.92307 54.21340 5.89229 0.331 13.67097 C ? A ? 35 CZ 1
   ATOM 735 OH C TYR A 36 ? -6.90219 54.24794 6.86834 0.331 14.53152 O ? A ? 35 OH 1
   ATOM 736 H C TYR A 36 ? -2.17491 53.86481 0.28112 0.331 13.74329 H ? A ? 35 H 1
   ATOM 737 HA C TYR A 36 ? -2.75836 52.20922 2.30796 0.331 15.13755 H ? A ? 35 HA 1
   ATOM 738 HB2 C TYR A 36 ? -2.12947 54.31108 3.06176 0.331 16.71458 H ? A ? 35 HB2 1
   ATOM 739 HB3 C TYR A 36 ? -3.19674 55.00413 2.10991 0.331 16.71458 H ? A ? 35 HB3 1
   ATOM 740 HD1 C TYR A 36 ? -3.47765 52.51751 4.70938 0.331 14.99431 H ? A ? 35 HD1 1
   ATOM 741 HD2 C TYR A 36 ? -4.95412 55.95389 3.37695 0.331 15.99809 H ? A ? 35 HD2 1
   ATOM 742 HE1 C TYR A 36 ? -5.06283 52.48984 6.40199 0.331 15.65532 H ? A ? 35 HE1 1
   ATOM 743 HE2 C TYR A 36 ? -6.50906 55.93326 5.03883 0.331 17.56613 H ? A ? 35 HE2 1
   ATOM 744 HH C TYR A 36 ? -6.90179 54.99658 7.24931 0.331 17.41025 H ? A ? 35 HH 1
   ATOM 745 N A ASP A 37 ? -4.89619 51.65595 1.60254 0.400 12.08819 N ? A ? 36 N 1
   ATOM 746 CA A ASP A 37 ? -6.27816 51.37982 1.37154 0.400 12.16864 C ? A ? 36 CA 1
   ATOM 747 C A ASP A 37 ? -6.89475 51.17218 2.73227 0.400 11.65773 C ? A ? 36 C 1
   ATOM 748 O A ASP A 37 ? -6.49791 50.26944 3.50552 0.400 10.44398 O ? A ? 36 O 1
   ATOM 749 CB A ASP A 37 ? -6.43534 50.08525 0.59412 0.400 12.09915 C ? A ? 36 CB 1
   ATOM 750 CG A ASP A 37 ? -7.86308 49.75503 0.31796 0.400 12.74917 C ? A ? 36 CG 1
   ATOM 751 OD1 A ASP A 37 ? -8.42598 50.40837 -0.61953 0.400 14.17132 O ? A ? 36 OD1 1
   ATOM 752 OD2 A ASP A 37 ? -8.45656 48.86201 0.91904 0.400 12.16240 O ? A ? 36 OD2 1
   ATOM 753 H A ASP A 37 ? -4.43584 50.97627 1.85887 0.400 14.47825 H ? A ? 36 H 1
   ATOM 754 HA A ASP A 37 ? -6.69745 52.10836 0.88746 0.400 14.57480 H ? A ? 36 HA 1
   ATOM 755 HB2 A ASP A 37 ? -5.97568 50.16814 -0.25602 0.400 14.49141 H ? A ? 36 HB2 1
   ATOM 756 HB3 A ASP A 37 ? -6.05226 49.35779 1.10885 0.400 14.49141 H ? A ? 36 HB3 1
   ATOM 757 N B ASP A 37 ? -4.96110 51.58421 1.63615 0.269 12.08139 N ? A ? 36 N 1
   ATOM 758 CA B ASP A 37 ? -6.32187 51.19993 1.32602 0.269 12.35243 C ? A ? 36 CA 1
   ATOM 759 C B ASP A 37 ? -7.02025 51.03216 2.67720 0.269 11.67886 C ? A ? 36 C 1
   ATOM 760 O B ASP A 37 ? -6.77321 50.05830 3.43676 0.269 10.48430 O ? A ? 36 O 1
   ATOM 761 CB B ASP A 37 ? -6.34787 49.89971 0.53959 0.269 12.29669 C ? A ? 36 CB 1
   ATOM 762 CG B ASP A 37 ? -7.74471 49.44314 0.22493 0.269 12.80561 C ? A ? 36 CG 1
   ATOM 763 OD1 B ASP A 37 ? -8.65415 49.32995 1.09041 0.269 12.41360 O ? A ? 36 OD1 1
   ATOM 764 OD2 B ASP A 37 ? -7.99366 49.27953 -1.00511 0.269 13.12556 O ? A ? 36 OD2 1
   ATOM 765 H B ASP A 37 ? -4.51297 50.95516 2.01440 0.269 14.47010 H ? A ? 36 H 1
   ATOM 766 HA B ASP A 37 ? -6.76183 51.88419 0.79770 0.269 14.79535 H ? A ? 36 HA 1
   ATOM 767 HB2 B ASP A 37 ? -5.87721 50.02725 -0.29892 0.269 14.72846 H ? A ? 36 HB2 1
   ATOM 768 HB3 B ASP A 37 ? -5.91494 49.20558 1.06080 0.269 14.72846 H ? A ? 36 HB3 1
   ATOM 769 N C ASP A 37 ? -5.00176 51.54595 1.63408 0.331 12.06491 N ? A ? 36 N 1
   ATOM 770 CA C ASP A 37 ? -6.35245 51.11976 1.28656 0.331 12.37963 C ? A ? 36 CA 1
   ATOM 771 C C ASP A 37 ? -7.06163 50.98778 2.65480 0.331 11.66004 C ? A ? 36 C 1
   ATOM 772 O C ASP A 37 ? -6.82548 50.02818 3.43322 0.331 10.43298 O ? A ? 36 O 1
   ATOM 773 CB C ASP A 37 ? -6.29369 49.80037 0.50368 0.331 12.29816 C ? A ? 36 CB 1
   ATOM 774 CG C ASP A 37 ? -7.65076 49.17928 0.30098 0.331 12.60062 C ? A ? 36 CG 1
   ATOM 775 OD1 C ASP A 37 ? -8.63612 49.54802 1.00861 0.331 12.36407 O ? A ? 36 OD1 1
   ATOM 776 OD2 C ASP A 37 ? -7.78227 48.35044 -0.65370 0.331 13.12777 O ? A ? 36 OD2 1
   ATOM 777 H C ASP A 37 ? -4.57900 50.94339 2.07883 0.331 14.45033 H ? A ? 36 H 1
   ATOM 778 HA C ASP A 37 ? -6.82839 51.75592 0.73006 0.331 14.82798 H ? A ? 36 HA 1
   ATOM 779 HB2 C ASP A 37 ? -5.90782 49.96872 -0.37020 0.331 14.73022 H ? A ? 36 HB2 1
   ATOM 780 HB3 C ASP A 37 ? -5.74464 49.16746 0.99242 0.331 14.73022 H ? A ? 36 HB3 1
   ATOM 781 N . ALA A 38 ? -7.83743 52.00675 3.03514 1.000 10.54397 N ? A ? 37 N 1
   ATOM 782 CA . ALA A 38 ? -8.37390 52.01026 4.40585 1.000 11.09388 C ? A ? 37 CA 1
   ATOM 783 C . ALA A 38 ? -9.14493 50.76596 4.70753 1.000 10.94078 C ? A ? 37 C 1
   ATOM 784 O . ALA A 38 ? -9.01283 50.24823 5.86178 1.000 11.49381 O ? A ? 37 O 1
   ATOM 785 CB . ALA A 38 ? -9.32483 53.19717 4.62075 1.000 14.16129 C ? A ? 37 CB 1
   ATOM 786 HA . ALA A 38 ? -7.61158 52.08355 5.00116 1.000 13.28508 H ? A ? 37 HA 1
   ATOM 787 HB1 . ALA A 38 ? -9.70640 53.13901 5.51065 1.000 16.96598 H ? A ? 37 HB1 1
   ATOM 788 HB2 . ALA A 38 ? -8.82473 54.02319 4.52862 1.000 16.96598 H ? A ? 37 HB2 1
   ATOM 789 HB3 . ALA A 38 ? -10.02989 53.16140 3.95554 1.000 16.96598 H ? A ? 37 HB3 1
   ATOM 790 H A ALA A 38 ? -8.19187 52.57683 2.49756 0.400 12.62520 H ? A ? 37 H 1
   ATOM 791 H B ALA A 38 ? -8.09344 52.65625 2.53293 0.269 12.62520 H ? A ? 37 H 1
   ATOM 792 H C ALA A 38 ? -8.05988 52.67786 2.54551 0.331 12.62520 H ? A ? 37 H 1
   ATOM 793 N . ALA A 39 ? -9.87982 50.19679 3.78170 1.000 12.30860 N ? A ? 38 N 1
   ATOM 794 CA . ALA A 39 ? -10.62293 48.96238 4.07599 1.000 12.56903 C ? A ? 38 CA 1
   ATOM 795 C . ALA A 39 ? -9.69690 47.78094 4.28141 1.000 11.96957 C ? A ? 38 C 1
   ATOM 796 O . ALA A 39 ? -9.93534 46.94313 5.18907 1.000 12.58588 O ? A ? 38 O 1
   ATOM 797 CB . ALA A 39 ? -11.65896 48.68116 2.99493 1.000 15.19635 C ? A ? 38 CB 1
   ATOM 798 H . ALA A 39 ? -9.97456 50.48951 2.97862 1.000 14.74275 H ? A ? 38 H 1
   ATOM 799 HA . ALA A 39 ? -11.10862 49.09291 4.90543 1.000 15.05527 H ? A ? 38 HA 1
   ATOM 800 HB1 . ALA A 39 ? -12.11749 47.85256 3.20485 1.000 18.20805 H ? A ? 38 HB1 1
   ATOM 801 HB2 . ALA A 39 ? -12.29457 49.41342 2.96852 1.000 18.20805 H ? A ? 38 HB2 1
   ATOM 802 HB3 . ALA A 39 ? -11.20908 48.60263 2.13916 1.000 18.20805 H ? A ? 38 HB3 1
   ATOM 803 N . GLN A 40 ? -8.62599 47.71094 3.53545 1.000 12.45751 N ? A ? 39 N 1
   ATOM 804 CA . GLN A 40 ? -7.63170 46.65902 3.68145 1.000 12.81000 C ? A ? 39 CA 1
   ATOM 805 C . GLN A 40 ? -7.02314 46.72782 5.08822 1.000 12.27923 C ? A ? 39 C 1
   ATOM 806 O . GLN A 40 ? -6.90215 45.69214 5.80996 1.000 11.85262 O ? A ? 39 O 1
   ATOM 807 CB . GLN A 40 ? -6.50134 46.79804 2.64651 1.000 14.58955 C ? A ? 39 CB 1
   ATOM 808 CG . GLN A 40 ? -5.28590 45.76534 2.82988 1.000 13.82845 C ? A ? 39 CG 1
   ATOM 809 CD . GLN A 40 ? -4.17411 46.03830 1.83075 1.000 15.94029 C ? A ? 39 CD 1
   ATOM 810 OE1 . GLN A 40 ? -3.91223 47.23636 1.50515 1.000 16.39661 O ? A ? 39 OE1 1
   ATOM 811 NE2 . GLN A 40 ? -3.47966 44.98636 1.31868 1.000 16.88128 N ? A ? 39 NE2 1
   ATOM 812 H . GLN A 40 ? -8.43517 48.27370 2.91376 1.000 14.92145 H ? A ? 39 H 1
   ATOM 813 HA . GLN A 40 ? -8.06761 45.80588 3.52966 1.000 15.34444 H ? A ? 39 HA 1
   ATOM 814 HB2 . GLN A 40 ? -6.87450 46.65464 1.76272 1.000 17.47990 H ? A ? 39 HB2 1
   ATOM 815 HB3 . GLN A 40 ? -6.13459 47.69376 2.71044 1.000 17.47990 H ? A ? 39 HB3 1
   ATOM 816 HG2 . GLN A 40 ? -4.92163 45.85286 3.72462 1.000 16.56657 H ? A ? 39 HG2 1
   ATOM 817 HG3 . GLN A 40 ? -5.60810 44.86120 2.68983 1.000 16.56657 H ? A ? 39 HG3 1
   ATOM 818 HE21 . GLN A 40 ? -3.67299 44.18435 1.56158 1.000 20.22997 H ? A ? 39 HE21 1
   ATOM 819 HE22 . GLN A 40 ? -2.84735 45.12344 0.75211 1.000 20.22997 H ? A ? 39 HE22 1
   ATOM 820 N . ILE A 41 ? -6.61580 47.89637 5.53549 1.000 11.48112 N ? A ? 40 N 1
   ATOM 821 CA . ILE A 41 ? -5.98070 48.05407 6.83214 1.000 10.78303 C ? A ? 40 CA 1
   ATOM 822 C . ILE A 41 ? -7.00922 47.85106 7.89002 1.000 11.10129 C ? A ? 40 C 1
   ATOM 823 O . ILE A 41 ? -6.66403 47.19468 8.92403 1.000 11.34623 O ? A ? 40 O 1
   ATOM 824 CB . ILE A 41 ? -5.34391 49.43585 6.86799 1.000 11.33286 C ? A ? 40 CB 1
   ATOM 825 CG1 . ILE A 41 ? -4.09539 49.53572 6.00854 1.000 11.56183 C ? A ? 40 CG1 1
   ATOM 826 CG2 . ILE A 41 ? -4.94324 49.76840 8.31873 1.000 11.61414 C ? A ? 40 CG2 1
   ATOM 827 CD1 . ILE A 41 ? -3.01843 48.60295 6.24293 1.000 13.53972 C ? A ? 40 CD1 1
   ATOM 828 H . ILE A 41 ? -6.69500 48.63430 5.10099 1.000 13.74978 H ? A ? 40 H 1
   ATOM 829 HA . ILE A 41 ? -5.28182 47.39811 6.98109 1.000 12.91207 H ? A ? 40 HA 1
   ATOM 830 HB . ILE A 41 ? -6.00344 50.05491 6.51772 1.000 13.57186 H ? A ? 40 HB 1
   ATOM 831 HG12 . ILE A 41 ? -4.36563 49.41730 5.08450 1.000 13.84663 H ? A ? 40 HG12 1
   ATOM 832 HG13 . ILE A 41 ? -3.72336 50.42266 6.13433 1.000 13.84663 H ? A ? 40 HG13 1
   ATOM 833 HG21 . ILE A 41 ? -4.34138 50.52909 8.31366 1.000 13.90940 H ? A ? 40 HG21 1
   ATOM 834 HG22 . ILE A 41 ? -5.74202 49.98199 8.82591 1.000 13.90940 H ? A ? 40 HG22 1
   ATOM 835 HG23 . ILE A 41 ? -4.50004 48.99854 8.70833 1.000 13.90940 H ? A ? 40 HG23 1
   ATOM 836 HD11 . ILE A 41 ? -2.24677 48.87399 5.72140 1.000 16.22009 H ? A ? 40 HD11 1
   ATOM 837 HD12 . ILE A 41 ? -2.79726 48.60678 7.18738 1.000 16.22009 H ? A ? 40 HD12 1
   ATOM 838 HD13 . ILE A 41 ? -3.30460 47.71606 5.97382 1.000 16.22009 H ? A ? 40 HD13 1
   ATOM 839 N . LYS A 42 ? -8.25945 48.26221 7.78084 1.000 12.10776 N ? A ? 41 N 1
   ATOM 840 CA . LYS A 42 ? -9.28294 48.03007 8.80046 1.000 12.39095 C ? A ? 41 CA 1
   ATOM 841 C . LYS A 42 ? -9.43251 46.54007 9.01640 1.000 11.51371 C ? A ? 41 C 1
   ATOM 842 O . LYS A 42 ? -9.46720 46.05818 10.16989 1.000 12.10420 O ? A ? 41 O 1
   ATOM 843 CB . LYS A 42 ? -10.62888 48.67452 8.36628 1.000 12.07554 C ? A ? 41 CB 1
   ATOM 844 CG . LYS A 42 ? -11.72634 48.45415 9.40196 1.000 14.92144 C ? A ? 41 CG 1
   ATOM 845 CD . LYS A 42 ? -13.02058 49.13755 9.02595 1.000 17.51270 C ? A ? 41 CD 1
   ATOM 846 CE . LYS A 42 ? -14.17020 48.82509 10.00111 1.000 19.86021 C ? A ? 41 CE 1
   ATOM 847 NZ . LYS A 42 ? -15.46173 49.48255 9.55304 1.000 21.65413 N ? A ? 41 NZ 1
   ATOM 848 H . LYS A 42 ? -8.56089 48.69590 7.10213 1.000 14.50174 H ? A ? 41 H 1
   ATOM 849 HA . LYS A 42 ? -9.02702 48.44983 9.63665 1.000 14.84157 H ? A ? 41 HA 1
   ATOM 850 HB2 . LYS A 42 ? -10.50362 49.62992 8.25488 1.000 14.46308 H ? A ? 41 HB2 1
   ATOM 851 HB3 . LYS A 42 ? -10.91692 48.27786 7.52926 1.000 14.46308 H ? A ? 41 HB3 1
   ATOM 852 HG2 . LYS A 42 ? -11.90063 47.50336 9.48268 1.000 17.87816 H ? A ? 41 HG2 1
   ATOM 853 HG3 . LYS A 42 ? -11.43432 48.81151 10.25514 1.000 17.87816 H ? A ? 41 HG3 1
   ATOM 854 HD2 . LYS A 42 ? -12.88208 50.09761 9.02536 1.000 20.98767 H ? A ? 41 HD2 1
   ATOM 855 HD3 . LYS A 42 ? -13.28933 48.84059 8.14249 1.000 20.98767 H ? A ? 41 HD3 1
   ATOM 856 HE2 . LYS A 42 ? -14.31088 47.86602 10.03709 1.000 23.80469 H ? A ? 41 HE2 1
   ATOM 857 HE3 . LYS A 42 ? -13.94526 49.16071 10.88296 1.000 23.80469 H ? A ? 41 HE3 1
   ATOM 858 HZ1 . LYS A 42 ? -15.71203 50.09726 10.14598 1.000 25.95738 H ? A ? 41 HZ1 1
   ATOM 859 HZ2 . LYS A 42 ? -15.34552 49.87432 8.76240 1.000 25.95738 H ? A ? 41 HZ2 1
   ATOM 860 HZ3 . LYS A 42 ? -16.10513 48.87186 9.48100 1.000 25.95738 H ? A ? 41 HZ3 1
   ATOM 861 N . ALA A 43 ? -9.50971 45.77195 7.94446 1.000 13.05873 N ? A ? 42 N 1
   ATOM 862 CA . ALA A 43 ? -9.69745 44.32273 8.07146 1.000 13.66692 C ? A ? 42 CA 1
   ATOM 863 C . ALA A 43 ? -8.45770 43.65948 8.61687 1.000 12.30369 C ? A ? 42 C 1
   ATOM 864 O . ALA A 43 ? -8.57542 42.75287 9.48269 1.000 13.33509 O ? A ? 42 O 1
   ATOM 865 CB . ALA A 43 ? -9.96310 43.68402 6.66035 1.000 14.70108 C ? A ? 42 CB 1
   ATOM 866 H . ALA A 43 ? -9.45780 46.05394 7.13367 1.000 15.64291 H ? A ? 42 H 1
   ATOM 867 HA . ALA A 43 ? -10.45576 44.17295 8.65749 1.000 16.37273 H ? A ? 42 HA 1
   ATOM 868 HB1 . ALA A 43 ? -10.04098 42.72216 6.75867 1.000 17.61372 H ? A ? 42 HB1 1
   ATOM 869 HB2 . ALA A 43 ? -10.78680 44.04737 6.29925 1.000 17.61372 H ? A ? 42 HB2 1
   ATOM 870 HB3 . ALA A 43 ? -9.22168 43.89747 6.07245 1.000 17.61372 H ? A ? 42 HB3 1
   ATOM 871 N . ASN A 44 ? -7.26677 44.13881 8.30928 1.000 12.68372 N ? A ? 43 N 1
   ATOM 872 CA . ASN A 44 ? -6.06698 43.54824 8.84768 1.000 12.60246 C ? A ? 43 CA 1
   ATOM 873 C . ASN A 44 ? -5.95253 43.84024 10.31877 1.000 10.62077 C ? A ? 43 C 1
   ATOM 874 O . ASN A 44 ? -5.50019 42.94049 11.10220 1.000 11.68442 O ? A ? 43 O 1
   ATOM 875 CB . ASN A 44 ? -4.80060 44.08900 8.17307 1.000 11.34111 C ? A ? 43 CB 1
   ATOM 876 CG . ASN A 44 ? -3.54084 43.39751 8.71440 1.000 10.60943 C ? A ? 43 CG 1
   ATOM 877 OD1 . ASN A 44 ? -3.42838 42.22044 8.48797 1.000 11.88735 O ? A ? 43 OD1 1
   ATOM 878 ND2 . ASN A 44 ? -2.66562 44.12445 9.30281 1.000 11.42477 N ? A ? 43 ND2 1
   ATOM 879 H . ASN A 44 ? -7.12799 44.80873 7.78818 1.000 15.19290 H ? A ? 43 H 1
   ATOM 880 HA . ASN A 44 ? -6.12279 42.59493 8.67743 1.000 15.09538 H ? A ? 43 HA 1
   ATOM 881 HB2 . ASN A 44 ? -4.85140 43.92819 7.21784 1.000 13.58176 H ? A ? 43 HB2 1
   ATOM 882 HB3 . ASN A 44 ? -4.72552 45.04054 8.34578 1.000 13.58176 H ? A ? 43 HB3 1
   ATOM 883 HD21 . ASN A 44 ? -1.94959 43.76607 9.61659 1.000 13.68216 H ? A ? 43 HD21 1
   ATOM 884 HD22 . ASN A 44 ? -2.79402 44.97092 9.38408 1.000 13.68216 H ? A ? 43 HD22 1
   ATOM 885 N . VAL A 45 ? -6.22740 45.04708 10.72624 1.000 10.58651 N ? A ? 44 N 1
   ATOM 886 CA . VAL A 45 ? -6.19408 45.38464 12.17606 1.000 12.62502 C ? A ? 44 CA 1
   ATOM 887 C . VAL A 45 ? -7.21185 44.61468 12.95923 1.000 12.32801 C ? A ? 44 C 1
   ATOM 888 O . VAL A 45 ? -6.93290 44.25157 14.12132 1.000 12.46713 O ? A ? 44 O 1
   ATOM 889 CB . VAL A 45 ? -6.22678 46.90116 12.36627 1.000 10.98524 C ? A ? 44 CB 1
   ATOM 890 CG1 . VAL A 45 ? -6.34364 47.23094 13.90430 1.000 13.79428 C ? A ? 44 CG1 1
   ATOM 891 CG2 . VAL A 45 ? -4.98906 47.51801 11.75549 1.000 10.78772 C ? A ? 44 CG2 1
   ATOM 892 H . VAL A 45 ? -6.43762 45.70344 10.21185 1.000 12.67625 H ? A ? 44 H 1
   ATOM 893 HA . VAL A 45 ? -5.34736 45.09403 12.54958 1.000 15.12246 H ? A ? 44 HA 1
   ATOM 894 HB . VAL A 45 ? -6.99683 47.28477 11.91821 1.000 13.15472 H ? A ? 44 HB 1
   ATOM 895 HG11 . VAL A 45 ? -6.22276 48.18476 14.03284 1.000 16.52557 H ? A ? 44 HG11 1
   ATOM 896 HG12 . VAL A 45 ? -7.22135 46.96340 14.21885 1.000 16.52557 H ? A ? 44 HG12 1
   ATOM 897 HG13 . VAL A 45 ? -5.65699 46.74275 14.38502 1.000 16.52557 H ? A ? 44 HG13 1
   ATOM 898 HG21 . VAL A 45 ? -4.99363 48.47245 11.92848 1.000 12.91769 H ? A ? 44 HG21 1
   ATOM 899 HG22 . VAL A 45 ? -4.20387 47.11302 12.15596 1.000 12.91769 H ? A ? 44 HG22 1
   ATOM 900 HG23 . VAL A 45 ? -4.99401 47.35513 10.79928 1.000 12.91769 H ? A ? 44 HG23 1
   ATOM 901 N . GLU A 46 ? -8.35572 44.29914 12.38596 1.000 12.81470 N ? A ? 45 N 1
   ATOM 902 CA . GLU A 46 ? -9.32057 43.40393 13.04060 1.000 14.57585 C ? A ? 45 CA 1
   ATOM 903 C . GLU A 46 ? -8.70203 42.02918 13.28776 1.000 14.20097 C ? A ? 45 C 1
   ATOM 904 O . GLU A 46 ? -8.89255 41.44197 14.37980 1.000 14.23292 O ? A ? 45 O 1
   ATOM 905 H . GLU A 46 ? -8.61012 44.58431 11.61552 1.000 15.35007 H ? A ? 45 H 1
   ATOM 906 HA . GLU A 46 ? -9.56630 43.78949 13.89609 1.000 17.46345 H ? A ? 45 HA 1
   ATOM 907 CB A GLU A 46 ? -10.60655 43.28544 12.22418 0.514 16.21449 C ? A ? 45 CB 1
   ATOM 908 CG A GLU A 46 ? -11.65149 44.40762 12.47567 0.514 20.15315 C ? A ? 45 CG 1
   ATOM 909 CD A GLU A 46 ? -12.52440 44.13582 13.70229 0.514 26.43328 C ? A ? 45 CD 1
   ATOM 910 OE1 A GLU A 46 ? -12.24130 43.19301 14.42422 0.514 27.25831 O ? A ? 45 OE1 1
   ATOM 911 OE2 A GLU A 46 ? -13.50447 44.86638 13.92832 0.514 32.22089 O ? A ? 45 OE2 1
   ATOM 912 HB2 A GLU A 46 ? -10.37532 43.30946 11.28245 0.514 19.42981 H ? A ? 45 HB2 1
   ATOM 913 HB3 A GLU A 46 ? -11.03029 42.44008 12.44030 0.514 19.42981 H ? A ? 45 HB3 1
   ATOM 914 HG2 A GLU A 46 ? -11.18653 45.24695 12.61792 0.514 24.15621 H ? A ? 45 HG2 1
   ATOM 915 HG3 A GLU A 46 ? -12.23317 44.47747 11.70258 0.514 24.15621 H ? A ? 45 HG3 1
   ATOM 916 CB B GLU A 46 ? -10.60391 43.30137 12.22630 0.486 16.22001 C ? A ? 45 CB 1
   ATOM 917 CG B GLU A 46 ? -11.42045 44.59499 12.26062 0.486 19.73289 C ? A ? 45 CG 1
   ATOM 918 CD B GLU A 46 ? -12.44117 44.67198 11.15924 0.486 22.50555 C ? A ? 45 CD 1
   ATOM 919 OE1 B GLU A 46 ? -12.32400 43.84482 10.23413 0.486 21.70370 O ? A ? 45 OE1 1
   ATOM 920 OE2 B GLU A 46 ? -13.33734 45.55196 11.20513 0.486 21.49914 O ? A ? 45 OE2 1
   ATOM 921 HB2 B GLU A 46 ? -10.37879 43.11075 11.30225 0.486 19.43644 H ? A ? 45 HB2 1
   ATOM 922 HB3 B GLU A 46 ? -11.15283 42.58808 12.58797 0.486 19.43644 H ? A ? 45 HB3 1
   ATOM 923 HG2 B GLU A 46 ? -11.88958 44.64964 13.10786 0.486 23.65190 H ? A ? 45 HG2 1
   ATOM 924 HG3 B GLU A 46 ? -10.81930 45.35021 12.16494 0.486 23.65190 H ? A ? 45 HG3 1
   ATOM 925 N . VAL A 47 ? -7.99322 41.47059 12.32480 1.000 14.08441 N ? A ? 46 N 1
   ATOM 926 CA . VAL A 47 ? -7.25237 40.20824 12.56603 1.000 14.49908 C ? A ? 46 CA 1
   ATOM 927 C . VAL A 47 ? -6.23039 40.39739 13.66684 1.000 12.10744 C ? A ? 46 C 1
   ATOM 928 O . VAL A 47 ? -6.14678 39.54901 14.61114 1.000 12.32027 O ? A ? 46 O 1
   ATOM 929 CB . VAL A 47 ? -6.58290 39.70136 11.27342 1.000 11.67828 C ? A ? 46 CB 1
   ATOM 930 CG1 . VAL A 47 ? -5.69953 38.49324 11.60216 1.000 11.66237 C ? A ? 46 CG1 1
   ATOM 931 CG2 . VAL A 47 ? -7.60308 39.41554 10.29005 1.000 14.86088 C ? A ? 46 CG2 1
   ATOM 932 H . VAL A 47 ? -7.91451 41.78384 11.52776 1.000 16.87373 H ? A ? 46 H 1
   ATOM 933 HA . VAL A 47 ? -7.89350 39.53904 12.85245 1.000 17.37133 H ? A ? 46 HA 1
   ATOM 934 HB . VAL A 47 ? -6.00149 40.37362 10.88493 1.000 13.98636 H ? A ? 46 HB 1
   ATOM 935 HG11 . VAL A 47 ? -5.61448 37.93943 10.81035 1.000 13.96727 H ? A ? 46 HG11 1
   ATOM 936 HG12 . VAL A 47 ? -4.82542 38.80779 11.88126 1.000 13.96727 H ? A ? 46 HG12 1
   ATOM 937 HG13 . VAL A 47 ? -6.11251 37.98555 12.31812 1.000 13.96727 H ? A ? 46 HG13 1
   ATOM 938 HG21 . VAL A 47 ? -7.17671 39.13776 9.46425 1.000 17.80548 H ? A ? 46 HG21 1
   ATOM 939 HG22 . VAL A 47 ? -8.17283 38.70483 10.62349 1.000 17.80548 H ? A ? 46 HG22 1
   ATOM 940 HG23 . VAL A 47 ? -8.12834 40.21669 10.13790 1.000 17.80548 H ? A ? 46 HG23 1
   ATOM 941 N . LEU A 48 ? -5.47472 41.43305 13.66389 1.000 11.06899 N ? A ? 47 N 1
   ATOM 942 CA . LEU A 48 ? -4.44362 41.72489 14.64266 1.000 12.12578 C ? A ? 47 CA 1
   ATOM 943 C . LEU A 48 ? -5.04222 41.90327 16.03552 1.000 11.89032 C ? A ? 47 C 1
   ATOM 944 O . LEU A 48 ? -4.49991 41.38807 17.03718 1.000 12.34190 O ? A ? 47 O 1
   ATOM 945 CB . LEU A 48 ? -3.65424 42.97575 14.23174 1.000 11.35374 C ? A ? 47 CB 1
   ATOM 946 CG . LEU A 48 ? -2.60188 43.35104 15.24942 1.000 11.66118 C ? A ? 47 CG 1
   ATOM 947 CD1 . LEU A 48 ? -1.54368 42.30921 15.43889 1.000 12.72950 C ? A ? 47 CD1 1
   ATOM 948 CD2 . LEU A 48 ? -1.96097 44.70350 14.79091 1.000 13.20374 C ? A ? 47 CD2 1
   ATOM 949 H . LEU A 48 ? -5.52491 42.04802 13.06481 1.000 13.25521 H ? A ? 47 H 1
   ATOM 950 HA . LEU A 48 ? -3.81925 40.98314 14.67231 1.000 14.52337 H ? A ? 47 HA 1
   ATOM 951 HB2 . LEU A 48 ? -3.21068 42.80655 13.38586 1.000 13.59692 H ? A ? 47 HB2 1
   ATOM 952 HB3 . LEU A 48 ? -4.26762 43.72173 14.14132 1.000 13.59692 H ? A ? 47 HB3 1
   ATOM 953 HG . LEU A 48 ? -3.02546 43.43593 16.11791 1.000 13.96585 H ? A ? 47 HG 1
   ATOM 954 HD11 . LEU A 48 ? -0.87582 42.64610 16.05645 1.000 15.24783 H ? A ? 47 HD11 1
   ATOM 955 HD12 . LEU A 48 ? -1.95188 41.50626 15.79881 1.000 15.24783 H ? A ? 47 HD12 1
   ATOM 956 HD13 . LEU A 48 ? -1.13364 42.11596 14.58133 1.000 15.24783 H ? A ? 47 HD13 1
   ATOM 957 HD21 . LEU A 48 ? -1.31254 44.98667 15.45443 1.000 15.81692 H ? A ? 47 HD21 1
   ATOM 958 HD22 . LEU A 48 ? -1.52290 44.57144 13.93560 1.000 15.81692 H ? A ? 47 HD22 1
   ATOM 959 HD23 . LEU A 48 ? -2.65955 45.37099 14.70518 1.000 15.81692 H ? A ? 47 HD23 1
   ATOM 960 N . LYS A 49 ? -6.22978 42.47394 16.13874 1.000 12.20657 N ? A ? 48 N 1
   ATOM 961 CA . LYS A 49 ? -6.98904 42.60234 17.38790 1.000 13.08753 C ? A ? 48 CA 1
   ATOM 962 C . LYS A 49 ? -7.17698 41.20323 17.96984 1.000 12.72395 C ? A ? 48 C 1
   ATOM 963 O . LYS A 49 ? -6.96212 40.97895 19.19209 1.000 12.34382 O ? A ? 48 O 1
   ATOM 964 CB . LYS A 49 ? -8.39161 43.22308 17.05719 1.000 15.13314 C ? A ? 48 CB 1
   ATOM 965 CG . LYS A 49 ? -9.31384 43.21334 18.30128 1.000 19.29609 C ? A ? 48 CG 1
   ATOM 966 CD . LYS A 49 ? -10.56054 43.99122 18.05524 1.000 25.09444 C ? A ? 48 CD 1
   ATOM 967 CE . LYS A 49 ? -11.42669 44.06718 19.36763 1.000 31.83830 C ? A ? 48 CE 1
   ATOM 968 NZ . LYS A 49 ? -12.86530 44.21272 18.99045 1.000 40.22810 N ? A ? 48 NZ 1
   ATOM 969 H . LYS A 49 ? -6.64858 42.81609 15.47005 1.000 14.62031 H ? A ? 48 H 1
   ATOM 970 HA . LYS A 49 ? -6.53246 43.17618 18.02283 1.000 15.67747 H ? A ? 48 HA 1
   ATOM 971 HB2 . LYS A 49 ? -8.27682 44.14152 16.76703 1.000 18.13220 H ? A ? 48 HB2 1
   ATOM 972 HB3 . LYS A 49 ? -8.81603 42.70424 16.35607 1.000 18.13220 H ? A ? 48 HB3 1
   ATOM 973 HG2 . LYS A 49 ? -9.56027 42.29928 18.51262 1.000 23.12774 H ? A ? 48 HG2 1
   ATOM 974 HG3 . LYS A 49 ? -8.84693 43.61304 19.05170 1.000 23.12774 H ? A ? 48 HG3 1
   ATOM 975 HD2 . LYS A 49 ? -10.33273 44.89361 17.78193 1.000 30.08576 H ? A ? 48 HD2 1
   ATOM 976 HD3 . LYS A 49 ? -11.08399 43.55723 17.36347 1.000 30.08576 H ? A ? 48 HD3 1
   ATOM 977 HE2 . LYS A 49 ? -11.31638 43.25382 19.88453 1.000 38.17840 H ? A ? 48 HE2 1
   ATOM 978 HE3 . LYS A 49 ? -11.15954 44.83517 19.89652 1.000 38.17840 H ? A ? 48 HE3 1
   ATOM 979 HZ1 . LYS A 49 ? -13.36398 44.30449 19.72189 1.000 48.24615 H ? A ? 48 HZ1 1
   ATOM 980 HZ2 . LYS A 49 ? -12.97378 44.93013 18.47503 1.000 48.24615 H ? A ? 48 HZ2 1
   ATOM 981 HZ3 . LYS A 49 ? -13.13729 43.49248 18.54394 1.000 48.24615 H ? A ? 48 HZ3 1
   ATOM 982 N . THR A 50 ? -7.76196 40.32318 17.22101 1.000 12.16754 N ? A ? 49 N 1
   ATOM 983 CA . THR A 50 ? -7.98681 38.96326 17.67191 1.000 11.48842 C ? A ? 49 CA 1
   ATOM 984 C . THR A 50 ? -6.71978 38.29402 18.11015 1.000 11.36624 C ? A ? 49 C 1
   ATOM 985 O . THR A 50 ? -6.64377 37.70161 19.24645 1.000 11.96725 O ? A ? 49 O 1
   ATOM 986 CB . THR A 50 ? -8.66363 38.17709 16.55245 1.000 14.23440 C ? A ? 49 CB 1
   ATOM 987 OG1 . THR A 50 ? -9.94190 38.77461 16.24023 1.000 17.60875 O ? A ? 49 OG1 1
   ATOM 988 CG2 . THR A 50 ? -8.83664 36.74760 16.95797 1.000 13.81024 C ? A ? 49 CG2 1
   ATOM 989 H . THR A 50 ? -8.05080 40.47716 16.42574 1.000 14.57348 H ? A ? 49 H 1
   ATOM 990 HA . THR A 50 ? -8.57262 38.98104 18.44484 1.000 13.75853 H ? A ? 49 HA 1
   ATOM 991 HB . THR A 50 ? -8.11368 38.19523 15.75362 1.000 17.05370 H ? A ? 49 HB 1
   ATOM 992 HG1 . THR A 50 ? -9.84761 39.59721 16.09865 1.000 21.10293 H ? A ? 49 HG1 1
   ATOM 993 HG21 . THR A 50 ? -9.49949 36.32041 16.39313 1.000 16.54472 H ? A ? 49 HG21 1
   ATOM 994 HG22 . THR A 50 ? -7.99505 36.27347 16.86952 1.000 16.54472 H ? A ? 49 HG22 1
   ATOM 995 HG23 . THR A 50 ? -9.13049 36.69784 17.88104 1.000 16.54472 H ? A ? 49 HG23 1
   ATOM 996 N A LEU A 51 ? -5.68831 38.38421 17.29523 0.362 10.54798 N ? A ? 50 N 1
   ATOM 997 CA A LEU A 51 ? -4.45925 37.66799 17.58433 0.362 11.77794 C ? A ? 50 CA 1
   ATOM 998 C A LEU A 51 ? -3.73300 38.22223 18.82295 0.362 12.37766 C ? A ? 50 C 1
   ATOM 999 O A LEU A 51 ? -3.12084 37.44327 19.56972 0.362 12.46132 O ? A ? 50 O 1
   ATOM 1000 CB A LEU A 51 ? -3.59285 37.66766 16.32016 0.362 11.59180 C ? A ? 50 CB 1
   ATOM 1001 CG A LEU A 51 ? -3.93010 36.84887 15.08733 0.362 11.04893 C ? A ? 50 CG 1
   ATOM 1002 CD1 A LEU A 51 ? -3.24243 37.25065 13.79173 0.362 10.40188 C ? A ? 50 CD1 1
   ATOM 1003 CD2 A LEU A 51 ? -3.49616 35.45385 15.52937 0.362 9.77602 C ? A ? 50 CD2 1
   ATOM 1004 H A LEU A 51 ? -5.67075 38.84935 16.57209 0.362 12.63000 H ? A ? 50 H 1
   ATOM 1005 HA A LEU A 51 ? -4.64846 36.74278 17.80589 0.362 14.10596 H ? A ? 50 HA 1
   ATOM 1006 HB2 A LEU A 51 ? -3.55324 38.58731 16.01424 0.362 13.88259 H ? A ? 50 HB2 1
   ATOM 1007 HB3 A LEU A 51 ? -2.71055 37.37019 16.59208 0.362 13.88259 H ? A ? 50 HB3 1
   ATOM 1008 HG A LEU A 51 ? -4.86172 36.95051 14.83705 0.362 13.23115 H ? A ? 50 HG 1
   ATOM 1009 HD11 A LEU A 51 ? -3.49378 36.62565 13.09381 0.362 12.45468 H ? A ? 50 HD11 1
   ATOM 1010 HD12 A LEU A 51 ? -3.52335 38.14703 13.54991 0.362 12.45468 H ? A ? 50 HD12 1
   ATOM 1011 HD13 A LEU A 51 ? -2.28178 37.22955 13.92438 0.362 12.45468 H ? A ? 50 HD13 1
   ATOM 1012 HD21 A LEU A 51 ? -3.56217 34.84853 14.77431 0.362 11.70365 H ? A ? 50 HD21 1
   ATOM 1013 HD22 A LEU A 51 ? -2.57903 35.49292 15.84281 0.362 11.70365 H ? A ? 50 HD22 1
   ATOM 1014 HD23 A LEU A 51 ? -4.07794 35.15423 16.24537 0.362 11.70365 H ? A ? 50 HD23 1
   ATOM 1015 N B LEU A 51 ? -5.68849 38.35824 17.28867 0.553 10.56312 N ? A ? 50 N 1
   ATOM 1016 CA B LEU A 51 ? -4.46319 37.64076 17.64056 0.553 11.78941 C ? A ? 50 CA 1
   ATOM 1017 C B LEU A 51 ? -3.85761 38.21152 18.89067 0.553 12.42365 C ? A ? 50 C 1
   ATOM 1018 O B LEU A 51 ? -3.27907 37.49096 19.72605 0.553 12.36671 O ? A ? 50 O 1
   ATOM 1019 CB B LEU A 51 ? -3.43887 37.77621 16.53141 0.553 11.89644 C ? A ? 50 CB 1
   ATOM 1020 CG B LEU A 51 ? -3.86948 37.21234 15.18482 0.553 11.05542 C ? A ? 50 CG 1
   ATOM 1021 CD1 B LEU A 51 ? -2.78459 37.67488 14.14793 0.553 10.89145 C ? A ? 50 CD1 1
   ATOM 1022 CD2 B LEU A 51 ? -4.18071 35.69782 15.18716 0.553 11.97043 C ? A ? 50 CD2 1
   ATOM 1023 H B LEU A 51 ? -5.66545 38.79229 16.54660 0.553 12.64817 H ? A ? 50 H 1
   ATOM 1024 HA B LEU A 51 ? -4.68696 36.70544 17.76706 0.553 14.11972 H ? A ? 50 HA 1
   ATOM 1025 HB2 B LEU A 51 ? -3.24738 38.71866 16.40486 0.553 14.24816 H ? A ? 50 HB2 1
   ATOM 1026 HB3 B LEU A 51 ? -2.63332 37.30709 16.79958 0.553 14.24816 H ? A ? 50 HB3 1
   ATOM 1027 HG B LEU A 51 ? -4.73623 37.55971 14.92217 0.553 13.23893 H ? A ? 50 HG 1
   ATOM 1028 HD11 B LEU A 51 ? -3.00670 37.31296 13.27581 0.553 13.04217 H ? A ? 50 HD11 1
   ATOM 1029 HD12 B LEU A 51 ? -2.77570 38.64415 14.11133 0.553 13.04217 H ? A ? 50 HD12 1
   ATOM 1030 HD13 B LEU A 51 ? -1.91687 37.34658 14.43108 0.553 13.04217 H ? A ? 50 HD13 1
   ATOM 1031 HD21 B LEU A 51 ? -4.39004 35.41704 14.28259 0.553 14.33695 H ? A ? 50 HD21 1
   ATOM 1032 HD22 B LEU A 51 ? -3.40369 35.21624 15.51153 0.553 14.33695 H ? A ? 50 HD22 1
   ATOM 1033 HD23 B LEU A 51 ? -4.93912 35.53217 15.76878 0.553 14.33695 H ? A ? 50 HD23 1
   ATOM 1034 N C LEU A 51 ? -5.71306 38.31188 17.25513 0.085 10.55727 N ? A ? 50 N 1
   ATOM 1035 CA C LEU A 51 ? -4.49455 37.57295 17.51465 0.085 11.79579 C ? A ? 50 CA 1
   ATOM 1036 C C LEU A 51 ? -3.69733 38.16645 18.66724 0.085 12.26165 C ? A ? 50 C 1
   ATOM 1037 O C LEU A 51 ? -2.92416 37.44114 19.31005 0.085 12.36301 O ? A ? 50 O 1
   ATOM 1038 CB C LEU A 51 ? -3.66355 37.51637 16.22901 0.085 11.54343 C ? A ? 50 CB 1
   ATOM 1039 CG C LEU A 51 ? -4.30615 36.93252 14.96844 0.085 11.01483 C ? A ? 50 CG 1
   ATOM 1040 CD1 C LEU A 51 ? -3.37411 37.06830 13.76579 0.085 10.62703 C ? A ? 50 CD1 1
   ATOM 1041 CD2 C LEU A 51 ? -4.65354 35.47825 15.16756 0.085 11.38541 C ? A ? 50 CD2 1
   ATOM 1042 H C LEU A 51 ? -5.71034 38.74656 16.51307 0.085 12.64115 H ? A ? 50 H 1
   ATOM 1043 HA C LEU A 51 ? -4.70605 36.66069 17.76752 0.085 14.12738 H ? A ? 50 HA 1
   ATOM 1044 HB2 C LEU A 51 ? -3.40121 38.42422 16.01020 0.085 13.82455 H ? A ? 50 HB2 1
   ATOM 1045 HB3 C LEU A 51 ? -2.87720 36.97889 16.41250 0.085 13.82455 H ? A ? 50 HB3 1
   ATOM 1046 HG C LEU A 51 ? -5.12026 37.42862 14.78954 0.085 13.19022 H ? A ? 50 HG 1
   ATOM 1047 HD11 C LEU A 51 ? -3.80518 36.68274 12.98706 0.085 12.72486 H ? A ? 50 HD11 1
   ATOM 1048 HD12 C LEU A 51 ? -3.19238 38.00858 13.61167 0.085 12.72486 H ? A ? 50 HD12 1
   ATOM 1049 HD13 C LEU A 51 ? -2.54672 36.59780 13.95277 0.085 12.72486 H ? A ? 50 HD13 1
   ATOM 1050 HD21 C LEU A 51 ? -4.97406 35.11235 14.32834 0.085 13.63493 H ? A ? 50 HD21 1
   ATOM 1051 HD22 C LEU A 51 ? -3.85983 35.00047 15.45506 0.085 13.63493 H ? A ? 50 HD22 1
   ATOM 1052 HD23 C LEU A 51 ? -5.34491 35.40851 15.84434 0.085 13.63493 H ? A ? 50 HD23 1
   ATOM 1053 N A SER A 52 ? -3.82810 39.52858 19.11610 0.362 13.04284 N ? A ? 51 N 1
   ATOM 1054 CA A SER A 52 ? -3.11299 40.19139 20.22550 0.362 12.24296 C ? A ? 51 CA 1
   ATOM 1055 C A SER A 52 ? -3.76245 39.95110 21.58541 0.362 13.05487 C ? A ? 51 C 1
   ATOM 1056 O A SER A 52 ? -3.20720 40.33526 22.64626 0.362 12.64669 O ? A ? 51 O 1
   ATOM 1057 CB A SER A 52 ? -3.07226 41.69356 19.92437 0.362 12.56829 C ? A ? 51 CB 1
   ATOM 1058 OG A SER A 52 ? -2.19040 42.02478 18.86755 0.362 11.45302 O ? A ? 51 OG 1
   ATOM 1059 H A SER A 52 ? -4.31926 40.07672 18.67123 0.362 15.62384 H ? A ? 51 H 1
   ATOM 1060 HA A SER A 52 ? -2.20649 39.85184 20.28765 0.362 14.66399 H ? A ? 51 HA 1
   ATOM 1061 HB2 A SER A 52 ? -3.96566 41.98161 19.67990 0.362 15.05437 H ? A ? 51 HB2 1
   ATOM 1062 HB3 A SER A 52 ? -2.78087 42.15881 20.72408 0.362 15.05437 H ? A ? 51 HB3 1
   ATOM 1063 HG A SER A 52 ? -2.38996 41.58703 18.17896 0.362 13.71605 H ? A ? 51 HG 1
   ATOM 1064 N B SER A 52 ? -3.87871 39.50514 19.03252 0.553 13.06934 N ? A ? 51 N 1
   ATOM 1065 CA B SER A 52 ? -3.13869 40.15353 20.10035 0.553 12.28728 C ? A ? 51 CA 1
   ATOM 1066 C B SER A 52 ? -3.67099 39.80012 21.45568 0.553 13.35798 C ? A ? 51 C 1
   ATOM 1067 O B SER A 52 ? -2.95109 40.05819 22.40687 0.553 13.00816 O ? A ? 51 O 1
   ATOM 1068 CB B SER A 52 ? -3.28746 41.65595 19.92498 0.553 12.57218 C ? A ? 51 CB 1
   ATOM 1069 OG B SER A 52 ? -4.64669 42.00779 20.10553 0.553 14.17210 O ? A ? 51 OG 1
   ATOM 1070 H B SER A 52 ? -4.31433 40.04579 18.52503 0.553 15.65564 H ? A ? 51 H 1
   ATOM 1071 HA B SER A 52 ? -2.20694 39.88796 20.05337 0.553 14.71716 H ? A ? 51 HA 1
   ATOM 1072 HB2 B SER A 52 ? -2.74454 42.11382 20.58565 0.553 15.05905 H ? A ? 51 HB2 1
   ATOM 1073 HB3 B SER A 52 ? -3.00458 41.90668 19.03166 0.553 15.05905 H ? A ? 51 HB3 1
   ATOM 1074 HG B SER A 52 ? -5.07507 41.87308 19.39564 0.553 16.97895 H ? A ? 51 HG 1
   ATOM 1075 N C SER A 52 ? -3.90470 39.44698 18.97904 0.085 13.03548 N ? A ? 51 N 1
   ATOM 1076 CA C SER A 52 ? -3.16237 40.10036 20.05222 0.085 12.34291 C ? A ? 51 CA 1
   ATOM 1077 C C SER A 52 ? -3.64117 39.69763 21.42836 0.085 13.21117 C ? A ? 51 C 1
   ATOM 1078 O C SER A 52 ? -2.86461 39.80119 22.36834 0.085 12.97717 O ? A ? 51 O 1
   ATOM 1079 CB C SER A 52 ? -3.24624 41.62661 19.92331 0.085 12.52065 C ? A ? 51 CB 1
   ATOM 1080 OG C SER A 52 ? -2.49584 42.09112 18.81958 0.085 11.86242 O ? A ? 51 OG 1
   ATOM 1081 H C SER A 52 ? -4.47101 39.95851 18.58252 0.085 15.61501 H ? A ? 51 H 1
   ATOM 1082 HA C SER A 52 ? -2.23093 39.84394 19.96526 0.085 14.78392 H ? A ? 51 HA 1
   ATOM 1083 HB2 C SER A 52 ? -4.17435 41.88071 19.80107 0.085 14.99721 H ? A ? 51 HB2 1
   ATOM 1084 HB3 C SER A 52 ? -2.89580 42.02968 20.73302 0.085 14.99721 H ? A ? 51 HB3 1
   ATOM 1085 HG C SER A 52 ? -1.68423 41.90122 18.92360 0.085 14.20734 H ? A ? 51 HG 1
   ATOM 1086 N . ALA A 53 ? -4.89590 39.27347 21.55847 1.000 11.48149 N ? A ? 52 N 1
   ATOM 1087 CA . ALA A 53 ? -5.46228 38.77742 22.81458 1.000 11.87563 C ? A ? 52 CA 1
   ATOM 1088 C . ALA A 53 ? -5.02392 37.34059 23.11344 1.000 10.59275 C ? A ? 52 C 1
   ATOM 1089 O . ALA A 53 ? -5.25677 36.89704 24.25760 1.000 14.57895 O ? A ? 52 O 1
   ATOM 1090 CB . ALA A 53 ? -6.95879 38.81079 22.75647 1.000 12.53934 C ? A ? 52 CB 1
   ATOM 1091 HA . ALA A 53 ? -5.17478 39.35562 23.53842 1.000 14.22319 H ? A ? 52 HA 1
   ATOM 1092 HB1 . ALA A 53 ? -7.31442 38.53579 23.61600 1.000 15.01964 H ? A ? 52 HB1 1
   ATOM 1093 HB2 . ALA A 53 ? -7.24686 39.71443 22.55310 1.000 15.01964 H ? A ? 52 HB2 1
   ATOM 1094 HB3 . ALA A 53 ? -7.26155 38.20326 22.06354 1.000 15.01964 H ? A ? 52 HB3 1
   ATOM 1095 H A ALA A 53 ? -5.34774 39.08984 20.85015 0.362 13.75022 H ? A ? 52 H 1
   ATOM 1096 H B ALA A 53 ? -5.43440 39.19040 20.89310 0.553 13.75022 H ? A ? 52 H 1
   ATOM 1097 H C ALA A 53 ? -5.46214 39.26161 20.91130 0.085 13.75022 H ? A ? 52 H 1
   ATOM 1098 N A LEU A 54 ? -4.37842 36.62708 22.20812 0.140 11.35841 N ? A ? 53 N 1
   ATOM 1099 CA A LEU A 54 ? -4.14736 35.19994 22.38883 0.140 11.83369 C ? A ? 53 CA 1
   ATOM 1100 C A LEU A 54 ? -2.96371 34.84069 23.29019 0.140 11.10485 C ? A ? 53 C 1
   ATOM 1101 O A LEU A 54 ? -3.11640 34.02470 24.19390 0.140 9.95423 O ? A ? 53 O 1
   ATOM 1102 CB A LEU A 54 ? -4.03055 34.52506 21.00820 0.140 12.58996 C ? A ? 53 CB 1
   ATOM 1103 CG A LEU A 54 ? -5.20161 34.70818 20.03322 0.140 13.05600 C ? A ? 53 CG 1
   ATOM 1104 CD1 A LEU A 54 ? -4.92256 34.03278 18.69862 0.140 12.88026 C ? A ? 53 CD1 1
   ATOM 1105 CD2 A LEU A 54 ? -6.48801 34.17958 20.64736 0.140 13.30643 C ? A ? 53 CD2 1
   ATOM 1106 H A LEU A 54 ? -4.06103 36.94511 21.47483 0.140 13.60252 H ? A ? 53 H 1
   ATOM 1107 HA A LEU A 54 ? -4.90977 34.84829 22.87460 0.140 14.17286 H ? A ? 53 HA 1
   ATOM 1108 HB2 A LEU A 54 ? -3.24126 34.87972 20.56987 0.140 15.08039 H ? A ? 53 HB2 1
   ATOM 1109 HB3 A LEU A 54 ? -3.93005 33.57096 21.15135 0.140 15.08039 H ? A ? 53 HB3 1
   ATOM 1110 HG A LEU A 54 ? -5.31385 35.65562 19.85811 0.140 15.63963 H ? A ? 53 HG 1
   ATOM 1111 HD11 A LEU A 54 ? -5.62389 34.26998 18.07189 0.140 15.42874 H ? A ? 53 HD11 1
   ATOM 1112 HD12 A LEU A 54 ? -4.06393 34.33617 18.36456 0.140 15.42874 H ? A ? 53 HD12 1
   ATOM 1113 HD13 A LEU A 54 ? -4.90614 33.07164 18.82841 0.140 15.42874 H ? A ? 53 HD13 1
   ATOM 1114 HD21 A LEU A 54 ? -7.18347 34.17813 19.97117 0.140 15.94014 H ? A ? 53 HD21 1
   ATOM 1115 HD22 A LEU A 54 ? -6.33698 33.27682 20.96847 0.140 15.94014 H ? A ? 53 HD22 1
   ATOM 1116 HD23 A LEU A 54 ? -6.74520 34.75440 21.38515 0.140 15.94014 H ? A ? 53 HD23 1
   ATOM 1117 N B LEU A 54 ? -4.38650 36.64379 22.27272 0.860 11.36623 N ? A ? 53 N 1
   ATOM 1118 CA B LEU A 54 ? -4.16473 35.23336 22.40447 0.860 11.75176 C ? A ? 53 CA 1
   ATOM 1119 C B LEU A 54 ? -2.92614 34.72697 23.13042 0.860 10.94708 C ? A ? 53 C 1
   ATOM 1120 O B LEU A 54 ? -3.03889 33.69614 23.83487 0.860 10.10994 O ? A ? 53 O 1
   ATOM 1121 CB B LEU A 54 ? -4.24860 34.48410 21.07629 0.860 12.78965 C ? A ? 53 CB 1
   ATOM 1122 CG B LEU A 54 ? -5.53033 34.62465 20.26894 0.860 13.87530 C ? A ? 53 CG 1
   ATOM 1123 CD1 B LEU A 54 ? -5.38515 33.87269 18.97254 0.860 14.41615 C ? A ? 53 CD1 1
   ATOM 1124 CD2 B LEU A 54 ? -6.71096 34.09127 21.04756 0.860 14.17535 C ? A ? 53 CD2 1
   ATOM 1125 H B LEU A 54 ? -4.03777 36.96797 21.55655 0.860 13.61190 H ? A ? 53 H 1
   ATOM 1126 HA B LEU A 54 ? -4.89800 35.02494 23.00429 0.860 14.07455 H ? A ? 53 HA 1
   ATOM 1127 HB2 B LEU A 54 ? -3.52556 34.79968 20.51191 0.860 15.32002 H ? A ? 53 HB2 1
   ATOM 1128 HB3 B LEU A 54 ? -4.13620 33.53867 21.26183 0.860 15.32002 H ? A ? 53 HB3 1
   ATOM 1129 HG B LEU A 54 ? -5.69526 35.56175 20.08042 0.860 16.62279 H ? A ? 53 HG 1
   ATOM 1130 HD11 B LEU A 54 ? -6.20155 33.97005 18.45785 0.860 17.27181 H ? A ? 53 HD11 1
   ATOM 1131 HD12 B LEU A 54 ? -4.63607 34.23915 18.47708 0.860 17.27181 H ? A ? 53 HD12 1
   ATOM 1132 HD13 B LEU A 54 ? -5.22648 32.93572 19.16700 0.860 17.27181 H ? A ? 53 HD13 1
   ATOM 1133 HD21 B LEU A 54 ? -7.46624 33.99164 20.44712 0.860 16.98286 H ? A ? 53 HD21 1
   ATOM 1134 HD22 B LEU A 54 ? -6.47539 33.23081 21.42837 0.860 16.98286 H ? A ? 53 HD22 1
   ATOM 1135 HD23 B LEU A 54 ? -6.93128 34.71702 21.75522 0.860 16.98286 H ? A ? 53 HD23 1
   ATOM 1136 N . PRO A 55 ? -1.78116 35.39523 23.09614 1.000 10.57246 N ? A ? 54 N 1
   ATOM 1137 CA . PRO A 55 ? -0.60398 34.77166 23.68743 1.000 10.40481 C ? A ? 54 CA 1
   ATOM 1138 C . PRO A 55 ? -0.75971 34.60198 25.16918 1.000 11.29657 C ? A ? 54 C 1
   ATOM 1139 O . PRO A 55 ? -0.11416 33.71260 25.72117 1.000 11.16021 O ? A ? 54 O 1
   ATOM 1140 CB . PRO A 55 ? 0.53118 35.74592 23.34126 1.000 11.09593 C ? A ? 54 CB 1
   ATOM 1141 CG . PRO A 55 ? 0.05254 36.44074 22.00645 1.000 11.30203 C ? A ? 54 CG 1
   ATOM 1142 CD . PRO A 55 ? -1.47855 36.62146 22.28559 1.000 11.83916 C ? A ? 54 CD 1
   ATOM 1143 HA . PRO A 55 ? -0.41752 33.91843 23.26539 1.000 12.45821 H ? A ? 54 HA 1
   ATOM 1144 HB2 . PRO A 55 ? 0.64203 36.39508 24.05344 1.000 13.28754 H ? A ? 54 HB2 1
   ATOM 1145 HB3 . PRO A 55 ? 1.35868 35.25854 23.20485 1.000 13.28754 H ? A ? 54 HB3 1
   ATOM 1146 HG2 . PRO A 55 ? 0.49870 37.29294 21.88156 1.000 13.53486 H ? A ? 54 HG2 1
   ATOM 1147 HG3 . PRO A 55 ? 0.21363 35.86666 21.24135 1.000 13.53486 H ? A ? 54 HG3 1
   ATOM 1148 HD2 . PRO A 55 ? -1.65093 37.43014 22.79275 1.000 14.17942 H ? A ? 54 HD2 1
   ATOM 1149 HD3 . PRO A 55 ? -1.98802 36.63253 21.46023 1.000 14.17942 H ? A ? 54 HD3 1
   ATOM 1150 N . TRP A 56 ? -1.40849 35.55536 25.86577 1.000 10.98212 N ? A ? 55 N 1
   ATOM 1151 CA . TRP A 56 ? -1.20302 35.74036 27.29187 1.000 11.97816 C ? A ? 55 CA 1
   ATOM 1152 C . TRP A 56 ? -1.67470 34.54001 28.11299 1.000 11.21509 C ? A ? 55 C 1
   ATOM 1153 O . TRP A 56 ? -1.03272 34.18056 29.14326 1.000 13.25781 O ? A ? 55 O 1
   ATOM 1154 CB . TRP A 56 ? -1.75631 37.14437 27.76495 1.000 12.64015 C ? A ? 55 CB 1
   ATOM 1155 CG . TRP A 56 ? -1.45569 38.15671 26.69655 1.000 12.11956 C ? A ? 55 CG 1
   ATOM 1156 CD1 . TRP A 56 ? -2.39492 38.77114 25.90303 1.000 13.99603 C ? A ? 55 CD1 1
   ATOM 1157 CD2 . TRP A 56 ? -0.19319 38.46307 26.12796 1.000 11.65517 C ? A ? 55 CD2 1
   ATOM 1158 NE1 . TRP A 56 ? -1.77546 39.48030 24.94778 1.000 12.13101 N ? A ? 55 NE1 1
   ATOM 1159 CE2 . TRP A 56 ? -0.43052 39.26501 24.98882 1.000 12.05868 C ? A ? 55 CE2 1
   ATOM 1160 CE3 . TRP A 56 ? 1.14084 38.08056 26.38174 1.000 12.04983 C ? A ? 55 CE3 1
   ATOM 1161 CZ2 . TRP A 56 ? 0.58560 39.71298 24.19799 1.000 11.92973 C ? A ? 55 CZ2 1
   ATOM 1162 CZ3 . TRP A 56 ? 2.14161 38.55215 25.58668 1.000 11.88570 C ? A ? 55 CZ3 1
   ATOM 1163 CH2 . TRP A 56 ? 1.83635 39.33166 24.47310 1.000 11.89347 C ? A ? 55 CH2 1
   ATOM 1164 H . TRP A 56 ? -1.97401 36.10578 25.52396 1.000 13.15098 H ? A ? 55 H 1
   ATOM 1165 HA . TRP A 56 ? -0.25266 35.79059 27.47947 1.000 14.34623 H ? A ? 55 HA 1
   ATOM 1166 HB2 . TRP A 56 ? -2.71607 37.09613 27.89696 1.000 15.14061 H ? A ? 55 HB2 1
   ATOM 1167 HB3 . TRP A 56 ? -1.32110 37.41257 28.58931 1.000 15.14061 H ? A ? 55 HB3 1
   ATOM 1168 HD1 . TRP A 56 ? -3.31623 38.70542 26.01153 1.000 16.76766 H ? A ? 55 HD1 1
   ATOM 1169 HE1 . TRP A 56 ? -2.17182 39.99858 24.38753 1.000 14.52964 H ? A ? 55 HE1 1
   ATOM 1170 HE3 . TRP A 56 ? 1.33625 37.50890 27.08878 1.000 14.43222 H ? A ? 55 HE3 1
   ATOM 1171 HZ2 . TRP A 56 ? 0.41093 40.27530 23.47813 1.000 14.28811 H ? A ? 55 HZ2 1
   ATOM 1172 HZ3 . TRP A 56 ? 3.02784 38.35387 25.78715 1.000 14.23527 H ? A ? 55 HZ3 1
   ATOM 1173 HH2 . TRP A 56 ? 2.52357 39.59446 23.90426 1.000 14.24459 H ? A ? 55 HH2 1
   ATOM 1174 N . ALA A 57 ? -2.71105 33.89020 27.65590 1.000 11.97414 N ? A ? 56 N 1
   ATOM 1175 CA . ALA A 57 ? -3.28698 32.76268 28.36193 1.000 11.60459 C ? A ? 56 CA 1
   ATOM 1176 C . ALA A 57 ? -2.43850 31.55252 28.19449 1.000 12.98177 C ? A ? 56 C 1
   ATOM 1177 O . ALA A 57 ? -2.63353 30.55719 28.91409 1.000 13.13007 O ? A ? 56 O 1
   ATOM 1178 CB . ALA A 57 ? -4.63411 32.41814 27.84282 1.000 15.25963 C ? A ? 56 CB 1
   ATOM 1179 H . ALA A 57 ? -3.11539 34.08082 26.92121 1.000 14.34140 H ? A ? 56 H 1
   ATOM 1180 HA . ALA A 57 ? -3.37989 33.01067 29.29508 1.000 13.89794 H ? A ? 56 HA 1
   ATOM 1181 HB1 . ALA A 57 ? -4.96357 31.63664 28.31357 1.000 18.28399 H ? A ? 56 HB1 1
   ATOM 1182 HB2 . ALA A 57 ? -5.23067 33.16874 27.98982 1.000 18.28399 H ? A ? 56 HB2 1
   ATOM 1183 HB3 . ALA A 57 ? -4.56798 32.22911 26.89372 1.000 18.28399 H ? A ? 56 HB3 1
   ATOM 1184 N . ALA A 58 ? -1.40145 31.55420 27.35232 1.000 11.70469 N ? A ? 57 N 1
   ATOM 1185 CA . ALA A 58 ? -0.44531 30.47960 27.22043 1.000 10.16579 C ? A ? 57 CA 1
   ATOM 1186 C . ALA A 58 ? 0.85475 30.70621 28.00816 1.000 9.60471 C ? A ? 57 C 1
   ATOM 1187 O . ALA A 58 ? 1.82846 30.00220 27.79775 1.000 11.05097 O ? A ? 57 O 1
   ATOM 1188 CB . ALA A 58 ? -0.17749 30.22227 25.75067 1.000 10.34341 C ? A ? 57 CB 1
   ATOM 1189 H . ALA A 58 ? -1.23047 32.20887 26.82149 1.000 14.01806 H ? A ? 57 H 1
   ATOM 1190 HA . ALA A 58 ? -0.83307 29.67407 27.59681 1.000 12.17138 H ? A ? 57 HA 1
   ATOM 1191 HB1 . ALA A 58 ? 0.51580 29.54876 25.66920 1.000 12.38452 H ? A ? 57 HB1 1
   ATOM 1192 HB2 . ALA A 58 ? -0.99397 29.90898 25.33102 1.000 12.38452 H ? A ? 57 HB2 1
   ATOM 1193 HB3 . ALA A 58 ? 0.11308 31.04825 25.33328 1.000 12.38452 H ? A ? 57 HB3 1
   ATOM 1194 N . PHE A 59 ? 0.82215 31.64460 28.94776 1.000 11.77879 N ? A ? 58 N 1
   ATOM 1195 CA . PHE A 59 ? 1.89503 31.75528 29.91775 1.000 11.34297 C ? A ? 58 CA 1
   ATOM 1196 C . PHE A 59 ? 1.33868 31.39754 31.30695 1.000 13.54943 C ? A ? 58 C 1
   ATOM 1197 O . PHE A 59 ? 1.58477 32.14071 32.27559 1.000 13.86898 O ? A ? 58 O 1
   ATOM 1198 H . PHE A 59 ? 0.19169 32.22233 29.03919 1.000 14.10698 H ? A ? 58 H 1
   ATOM 1199 HA . PHE A 59 ? 2.61443 31.14897 29.68164 1.000 13.58399 H ? A ? 58 HA 1
   ATOM 1200 CB A PHE A 59 ? 2.50805 33.17299 29.92859 0.590 12.93561 C ? A ? 58 CB 1
   ATOM 1201 CG A PHE A 59 ? 3.28893 33.62027 28.63113 0.590 11.53795 C ? A ? 58 CG 1
   ATOM 1202 CD1 A PHE A 59 ? 2.62830 34.16530 27.51082 0.590 12.06433 C ? A ? 58 CD1 1
   ATOM 1203 CD2 A PHE A 59 ? 4.63841 33.56231 28.57603 0.590 11.86829 C ? A ? 58 CD2 1
   ATOM 1204 CE1 A PHE A 59 ? 3.35801 34.60321 26.34811 0.590 11.18260 C ? A ? 58 CE1 1
   ATOM 1205 CE2 A PHE A 59 ? 5.35566 34.02288 27.44806 0.590 12.26470 C ? A ? 58 CE2 1
   ATOM 1206 CZ A PHE A 59 ? 4.70415 34.54829 26.32158 0.590 10.82796 C ? A ? 58 CZ 1
   ATOM 1207 HB2 A PHE A 59 ? 1.78846 33.81011 30.05961 0.590 15.49516 H ? A ? 58 HB2 1
   ATOM 1208 HB3 A PHE A 59 ? 3.13447 33.22345 30.66747 0.590 15.49516 H ? A ? 58 HB3 1
   ATOM 1209 HD1 A PHE A 59 ? 1.70169 34.24379 27.52270 0.590 14.44962 H ? A ? 58 HD1 1
   ATOM 1210 HD2 A PHE A 59 ? 5.10683 33.21058 29.29836 0.590 14.21438 H ? A ? 58 HD2 1
   ATOM 1211 HE1 A PHE A 59 ? 2.89557 34.92681 25.60897 0.590 13.39155 H ? A ? 58 HE1 1
   ATOM 1212 HE2 A PHE A 59 ? 6.28449 33.97640 27.45272 0.590 14.69007 H ? A ? 58 HE2 1
   ATOM 1213 HZ A PHE A 59 ? 5.18411 34.84775 25.58344 0.590 12.96598 H ? A ? 58 HZ 1
   ATOM 1214 CB B PHE A 59 ? 2.46138 33.15513 29.98889 0.410 12.89818 C ? A ? 58 CB 1
   ATOM 1215 CG B PHE A 59 ? 3.10411 33.60911 28.73785 0.410 11.64099 C ? A ? 58 CG 1
   ATOM 1216 CD1 B PHE A 59 ? 2.36941 34.24325 27.78538 0.410 11.88620 C ? A ? 58 CD1 1
   ATOM 1217 CD2 B PHE A 59 ? 4.43644 33.43527 28.54511 0.410 11.55282 C ? A ? 58 CD2 1
   ATOM 1218 CE1 B PHE A 59 ? 2.95551 34.69364 26.63493 0.410 11.06613 C ? A ? 58 CE1 1
   ATOM 1219 CE2 B PHE A 59 ? 5.04349 33.90358 27.41598 0.410 11.75653 C ? A ? 58 CE2 1
   ATOM 1220 CZ B PHE A 59 ? 4.28313 34.53970 26.42260 0.410 11.17850 C ? A ? 58 CZ 1
   ATOM 1221 HB2 B PHE A 59 ? 1.74060 33.77208 30.19073 0.410 15.45024 H ? A ? 58 HB2 1
   ATOM 1222 HB3 B PHE A 59 ? 3.12977 33.18461 30.69124 0.410 15.45024 H ? A ? 58 HB3 1
   ATOM 1223 HD1 B PHE A 59 ? 1.45796 34.37211 27.91791 0.410 14.23587 H ? A ? 58 HD1 1
   ATOM 1224 HD2 B PHE A 59 ? 4.94075 32.99257 29.18899 0.410 13.83582 H ? A ? 58 HD2 1
   ATOM 1225 HE1 B PHE A 59 ? 2.43386 35.11206 25.98863 0.410 13.25179 H ? A ? 58 HE1 1
   ATOM 1226 HE2 B PHE A 59 ? 5.96112 33.80114 27.30485 0.410 14.08027 H ? A ? 58 HE2 1
   ATOM 1227 HZ B PHE A 59 ? 4.68067 34.84697 25.64001 0.410 13.38663 H ? A ? 58 HZ 1
   ATOM 1228 N . GLY A 60 ? 0.50584 30.41421 31.39176 1.000 12.52664 N ? A ? 59 N 1
   ATOM 1229 CA . GLY A 60 ? -0.09845 30.02464 32.63904 1.000 15.65913 C ? A ? 59 CA 1
   ATOM 1230 C . GLY A 60 ? 0.88267 29.34145 33.56982 1.000 15.47343 C ? A ? 59 C 1
   ATOM 1231 O . GLY A 60 ? 2.06346 29.25960 33.28901 1.000 15.81769 O ? A ? 59 O 1
   ATOM 1232 H . GLY A 60 ? 0.25886 29.93308 30.72309 1.000 15.00440 H ? A ? 59 H 1
   ATOM 1233 HA2 . GLY A 60 ? -0.44623 30.81181 33.08660 1.000 18.76339 H ? A ? 59 HA2 1
   ATOM 1234 HA3 . GLY A 60 ? -0.82984 29.41212 32.46358 1.000 18.76339 H ? A ? 59 HA3 1
   ATOM 1235 N . PRO A 61 ? 0.42749 29.08778 34.81440 1.000 20.57473 N ? A ? 60 N 1
   ATOM 1236 CA . PRO A 61 ? 1.31571 28.49142 35.79689 1.000 21.04063 C ? A ? 60 CA 1
   ATOM 1237 C . PRO A 61 ? 2.04049 27.28633 35.30609 1.000 12.80640 C ? A ? 60 C 1
   ATOM 1238 O . PRO A 61 ? 1.44367 26.44536 34.73610 1.000 19.16224 O ? A ? 60 O 1
   ATOM 1239 CB . PRO A 61 ? 0.39166 28.18375 36.99687 1.000 24.40776 C ? A ? 60 CB 1
   ATOM 1240 CG . PRO A 61 ? -0.67011 29.27980 36.86008 1.000 21.66072 C ? A ? 60 CG 1
   ATOM 1241 CD . PRO A 61 ? -0.86997 29.44050 35.43440 1.000 18.29754 C ? A ? 60 CD 1
   ATOM 1242 HA . PRO A 61 ? 1.97925 29.14870 36.05879 1.000 25.22118 H ? A ? 60 HA 1
   ATOM 1243 HB2 . PRO A 61 ? 0.00567 27.29765 36.91475 1.000 29.26175 H ? A ? 60 HB2 1
   ATOM 1244 HB3 . PRO A 61 ? 0.87824 28.25750 37.83276 1.000 29.26175 H ? A ? 60 HB3 1
   ATOM 1245 HG2 . PRO A 61 ? -1.49076 28.99988 37.29491 1.000 25.96530 H ? A ? 60 HG2 1
   ATOM 1246 HG3 . PRO A 61 ? -0.34741 30.10300 37.25897 1.000 25.96530 H ? A ? 60 HG3 1
   ATOM 1247 HD2 . PRO A 61 ? -1.56682 28.84244 35.12193 1.000 21.92948 H ? A ? 60 HD2 1
   ATOM 1248 HD3 . PRO A 61 ? -1.10387 30.35897 35.22797 1.000 21.92948 H ? A ? 60 HD3 1
   ATOM 1249 N . GLY A 62 ? 3.33142 27.30934 35.51149 1.000 20.09953 N ? A ? 61 N 1
   ATOM 1250 CA . GLY A 62 ? 4.10165 26.08989 35.20600 1.000 23.31470 C ? A ? 61 CA 1
   ATOM 1251 C . GLY A 62 ? 4.58119 25.95219 33.75189 1.000 21.80125 C ? A ? 61 C 1
   ATOM 1252 O . GLY A 62 ? 4.93667 24.85995 33.34017 1.000 20.98478 O ? A ? 61 O 1
   ATOM 1253 H . GLY A 62 ? 3.78134 27.97769 35.81228 1.000 24.09187 H ? A ? 61 H 1
   ATOM 1254 HA2 . GLY A 62 ? 4.88650 26.07130 35.77570 1.000 27.95008 H ? A ? 61 HA2 1
   ATOM 1255 HA3 . GLY A 62 ? 3.54819 25.31870 35.40562 1.000 27.95008 H ? A ? 61 HA3 1
   ATOM 1256 N . THR A 63 ? 4.29957 26.95369 32.90834 1.000 17.01826 N ? A ? 62 N 1
   ATOM 1257 CA . THR A 63 ? 4.61939 27.01307 31.49000 1.000 14.06614 C ? A ? 62 CA 1
   ATOM 1258 C . THR A 63 ? 5.90202 27.67889 31.20717 1.000 15.02336 C ? A ? 62 C 1
   ATOM 1259 O . THR A 63 ? 6.08264 28.02612 30.04373 1.000 13.09248 O ? A ? 62 O 1
   ATOM 1260 CB . THR A 63 ? 3.43505 27.53206 30.65777 1.000 15.19744 C ? A ? 62 CB 1
   ATOM 1261 OG1 . THR A 63 ? 3.32148 28.88636 30.85950 1.000 13.25056 O ? A ? 62 OG1 1
   ATOM 1262 CG2 . THR A 63 ? 2.22017 26.80192 30.90507 1.000 15.91601 C ? A ? 62 CG2 1
   ATOM 1263 H . THR A 63 ? 3.88943 27.66562 33.16239 1.000 20.39435 H ? A ? 62 H 1
   ATOM 1264 HA . THR A 63 ? 4.74820 26.10571 31.17219 1.000 16.85180 H ? A ? 62 HA 1
   ATOM 1265 HB . THR A 63 ? 3.59236 27.38336 29.71224 1.000 18.20936 H ? A ? 62 HB 1
   ATOM 1266 HG1 . THR A 63 ? 2.64340 29.18042 30.46033 1.000 15.87310 H ? A ? 62 HG1 1
   ATOM 1267 HG21 . THR A 63 ? 1.51156 27.13288 30.33128 1.000 19.07165 H ? A ? 62 HG21 1
   ATOM 1268 HG22 . THR A 63 ? 2.35720 25.85886 30.72407 1.000 19.07165 H ? A ? 62 HG22 1
   ATOM 1269 HG23 . THR A 63 ? 1.95139 26.90896 31.83092 1.000 19.07165 H ? A ? 62 HG23 1
   ATOM 1270 N . GLU A 64 ? 6.86409 27.62647 32.08709 1.000 15.01061 N ? A ? 63 N 1
   ATOM 1271 CA . GLU A 64 ? 8.17594 28.15118 31.84962 1.000 12.31518 C ? A ? 63 CA 1
   ATOM 1272 C . GLU A 64 ? 8.81665 27.35418 30.71388 1.000 14.59396 C ? A ? 63 C 1
   ATOM 1273 O . GLU A 64 ? 8.54498 26.15947 30.58403 1.000 14.24969 O ? A ? 63 O 1
   ATOM 1274 CB . GLU A 64 ? 8.94934 27.96138 33.16847 1.000 15.02593 C ? A ? 63 CB 1
   ATOM 1275 CG . GLU A 64 ? 8.48910 28.80809 34.41266 1.000 16.42495 C ? A ? 63 CG 1
   ATOM 1276 CD . GLU A 64 ? 7.19065 28.37397 35.03340 1.000 12.75086 C ? A ? 63 CD 1
   ATOM 1277 OE1 . GLU A 64 ? 6.65601 27.33172 34.90421 1.000 17.60907 O ? A ? 63 OE1 1
   ATOM 1278 OE2 . GLU A 64 ? 6.52599 29.19328 35.73493 1.000 18.98037 O ? A ? 63 OE2 1
   ATOM 1279 H . GLU A 64 ? 6.77980 27.27532 32.86760 1.000 17.98516 H ? A ? 63 H 1
   ATOM 1280 HA . GLU A 64 ? 8.18416 29.08703 31.59465 1.000 14.75064 H ? A ? 63 HA 1
   ATOM 1281 HB2 . GLU A 64 ? 8.87689 27.02824 33.42323 1.000 18.00354 H ? A ? 63 HB2 1
   ATOM 1282 HB3 . GLU A 64 ? 9.87767 28.18911 33.00342 1.000 18.00354 H ? A ? 63 HB3 1
   ATOM 1283 HG2 . GLU A 64 ? 9.17334 28.74489 35.09730 1.000 19.68237 H ? A ? 63 HG2 1
   ATOM 1284 HG3 . GLU A 64 ? 8.38302 29.73107 34.13383 1.000 19.68237 H ? A ? 63 HG3 1
   ATOM 1285 N . GLY A 65 ? 9.46788 28.07833 29.83629 1.000 13.61386 N ? A ? 64 N 1
   ATOM 1286 CA . GLY A 65 ? 10.05523 27.45974 28.66859 1.000 15.30557 C ? A ? 64 CA 1
   ATOM 1287 C . GLY A 65 ? 10.25164 28.46937 27.56065 1.000 14.30285 C ? A ? 64 C 1
   ATOM 1288 O . GLY A 65 ? 9.92143 29.67012 27.66977 1.000 15.72835 O ? A ? 64 O 1
   ATOM 1289 H . GLY A 65 ? 9.58545 28.92852 29.89067 1.000 16.30907 H ? A ? 64 H 1
   ATOM 1290 HA2 . GLY A 65 ? 10.91724 27.07930 28.89904 1.000 18.33911 H ? A ? 64 HA2 1
   ATOM 1291 HA3 . GLY A 65 ? 9.47425 26.75313 28.34601 1.000 18.33911 H ? A ? 64 HA3 1
   ATOM 1292 N . GLY A 66 ? 10.73660 27.96233 26.43894 1.000 14.69427 N ? A ? 65 N 1
   ATOM 1293 CA . GLY A 66 ? 10.90631 28.91041 25.34747 1.000 14.96264 C ? A ? 65 CA 1
   ATOM 1294 C . GLY A 66 ? 11.86293 30.04130 25.65607 1.000 23.03340 C ? A ? 65 C 1
   ATOM 1295 O . GLY A 66 ? 12.82844 29.87764 26.39270 1.000 21.14266 O ? A ? 65 O 1
   ATOM 1296 H . GLY A 66 ? 10.95705 27.14375 26.29427 1.000 17.60556 H ? A ? 65 H 1
   ATOM 1297 HA2 . GLY A 66 ? 11.24341 28.43831 24.57004 1.000 17.92760 H ? A ? 65 HA2 1
   ATOM 1298 HA3 . GLY A 66 ? 10.04435 29.29937 25.13154 1.000 17.92760 H ? A ? 65 HA3 1
   ATOM 1299 N . ASP A 67 ? 11.59267 31.21401 25.08618 1.000 16.76588 N ? A ? 66 N 1
   ATOM 1300 CA . ASP A 67 ? 12.33599 32.42160 25.41078 1.000 16.82478 C ? A ? 66 CA 1
   ATOM 1301 C . ASP A 67 ? 11.66172 33.24824 26.44853 1.000 19.11690 C ? A ? 66 C 1
   ATOM 1302 O . ASP A 67 ? 11.96001 34.43346 26.55138 1.000 21.18251 O ? A ? 66 O 1
   ATOM 1303 CB . ASP A 67 ? 12.50376 33.23006 24.10604 1.000 19.07584 C ? A ? 66 CB 1
   ATOM 1304 CG . ASP A 67 ? 13.23153 32.46159 23.01178 1.000 24.60972 C ? A ? 66 CG 1
   ATOM 1305 OD1 . ASP A 67 ? 14.13969 31.61598 23.32339 1.000 27.49136 O ? A ? 66 OD1 1
   ATOM 1306 OD2 . ASP A 67 ? 12.92682 32.65546 21.77071 1.000 29.05053 O ? A ? 66 OD2 1
   ATOM 1307 H . ASP A 67 ? 10.97404 31.33332 24.50081 1.000 20.09149 H ? A ? 66 H 1
   ATOM 1308 HA . ASP A 67 ? 13.20763 32.18835 25.76677 1.000 20.16217 H ? A ? 66 HA 1
   ATOM 1309 HB2 . ASP A 67 ? 11.62594 33.46840 23.76910 1.000 22.86344 H ? A ? 66 HB2 1
   ATOM 1310 HB3 . ASP A 67 ? 13.01483 34.03209 24.29697 1.000 22.86344 H ? A ? 66 HB3 1
   ATOM 1311 N . ALA A 68 ? 10.74687 32.71745 27.20336 1.000 15.83549 N ? A ? 67 N 1
   ATOM 1312 CA . ALA A 68 ? 10.08069 33.51012 28.22458 1.000 17.28910 C ? A ? 67 CA 1
   ATOM 1313 C . ALA A 68 ? 10.93323 33.58594 29.50579 1.000 17.76856 C ? A ? 67 C 1
   ATOM 1314 O . ALA A 68 ? 11.38189 32.54134 30.03359 1.000 20.60045 O ? A ? 67 O 1
   ATOM 1315 CB . ALA A 68 ? 8.83914 32.82284 28.64345 1.000 15.57613 C ? A ? 67 CB 1
   ATOM 1316 H . ALA A 68 ? 10.48385 31.90011 27.15454 1.000 18.97502 H ? A ? 67 H 1
   ATOM 1317 HA . ALA A 68 ? 9.91989 34.39308 27.85658 1.000 20.71935 H ? A ? 67 HA 1
   ATOM 1318 HB1 . ALA A 68 ? 8.44428 33.30808 29.38476 1.000 18.66379 H ? A ? 67 HB1 1
   ATOM 1319 HB2 . ALA A 68 ? 8.22192 32.80207 27.89545 1.000 18.66379 H ? A ? 67 HB2 1
   ATOM 1320 HB3 . ALA A 68 ? 9.05626 31.91831 28.91836 1.000 18.66379 H ? A ? 67 HB3 1
   ATOM 1321 N A ARG A 69 ? 11.15463 34.79136 30.02199 0.339 17.21956 N ? A ? 68 N 1
   ATOM 1322 CA A ARG A 69 ? 11.90260 34.93087 31.26979 0.339 17.56148 C ? A ? 68 CA 1
   ATOM 1323 C A ARG A 69 ? 11.03910 34.53066 32.47282 0.339 19.86073 C ? A ? 68 C 1
   ATOM 1324 O A ARG A 69 ? 9.81734 34.73907 32.48115 0.339 17.84062 O ? A ? 68 O 1
   ATOM 1325 CB A ARG A 69 ? 12.36204 36.38024 31.41967 0.339 22.11347 C ? A ? 68 CB 1
   ATOM 1326 CG A ARG A 69 ? 13.50262 36.75357 30.48761 0.339 22.73918 C ? A ? 68 CG 1
   ATOM 1327 CD A ARG A 69 ? 14.04281 38.17795 30.78062 0.339 25.84231 C ? A ? 68 CD 1
   ATOM 1328 NE A ARG A 69 ? 15.19615 38.57488 29.98796 0.339 27.19826 N ? A ? 68 NE 1
   ATOM 1329 CZ A ARG A 69 ? 16.47170 38.26205 30.25262 0.339 30.24475 C ? A ? 68 CZ 1
   ATOM 1330 NH1 A ARG A 69 ? 16.79017 37.45080 31.24097 0.339 26.76638 N ? A ? 68 NH1 1
   ATOM 1331 NH2 A ARG A 69 ? 17.43480 38.74663 29.49908 0.339 34.47370 N ? A ? 68 NH2 1
   ATOM 1332 H A ARG A 69 ? 10.88783 35.53241 29.67664 0.339 20.63591 H ? A ? 68 H 1
   ATOM 1333 HA A ARG A 69 ? 12.67782 34.34791 31.26034 0.339 21.04621 H ? A ? 68 HA 1
   ATOM 1334 HB2 A ARG A 69 ? 11.61467 36.96706 31.22478 0.339 26.50859 H ? A ? 68 HB2 1
   ATOM 1335 HB3 A ARG A 69 ? 12.66471 36.51985 32.33060 0.339 26.50859 H ? A ? 68 HB3 1
   ATOM 1336 HG2 A ARG A 69 ? 14.23047 36.12295 30.60364 0.339 27.25945 H ? A ? 68 HG2 1
   ATOM 1337 HG3 A ARG A 69 ? 13.18722 36.73111 29.57059 0.339 27.25945 H ? A ? 68 HG3 1
   ATOM 1338 HD2 A ARG A 69 ? 13.33534 38.81746 30.60339 0.339 30.98320 H ? A ? 68 HD2 1
   ATOM 1339 HD3 A ARG A 69 ? 14.30355 38.22183 31.71389 0.339 30.98320 H ? A ? 68 HD3 1
   ATOM 1340 HE A ARG A 69 ? 15.04612 39.05202 29.28837 0.339 32.61035 H ? A ? 68 HE 1
   ATOM 1341 HH11 A ARG A 69 ? 16.17291 37.10933 31.73289 0.339 32.09208 H ? A ? 68 HH11 1
   ATOM 1342 HH12 A ARG A 69 ? 17.61529 37.26280 31.39409 0.339 32.09208 H ? A ? 68 HH12 1
   ATOM 1343 HH21 A ARG A 69 ? 17.24507 39.26311 28.83813 0.339 41.34087 H ? A ? 68 HH21 1
   ATOM 1344 HH22 A ARG A 69 ? 18.25420 38.54698 29.66736 0.339 41.34087 H ? A ? 68 HH22 1
   ATOM 1345 N B ARG A 69 ? 11.16167 34.79176 30.01472 0.306 17.24392 N ? A ? 68 N 1
   ATOM 1346 CA B ARG A 69 ? 11.90072 34.93614 31.26759 0.306 17.59458 C ? A ? 68 CA 1
   ATOM 1347 C B ARG A 69 ? 11.03796 34.51648 32.46625 0.306 19.85408 C ? A ? 68 C 1
   ATOM 1348 O B ARG A 69 ? 9.81478 34.69879 32.46520 0.306 17.85130 O ? A ? 68 O 1
   ATOM 1349 CB B ARG A 69 ? 12.33103 36.39174 31.45065 0.306 22.09600 C ? A ? 68 CB 1
   ATOM 1350 CG B ARG A 69 ? 13.45413 36.81511 30.52240 0.306 22.73802 C ? A ? 68 CG 1
   ATOM 1351 CD B ARG A 69 ? 14.20184 38.06403 31.06151 0.306 26.08784 C ? A ? 68 CD 1
   ATOM 1352 NE B ARG A 69 ? 15.27943 38.51925 30.18879 0.306 27.18022 N ? A ? 68 NE 1
   ATOM 1353 CZ B ARG A 69 ? 15.29171 39.68437 29.54972 0.306 28.60296 C ? A ? 68 CZ 1
   ATOM 1354 NH1 B ARG A 69 ? 14.30239 40.55479 29.67451 0.306 26.53462 N ? A ? 68 NH1 1
   ATOM 1355 NH2 B ARG A 69 ? 16.32050 39.98140 28.75591 0.306 31.51580 N ? A ? 68 NH2 1
   ATOM 1356 H B ARG A 69 ? 10.90439 35.53244 29.66146 0.306 20.66513 H ? A ? 68 H 1
   ATOM 1357 HA B ARG A 69 ? 12.68574 34.36686 31.24365 0.306 21.08593 H ? A ? 68 HA 1
   ATOM 1358 HB2 B ARG A 69 ? 11.56951 36.96679 31.27656 0.306 26.48763 H ? A ? 68 HB2 1
   ATOM 1359 HB3 B ARG A 69 ? 12.63774 36.51440 32.36268 0.306 26.48763 H ? A ? 68 HB3 1
   ATOM 1360 HG2 B ARG A 69 ? 14.09301 36.08987 30.44021 0.306 27.25805 H ? A ? 68 HG2 1
   ATOM 1361 HG3 B ARG A 69 ? 13.08589 37.03310 29.65190 0.306 27.25805 H ? A ? 68 HG3 1
   ATOM 1362 HD2 B ARG A 69 ? 13.56822 38.79250 31.15503 0.306 31.27784 H ? A ? 68 HD2 1
   ATOM 1363 HD3 B ARG A 69 ? 14.58974 37.84892 31.92416 0.306 31.27784 H ? A ? 68 HD3 1
   ATOM 1364 HE B ARG A 69 ? 15.95388 37.99677 30.08049 0.306 32.58869 H ? A ? 68 HE 1
   ATOM 1365 HH11 B ARG A 69 ? 13.63016 40.37230 30.17890 0.306 31.81397 H ? A ? 68 HH11 1
   ATOM 1366 HH12 B ARG A 69 ? 14.33183 41.30282 29.25121 0.306 31.81397 H ? A ? 68 HH12 1
   ATOM 1367 HH21 B ARG A 69 ? 16.96664 39.42171 28.66183 0.306 37.79139 H ? A ? 68 HH21 1
   ATOM 1368 HH22 B ARG A 69 ? 16.33812 40.73273 28.33783 0.306 37.79139 H ? A ? 68 HH22 1
   ATOM 1369 N C ARG A 69 ? 11.17373 34.79137 30.01444 0.355 17.24362 N ? A ? 68 N 1
   ATOM 1370 CA C ARG A 69 ? 11.92505 34.93565 31.26364 0.355 17.59160 C ? A ? 68 CA 1
   ATOM 1371 C C ARG A 69 ? 11.05265 34.55175 32.47165 0.355 19.86503 C ? A ? 68 C 1
   ATOM 1372 O C ARG A 69 ? 9.83746 34.78178 32.47501 0.355 17.86565 O ? A ? 68 O 1
   ATOM 1373 CB C ARG A 69 ? 12.41548 36.38447 31.39152 0.355 22.12776 C ? A ? 68 CB 1
   ATOM 1374 CG C ARG A 69 ? 13.43641 36.79101 30.34257 0.355 22.72828 C ? A ? 68 CG 1
   ATOM 1375 CD C ARG A 69 ? 13.89210 38.28562 30.43314 0.355 25.49605 C ? A ? 68 CD 1
   ATOM 1376 NE C ARG A 69 ? 15.09377 38.42694 31.25107 0.355 28.51708 N ? A ? 68 NE 1
   ATOM 1377 CZ C ARG A 69 ? 15.77953 39.55242 31.42650 0.355 32.69533 C ? A ? 68 CZ 1
   ATOM 1378 NH1 C ARG A 69 ? 15.40910 40.68832 30.84972 0.355 30.76851 N ? A ? 68 NH1 1
   ATOM 1379 NH2 C ARG A 69 ? 16.85856 39.53913 32.20822 0.355 34.60046 N ? A ? 68 NH2 1
   ATOM 1380 H C ARG A 69 ? 10.91768 35.53333 29.66296 0.355 20.66477 H ? A ? 68 H 1
   ATOM 1381 HA C ARG A 69 ? 12.69364 34.34391 31.26700 0.355 21.08235 H ? A ? 68 HA 1
   ATOM 1382 HB2 C ARG A 69 ? 11.65340 36.97849 31.30622 0.355 26.52575 H ? A ? 68 HB2 1
   ATOM 1383 HB3 C ARG A 69 ? 12.82769 36.49660 32.26238 0.355 26.52575 H ? A ? 68 HB3 1
   ATOM 1384 HG2 C ARG A 69 ? 14.22594 36.23716 30.44649 0.355 27.24636 H ? A ? 68 HG2 1
   ATOM 1385 HG3 C ARG A 69 ? 13.04942 36.65544 29.46351 0.355 27.24636 H ? A ? 68 HG3 1
   ATOM 1386 HD2 C ARG A 69 ? 14.08786 38.61667 29.54265 0.355 30.56769 H ? A ? 68 HD2 1
   ATOM 1387 HD3 C ARG A 69 ? 13.18479 38.81367 30.83535 0.355 30.56769 H ? A ? 68 HD3 1
   ATOM 1388 HE C ARG A 69 ? 15.38191 37.72328 31.65286 0.355 34.19293 H ? A ? 68 HE 1
   ATOM 1389 HH11 C ARG A 69 ? 14.71049 40.70825 30.34856 0.355 36.89464 H ? A ? 68 HH11 1
   ATOM 1390 HH12 C ARG A 69 ? 15.86758 41.40469 30.97698 0.355 36.89464 H ? A ? 68 HH12 1
   ATOM 1391 HH21 C ARG A 69 ? 17.10299 38.80903 32.59137 0.355 41.49298 H ? A ? 68 HH21 1
   ATOM 1392 HH22 C ARG A 69 ? 17.31053 40.26064 32.32958 0.355 41.49298 H ? A ? 68 HH22 1
   ATOM 1393 N . PRO A 70 ? 11.65880 33.98311 33.55030 1.000 17.82218 N ? A ? 69 N 1
   ATOM 1394 CA . PRO A 70 ? 10.89026 33.55587 34.69084 1.000 17.29673 C ? A ? 69 CA 1
   ATOM 1395 C . PRO A 70 ? 10.20807 34.63633 35.41485 1.000 12.11903 C ? A ? 69 C 1
   ATOM 1396 O . PRO A 70 ? 9.16197 34.40542 36.01805 1.000 17.02831 O ? A ? 69 O 1
   ATOM 1397 CB . PRO A 70 ? 11.95073 32.94330 35.63096 1.000 16.18524 C ? A ? 69 CB 1
   ATOM 1398 CG . PRO A 70 ? 13.27275 33.13379 34.92217 1.000 20.92492 C ? A ? 69 CG 1
   ATOM 1399 CD . PRO A 70 ? 13.04245 33.46807 33.54242 1.000 21.86715 C ? A ? 69 CD 1
   ATOM 1400 HA . PRO A 70 ? 10.25001 32.89304 34.38812 1.000 20.72851 H ? A ? 69 HA 1
   ATOM 1401 HB2 . PRO A 70 ? 11.94420 33.40932 36.48165 1.000 19.39472 H ? A ? 69 HB2 1
   ATOM 1402 HB3 . PRO A 70 ? 11.76410 32.00124 35.76731 1.000 19.39472 H ? A ? 69 HB3 1
   ATOM 1403 HG2 . PRO A 70 ? 13.75831 33.85167 35.35781 1.000 25.08234 H ? A ? 69 HG2 1
   ATOM 1404 HG3 . PRO A 70 ? 13.77843 32.30809 34.98048 1.000 25.08234 H ? A ? 69 HG3 1
   ATOM 1405 HD2 . PRO A 70 ? 13.66392 34.15006 33.24314 1.000 26.21301 H ? A ? 69 HD2 1
   ATOM 1406 HD3 . PRO A 70 ? 13.11594 32.68196 32.97892 1.000 26.21301 H ? A ? 69 HD3 1
   ATOM 1407 N . GLU A 71 ? 10.66368 35.86298 35.28535 1.000 18.38154 N ? A ? 70 N 1
   ATOM 1408 CA . GLU A 71 ? 10.01211 37.01192 35.90619 1.000 20.82972 C ? A ? 70 CA 1
   ATOM 1409 C . GLU A 71 ? 8.60338 37.27505 35.33986 1.000 15.88878 C ? A ? 70 C 1
   ATOM 1410 O . GLU A 71 ? 7.80438 37.93847 35.98173 1.000 18.67673 O ? A ? 70 O 1
   ATOM 1411 CB . GLU A 71 ? 10.87781 38.22847 35.55972 1.000 28.40241 C ? A ? 70 CB 1
   ATOM 1412 CG . GLU A 71 ? 12.22217 38.35008 36.32490 1.000 31.00172 C ? A ? 70 CG 1
   ATOM 1413 CD . GLU A 71 ? 13.31142 37.43607 35.80464 1.000 31.72139 C ? A ? 70 CD 1
   ATOM 1414 OE1 . GLU A 71 ? 14.23685 37.06017 36.58156 1.000 41.30380 O ? A ? 70 OE1 1
   ATOM 1415 OE2 . GLU A 71 ? 13.23867 37.02668 34.64526 1.000 24.97987 O ? A ? 70 OE2 1
   ATOM 1416 H . GLU A 71 ? 11.36526 36.07143 34.83376 1.000 22.03028 H ? A ? 70 H 1
   ATOM 1417 HA . GLU A 71 ? 9.93001 36.87161 36.86247 1.000 24.96810 H ? A ? 70 HA 1
   ATOM 1418 HB2 . GLU A 71 ? 11.08951 38.18977 34.61390 1.000 34.05532 H ? A ? 70 HB2 1
   ATOM 1419 HB3 . GLU A 71 ? 10.36549 39.02926 35.75253 1.000 34.05532 H ? A ? 70 HB3 1
   ATOM 1420 HG2 . GLU A 71 ? 12.54211 39.26266 36.24914 1.000 37.17450 H ? A ? 70 HG2 1
   ATOM 1421 HG3 . GLU A 71 ? 12.07115 38.12777 37.25693 1.000 37.17450 H ? A ? 70 HG3 1
   ATOM 1422 N . ILE A 72 ? 8.22796 36.69669 34.17860 1.000 16.42986 N ? A ? 71 N 1
   ATOM 1423 CA . ILE A 72 ? 6.82459 36.75422 33.81567 1.000 16.17481 C ? A ? 71 CA 1
   ATOM 1424 C . ILE A 72 ? 5.90443 36.23216 34.87984 1.000 15.87328 C ? A ? 71 C 1
   ATOM 1425 O . ILE A 72 ? 4.81519 36.74651 35.08721 1.000 17.35426 O ? A ? 71 O 1
   ATOM 1426 CB . ILE A 72 ? 6.66040 35.95740 32.46703 1.000 15.19054 C ? A ? 71 CB 1
   ATOM 1427 CG1 . ILE A 72 ? 7.39850 36.64132 31.29755 1.000 15.02497 C ? A ? 71 CG1 1
   ATOM 1428 CG2 . ILE A 72 ? 5.20711 35.64777 32.18306 1.000 14.10759 C ? A ? 71 CG2 1
   ATOM 1429 CD1 . ILE A 72 ? 7.34414 35.86114 30.01056 1.000 15.40119 C ? A ? 71 CD1 1
   ATOM 1430 H . ILE A 72 ? 8.74693 36.29175 33.62517 1.000 19.68826 H ? A ? 71 H 1
   ATOM 1431 HA . ILE A 72 ? 6.57236 37.68473 33.70880 1.000 19.38221 H ? A ? 71 HA 1
   ATOM 1432 HB . ILE A 72 ? 7.09887 35.09869 32.57309 1.000 18.20108 H ? A ? 71 HB 1
   ATOM 1433 HG12 . ILE A 72 ? 6.99329 37.50778 31.13645 1.000 18.00239 H ? A ? 71 HG12 1
   ATOM 1434 HG13 . ILE A 72 ? 8.33163 36.75112 31.53862 1.000 18.00239 H ? A ? 71 HG13 1
   ATOM 1435 HG21 . ILE A 72 ? 5.12657 35.31532 31.27538 1.000 16.90154 H ? A ? 71 HG21 1
   ATOM 1436 HG22 . ILE A 72 ? 4.89916 34.97499 32.81029 1.000 16.90154 H ? A ? 71 HG22 1
   ATOM 1437 HG23 . ILE A 72 ? 4.68547 36.45911 32.28567 1.000 16.90154 H ? A ? 71 HG23 1
   ATOM 1438 HD11 . ILE A 72 ? 8.22245 35.86933 29.59896 1.000 18.45386 H ? A ? 71 HD11 1
   ATOM 1439 HD12 . ILE A 72 ? 7.07861 34.94875 30.20533 1.000 18.45386 H ? A ? 71 HD12 1
   ATOM 1440 HD13 . ILE A 72 ? 6.69717 36.27453 29.41774 1.000 18.45386 H ? A ? 71 HD13 1
   ATOM 1441 N A TRP A 73 ? 6.32802 35.19796 35.61515 0.479 16.75320 N ? A ? 72 N 1
   ATOM 1442 CA A TRP A 73 ? 5.51155 34.44920 36.56623 0.479 17.26269 C ? A ? 72 CA 1
   ATOM 1443 C A TRP A 73 ? 5.57707 34.99023 38.01272 0.479 18.79923 C ? A ? 72 C 1
   ATOM 1444 O A TRP A 73 ? 4.57567 34.99686 38.74043 0.479 18.24019 O ? A ? 72 O 1
   ATOM 1445 CB A TRP A 73 ? 6.05633 32.99837 36.52016 0.479 17.42603 C ? A ? 72 CB 1
   ATOM 1446 CG A TRP A 73 ? 5.57658 32.31775 35.25546 0.479 15.80517 C ? A ? 72 CG 1
   ATOM 1447 CD1 A TRP A 73 ? 4.40817 31.63342 35.13770 0.479 16.45607 C ? A ? 72 CD1 1
   ATOM 1448 CD2 A TRP A 73 ? 6.27809 32.18536 34.00357 0.479 15.34163 C ? A ? 72 CD2 1
   ATOM 1449 NE1 A TRP A 73 ? 4.30269 31.10805 33.82122 0.479 15.82560 N ? A ? 72 NE1 1
   ATOM 1450 CE2 A TRP A 73 ? 5.43869 31.45287 33.12165 0.479 13.71640 C ? A ? 72 CE2 1
   ATOM 1451 CE3 A TRP A 73 ? 7.52044 32.62441 33.53089 0.479 14.44661 C ? A ? 72 CE3 1
   ATOM 1452 CZ2 A TRP A 73 ? 5.78316 31.15076 31.83399 0.479 12.73374 C ? A ? 72 CZ2 1
   ATOM 1453 CZ3 A TRP A 73 ? 7.86083 32.33348 32.17352 0.479 13.96486 C ? A ? 72 CZ3 1
   ATOM 1454 CH2 A TRP A 73 ? 6.95805 31.61583 31.34580 0.479 12.57600 C ? A ? 72 CH2 1
   ATOM 1455 H A TRP A 73 ? 7.13212 34.89540 35.57670 0.479 20.07627 H ? A ? 72 H 1
   ATOM 1456 HA A TRP A 73 ? 4.57377 34.49038 36.32176 0.479 20.68766 H ? A ? 72 HA 1
   ATOM 1457 HB2 A TRP A 73 ? 7.02624 33.01184 36.52071 0.479 20.88367 H ? A ? 72 HB2 1
   ATOM 1458 HB3 A TRP A 73 ? 5.73101 32.50117 37.28688 0.479 20.88367 H ? A ? 72 HB3 1
   ATOM 1459 HD1 A TRP A 73 ? 3.77709 31.52585 35.81229 0.479 19.71972 H ? A ? 72 HD1 1
   ATOM 1460 HE1 A TRP A 73 ? 3.64169 30.65210 33.51336 0.479 18.96315 H ? A ? 72 HE1 1
   ATOM 1461 HE3 A TRP A 73 ? 8.10597 33.09078 34.08276 0.479 17.30836 H ? A ? 72 HE3 1
   ATOM 1462 HZ2 A TRP A 73 ? 5.22084 30.63499 31.30232 0.479 15.25292 H ? A ? 72 HZ2 1
   ATOM 1463 HZ3 A TRP A 73 ? 8.67799 32.61581 31.83081 0.479 16.73026 H ? A ? 72 HZ3 1
   ATOM 1464 HH2 A TRP A 73 ? 7.17652 31.46264 30.45490 0.479 15.06363 H ? A ? 72 HH2 1
   ATOM 1465 N B TRP A 73 ? 6.36169 35.17121 35.58620 0.521 16.76745 N ? A ? 72 N 1
   ATOM 1466 CA B TRP A 73 ? 5.66408 34.53257 36.69592 0.521 17.38331 C ? A ? 72 CA 1
   ATOM 1467 C B TRP A 73 ? 6.03867 35.09875 38.06828 0.521 18.90949 C ? A ? 72 C 1
   ATOM 1468 O B TRP A 73 ? 5.16866 35.24734 38.91437 0.521 20.33769 O ? A ? 72 O 1
   ATOM 1469 CB B TRP A 73 ? 5.89156 32.99740 36.65960 0.521 17.53151 C ? A ? 72 CB 1
   ATOM 1470 CG B TRP A 73 ? 5.21515 32.36507 35.43343 0.521 15.94695 C ? A ? 72 CG 1
   ATOM 1471 CD1 B TRP A 73 ? 3.98086 31.84430 35.35499 0.521 15.94607 C ? A ? 72 CD1 1
   ATOM 1472 CD2 B TRP A 73 ? 5.84839 32.09805 34.21906 0.521 15.47324 C ? A ? 72 CD2 1
   ATOM 1473 NE1 B TRP A 73 ? 3.75331 31.31621 34.07411 0.521 15.20564 N ? A ? 72 NE1 1
   ATOM 1474 CE2 B TRP A 73 ? 4.90255 31.50194 33.35411 0.521 13.28105 C ? A ? 72 CE2 1
   ATOM 1475 CE3 B TRP A 73 ? 7.09994 32.40940 33.71184 0.521 13.78160 C ? A ? 72 CE3 1
   ATOM 1476 CZ2 B TRP A 73 ? 5.20926 31.14036 32.03907 0.521 12.57485 C ? A ? 72 CZ2 1
   ATOM 1477 CZ3 B TRP A 73 ? 7.40727 32.06293 32.37673 0.521 13.55135 C ? A ? 72 CZ3 1
   ATOM 1478 CH2 B TRP A 73 ? 6.43447 31.49244 31.54261 0.521 11.39269 C ? A ? 72 CH2 1
   ATOM 1479 H B TRP A 73 ? 7.11600 34.79162 35.42329 0.521 20.09337 H ? A ? 72 H 1
   ATOM 1480 HA B TRP A 73 ? 4.71260 34.68726 36.58791 0.521 20.83241 H ? A ? 72 HA 1
   ATOM 1481 HB2 B TRP A 73 ? 6.84296 32.81397 36.61397 0.521 21.01024 H ? A ? 72 HB2 1
   ATOM 1482 HB3 B TRP A 73 ? 5.51447 32.59712 37.45865 0.521 21.01024 H ? A ? 72 HB3 1
   ATOM 1483 HD1 B TRP A 73 ? 3.36361 31.83456 36.05055 0.521 19.10772 H ? A ? 72 HD1 1
   ATOM 1484 HE1 B TRP A 73 ? 3.02901 30.94611 33.79479 0.521 18.21920 H ? A ? 72 HE1 1
   ATOM 1485 HE3 B TRP A 73 ? 7.72949 32.84082 34.24329 0.521 16.51035 H ? A ? 72 HE3 1
   ATOM 1486 HZ2 B TRP A 73 ? 4.59772 30.67366 31.51648 0.521 15.06226 H ? A ? 72 HZ2 1
   ATOM 1487 HZ3 B TRP A 73 ? 8.26372 32.21478 32.04758 0.521 16.23405 H ? A ? 72 HZ3 1
   ATOM 1488 HH2 B TRP A 73 ? 6.62429 31.35214 30.64306 0.521 13.64366 H ? A ? 72 HH2 1
   ATOM 1489 N A SER A 74 ? 6.74492 35.38986 38.42760 0.479 13.67408 N ? A ? 73 N 1
   ATOM 1490 CA A SER A 74 ? 7.00872 35.89276 39.76827 0.479 16.72481 C ? A ? 73 CA 1
   ATOM 1491 C A SER A 74 ? 6.69675 37.36583 39.86911 0.479 18.69030 C ? A ? 73 C 1
   ATOM 1492 O A SER A 74 ? 6.39255 37.84325 40.97009 0.479 16.25882 O ? A ? 73 O 1
   ATOM 1493 CB A SER A 74 ? 8.45663 35.64105 40.14757 0.479 19.07316 C ? A ? 73 CB 1
   ATOM 1494 OG A SER A 74 ? 9.30920 36.34775 39.30746 0.479 14.43667 O ? A ? 73 OG 1
   ATOM 1495 H A SER A 74 ? 7.44905 35.38465 37.93386 0.479 16.38133 H ? A ? 73 H 1
   ATOM 1496 HA A SER A 74 ? 6.46545 35.41701 40.41590 0.479 20.04220 H ? A ? 73 HA 1
   ATOM 1497 HB2 A SER A 74 ? 8.60006 35.93112 41.06201 0.479 22.86022 H ? A ? 73 HB2 1
   ATOM 1498 HB3 A SER A 74 ? 8.64555 34.69307 40.06674 0.479 22.86022 H ? A ? 73 HB3 1
   ATOM 1499 HG A SER A 74 ? 10.10769 36.14610 39.47282 0.479 17.29644 H ? A ? 73 HG 1
   ATOM 1500 N B SER A 74 ? 7.27316 35.49968 38.23533 0.521 14.98194 N ? A ? 73 N 1
   ATOM 1501 CA B SER A 74 ? 7.68399 36.00021 39.55230 0.521 18.13040 C ? A ? 73 CA 1
   ATOM 1502 C B SER A 74 ? 7.26653 37.44397 39.76530 0.521 18.58720 C ? A ? 73 C 1
   ATOM 1503 O B SER A 74 ? 7.50573 37.98539 40.85541 0.521 21.88416 O ? A ? 73 O 1
   ATOM 1504 CB B SER A 74 ? 9.19236 35.84915 39.70801 0.521 18.72098 C ? A ? 73 CB 1
   ATOM 1505 OG B SER A 74 ? 10.06094 36.63361 38.94680 0.521 19.31258 O ? A ? 73 OG 1
   ATOM 1506 H B SER A 74 ? 7.88418 35.49794 37.63014 0.521 17.95076 H ? A ? 73 H 1
   ATOM 1507 HA B SER A 74 ? 7.27070 35.47015 40.25168 0.521 21.72892 H ? A ? 73 HA 1
   ATOM 1508 HB2 B SER A 74 ? 9.39474 36.03487 40.63831 0.521 22.43761 H ? A ? 73 HB2 1
   ATOM 1509 HB3 B SER A 74 ? 9.40094 34.92468 39.50128 0.521 22.43761 H ? A ? 73 HB3 1
   ATOM 1510 HG B SER A 74 ? 10.85368 36.50716 39.19411 0.521 23.14753 H ? A ? 73 HG 1
   ATOM 1511 N . ASP A 75 ? 6.66510 38.08238 38.72844 1.000 18.34772 N ? A ? 74 N 1
   ATOM 1512 CA . ASP A 75 ? 6.31684 39.50553 38.71110 1.000 23.66564 C ? A ? 74 CA 1
   ATOM 1513 C . ASP A 75 ? 5.01792 39.52007 37.87553 1.000 19.88346 C ? A ? 74 C 1
   ATOM 1514 O . ASP A 75 ? 4.87483 40.25918 36.87353 1.000 19.01489 O ? A ? 74 O 1
   ATOM 1515 CB . ASP A 75 ? 7.38485 40.40556 38.07737 1.000 25.05564 C ? A ? 74 CB 1
   ATOM 1516 CG . ASP A 75 ? 8.71871 40.46869 38.89139 1.000 26.41262 C ? A ? 74 CG 1
   ATOM 1517 OD1 . ASP A 75 ? 8.71772 40.23280 40.18142 1.000 24.84710 O ? A ? 74 OD1 1
   ATOM 1518 OD2 . ASP A 75 ? 9.75010 40.67090 38.19995 1.000 26.71027 O ? A ? 74 OD2 1
   ATOM 1519 HA . ASP A 75 ? 6.22336 39.85374 39.61160 1.000 28.37120 H ? A ? 74 HA 1
   ATOM 1520 HB2 . ASP A 75 ? 7.59394 40.06683 37.19281 1.000 30.03919 H ? A ? 74 HB2 1
   ATOM 1521 HB3 . ASP A 75 ? 7.03473 41.30786 38.01289 1.000 30.03919 H ? A ? 74 HB3 1
   ATOM 1522 H A ASP A 75 ? 6.84307 37.76040 37.95110 0.479 21.98970 H ? A ? 74 H 1
   ATOM 1523 H B ASP A 75 ? 6.44449 37.68481 37.99846 0.521 21.98970 H ? A ? 74 H 1
   ATOM 1524 N . ALA A 76 ? 3.98232 38.79861 38.32145 1.000 19.80071 N ? A ? 75 N 1
   ATOM 1525 CA . ALA A 76 ? 2.79950 38.61928 37.47714 1.000 23.45142 C ? A ? 75 CA 1
   ATOM 1526 C . ALA A 76 ? 2.07205 39.94927 37.22242 1.000 24.73205 C ? A ? 75 C 1
   ATOM 1527 O . ALA A 76 ? 1.62081 40.20308 36.09083 1.000 19.31120 O ? A ? 75 O 1
   ATOM 1528 CB . ALA A 76 ? 1.85339 37.56838 38.06480 1.000 24.22749 C ? A ? 75 CB 1
   ATOM 1529 H . ALA A 76 ? 3.94151 38.41297 39.08905 1.000 23.73328 H ? A ? 75 H 1
   ATOM 1530 HA . ALA A 76 ? 3.09563 38.28091 36.61766 1.000 28.11413 H ? A ? 75 HA 1
   ATOM 1531 HB1 . ALA A 76 ? 1.08019 37.48051 37.48572 1.000 29.04542 H ? A ? 75 HB1 1
   ATOM 1532 HB2 . ALA A 76 ? 2.32069 36.72040 38.12360 1.000 29.04542 H ? A ? 75 HB2 1
   ATOM 1533 HB3 . ALA A 76 ? 1.57394 37.85405 38.94865 1.000 29.04542 H ? A ? 75 HB3 1
   ATOM 1534 N . ALA A 77 ? 1.90623 40.79556 38.23680 1.000 20.63149 N ? A ? 76 N 1
   ATOM 1535 CA . ALA A 77 ? 1.16426 42.02468 38.01246 1.000 18.94273 C ? A ? 76 CA 1
   ATOM 1536 C . ALA A 77 ? 1.89530 42.93512 37.05304 1.000 18.33564 C ? A ? 76 C 1
   ATOM 1537 O . ALA A 77 ? 1.24603 43.61681 36.23025 1.000 19.42926 O ? A ? 76 O 1
   ATOM 1538 CB . ALA A 77 ? 0.95659 42.72128 39.36687 1.000 21.39779 C ? A ? 76 CB 1
   ATOM 1539 H . ALA A 77 ? 2.20399 40.68297 39.03572 1.000 24.73022 H ? A ? 76 H 1
   ATOM 1540 HA . ALA A 77 ? 0.29912 41.82283 37.62297 1.000 22.70371 H ? A ? 76 HA 1
   ATOM 1541 HB1 . ALA A 77 ? 0.46898 43.54780 39.22541 1.000 25.64978 H ? A ? 76 HB1 1
   ATOM 1542 HB2 . ALA A 77 ? 0.45018 42.13406 39.94964 1.000 25.64978 H ? A ? 76 HB2 1
   ATOM 1543 HB3 . ALA A 77 ? 1.82260 42.91132 39.76032 1.000 25.64978 H ? A ? 76 HB3 1
   ATOM 1544 N A SER A 78 ? 3.22944 42.95811 37.08474 0.427 19.44015 N ? A ? 77 N 1
   ATOM 1545 CA A SER A 78 ? 3.95580 43.84405 36.19351 0.427 21.68000 C ? A ? 77 CA 1
   ATOM 1546 C A SER A 78 ? 3.86537 43.34445 34.75726 0.427 19.77416 C ? A ? 77 C 1
   ATOM 1547 O A SER A 78 ? 3.47404 44.09978 33.85787 0.427 19.26559 O ? A ? 77 O 1
   ATOM 1548 CB A SER A 78 ? 5.41611 43.91357 36.62462 0.427 22.76214 C ? A ? 77 CB 1
   ATOM 1549 OG A SER A 78 ? 5.52671 44.70095 37.82190 0.427 18.53417 O ? A ? 77 OG 1
   ATOM 1550 H A SER A 78 ? 3.72139 42.47958 37.60300 0.427 23.30061 H ? A ? 77 H 1
   ATOM 1551 HA A SER A 78 ? 3.57210 44.73359 36.24240 0.427 25.98843 H ? A ? 77 HA 1
   ATOM 1552 HB2 A SER A 78 ? 5.74239 43.01687 36.79888 0.427 27.28700 H ? A ? 77 HB2 1
   ATOM 1553 HB3 A SER A 78 ? 5.93959 44.32594 35.91976 0.427 27.28700 H ? A ? 77 HB3 1
   ATOM 1554 HG A SER A 78 ? 6.33505 44.79593 38.02965 0.427 22.21344 H ? A ? 77 HG 1
   ATOM 1555 N B SER A 78 ? 3.22757 42.95341 37.07383 0.573 19.40402 N ? A ? 77 N 1
   ATOM 1556 CA B SER A 78 ? 3.95233 43.80849 36.15061 0.573 21.68994 C ? A ? 77 CA 1
   ATOM 1557 C B SER A 78 ? 3.86399 43.27785 34.71969 0.573 19.75909 C ? A ? 77 C 1
   ATOM 1558 O B SER A 78 ? 3.88166 44.07221 33.74816 0.573 19.70331 O ? A ? 77 O 1
   ATOM 1559 CB B SER A 78 ? 5.42480 43.77636 36.54348 0.573 22.71033 C ? A ? 77 CB 1
   ATOM 1560 OG B SER A 78 ? 6.23758 44.56086 35.70734 0.573 31.12364 O ? A ? 77 OG 1
   ATOM 1561 H B SER A 78 ? 3.72145 42.48879 37.60281 0.573 23.25725 H ? A ? 77 H 1
   ATOM 1562 HA B SER A 78 ? 3.58900 44.70695 36.19151 0.573 26.00036 H ? A ? 77 HA 1
   ATOM 1563 HB2 B SER A 78 ? 5.50714 44.10928 37.45083 0.573 27.22482 H ? A ? 77 HB2 1
   ATOM 1564 HB3 B SER A 78 ? 5.73415 42.85816 36.49764 0.573 27.22482 H ? A ? 77 HB3 1
   ATOM 1565 HG B SER A 78 ? 5.99109 45.36331 35.73773 0.573 37.32080 H ? A ? 77 HG 1
   ATOM 1566 N A PHE A 79 ? 4.20390 42.06393 34.53015 0.427 18.64389 N ? A ? 78 N 1
   ATOM 1567 CA A PHE A 79 ? 4.03396 41.50674 33.18572 0.427 18.09228 C ? A ? 78 CA 1
   ATOM 1568 C A PHE A 79 ? 2.64664 41.82552 32.66568 0.427 16.60872 C ? A ? 78 C 1
   ATOM 1569 O A PHE A 79 ? 2.53575 42.27764 31.51021 0.427 13.93594 O ? A ? 78 O 1
   ATOM 1570 CB A PHE A 79 ? 4.36428 39.99980 33.14091 0.427 17.12502 C ? A ? 78 CB 1
   ATOM 1571 CG A PHE A 79 ? 4.24194 39.37745 31.77311 0.427 13.43400 C ? A ? 78 CG 1
   ATOM 1572 CD1 A PHE A 79 ? 5.27783 39.49007 30.83404 0.427 13.61754 C ? A ? 78 CD1 1
   ATOM 1573 CD2 A PHE A 79 ? 3.14335 38.64976 31.45506 0.427 13.71699 C ? A ? 78 CD2 1
   ATOM 1574 CE1 A PHE A 79 ? 5.16587 38.89990 29.57265 0.427 12.15549 C ? A ? 78 CE1 1
   ATOM 1575 CE2 A PHE A 79 ? 3.01873 38.08016 30.17497 0.427 13.48065 C ? A ? 78 CE2 1
   ATOM 1576 CZ A PHE A 79 ? 4.08281 38.19012 29.26746 0.427 12.14631 C ? A ? 78 CZ 1
   ATOM 1577 H A PHE A 79 ? 4.52137 41.52079 35.11651 0.427 22.34510 H ? A ? 78 H 1
   ATOM 1578 HA A PHE A 79 ? 4.67850 41.91155 32.58439 0.427 21.68317 H ? A ? 78 HA 1
   ATOM 1579 HB2 A PHE A 79 ? 5.27844 39.87415 33.43995 0.427 20.52245 H ? A ? 78 HB2 1
   ATOM 1580 HB3 A PHE A 79 ? 3.75445 39.53141 33.73220 0.427 20.52245 H ? A ? 78 HB3 1
   ATOM 1581 HD1 A PHE A 79 ? 6.04793 39.96298 31.05359 0.427 16.31348 H ? A ? 78 HD1 1
   ATOM 1582 HD2 A PHE A 79 ? 2.47023 38.52679 32.08489 0.427 16.43282 H ? A ? 78 HD2 1
   ATOM 1583 HE1 A PHE A 79 ? 5.84690 39.00298 28.94777 0.427 14.55901 H ? A ? 78 HE1 1
   ATOM 1584 HE2 A PHE A 79 ? 2.23884 37.63519 29.93272 0.427 16.14922 H ? A ? 78 HE2 1
   ATOM 1585 HZ A PHE A 79 ? 4.03056 37.76215 28.44344 0.427 14.54801 H ? A ? 78 HZ 1
   ATOM 1586 N B PHE A 79 ? 3.74561 41.93914 34.58620 0.573 18.49061 N ? A ? 78 N 1
   ATOM 1587 CA B PHE A 79 ? 3.55611 41.35441 33.25422 0.573 17.73166 C ? A ? 78 CA 1
   ATOM 1588 C B PHE A 79 ? 2.14134 41.63327 32.74418 0.573 16.91737 C ? A ? 78 C 1
   ATOM 1589 O B PHE A 79 ? 1.93372 41.95304 31.55972 0.573 14.84163 O ? A ? 78 O 1
   ATOM 1590 CB B PHE A 79 ? 3.77669 39.82852 33.30705 0.573 16.68100 C ? A ? 78 CB 1
   ATOM 1591 CG B PHE A 79 ? 3.70258 39.18438 31.92608 0.573 12.52687 C ? A ? 78 CG 1
   ATOM 1592 CD1 B PHE A 79 ? 4.75221 39.29702 31.06171 0.573 13.15724 C ? A ? 78 CD1 1
   ATOM 1593 CD2 B PHE A 79 ? 2.58615 38.47681 31.56373 0.573 14.53560 C ? A ? 78 CD2 1
   ATOM 1594 CE1 B PHE A 79 ? 4.63475 38.78758 29.76526 0.573 11.70486 C ? A ? 78 CE1 1
   ATOM 1595 CE2 B PHE A 79 ? 2.48885 37.95563 30.29667 0.573 13.62092 C ? A ? 78 CE2 1
   ATOM 1596 CZ B PHE A 79 ? 3.56257 38.04591 29.46092 0.573 12.88943 C ? A ? 78 CZ 1
   ATOM 1597 H B PHE A 79 ? 3.77149 41.37206 35.23223 0.573 22.16117 H ? A ? 78 H 1
   ATOM 1598 HA B PHE A 79 ? 4.20565 41.74435 32.64847 0.573 21.25042 H ? A ? 78 HA 1
   ATOM 1599 HB2 B PHE A 79 ? 4.65433 39.64730 33.67829 0.573 19.98963 H ? A ? 78 HB2 1
   ATOM 1600 HB3 B PHE A 79 ? 3.09146 39.42782 33.86454 0.573 19.98963 H ? A ? 78 HB3 1
   ATOM 1601 HD1 B PHE A 79 ? 5.54018 39.70976 31.33310 0.573 15.76112 H ? A ? 78 HD1 1
   ATOM 1602 HD2 B PHE A 79 ? 1.89618 38.34989 32.17424 0.573 17.41515 H ? A ? 78 HD2 1
   ATOM 1603 HE1 B PHE A 79 ? 5.28849 38.96046 29.12679 0.573 14.01827 H ? A ? 78 HE1 1
   ATOM 1604 HE2 B PHE A 79 ? 1.70280 37.54745 30.01311 0.573 16.31753 H ? A ? 78 HE2 1
   ATOM 1605 HZ B PHE A 79 ? 3.54966 37.57902 28.65671 0.573 15.43975 H ? A ? 78 HZ 1
   ATOM 1606 N A LYS A 80 ? 1.57924 41.66188 33.51648 0.427 17.24805 N ? A ? 79 N 1
   ATOM 1607 CA A LYS A 80 ? 0.18303 41.83523 33.08422 0.427 19.13066 C ? A ? 79 CA 1
   ATOM 1608 C A LYS A 80 ? -0.07312 43.28777 32.70763 0.427 20.10140 C ? A ? 79 C 1
   ATOM 1609 O A LYS A 80 ? -0.84259 43.57789 31.77493 0.427 18.45799 O ? A ? 79 O 1
   ATOM 1610 CB A LYS A 80 ? -0.84483 41.33104 34.12361 0.427 21.73703 C ? A ? 79 CB 1
   ATOM 1611 CG A LYS A 80 ? -2.32389 41.28594 33.59524 0.427 21.75413 C ? A ? 79 CG 1
   ATOM 1612 CD A LYS A 80 ? -3.22836 40.47062 34.44649 0.427 28.06758 C ? A ? 79 CD 1
   ATOM 1613 CE A LYS A 80 ? -3.38877 41.11601 35.78860 0.427 28.54152 C ? A ? 79 CE 1
   ATOM 1614 NZ A LYS A 80 ? -3.86672 42.52013 35.69610 0.427 34.85894 N ? A ? 79 NZ 1
   ATOM 1615 H A LYS A 80 ? 1.65335 41.45026 34.34674 0.427 20.67009 H ? A ? 79 H 1
   ATOM 1616 HA A LYS A 80 ? 0.04340 41.27149 32.30731 0.427 22.92922 H ? A ? 79 HA 1
   ATOM 1617 HB2 A LYS A 80 ? -0.60002 40.43129 34.39085 0.427 26.05686 H ? A ? 79 HB2 1
   ATOM 1618 HB3 A LYS A 80 ? -0.82457 41.92249 34.89216 0.427 26.05686 H ? A ? 79 HB3 1
   ATOM 1619 HG2 A LYS A 80 ? -2.67570 42.18950 33.56838 0.427 26.07738 H ? A ? 79 HG2 1
   ATOM 1620 HG3 A LYS A 80 ? -2.32786 40.90176 32.70458 0.427 26.07738 H ? A ? 79 HG3 1
   ATOM 1621 HD2 A LYS A 80 ? -4.10043 40.40421 34.02698 0.427 33.65352 H ? A ? 79 HD2 1
   ATOM 1622 HD3 A LYS A 80 ? -2.85134 39.58546 34.56999 0.427 33.65352 H ? A ? 79 HD3 1
   ATOM 1623 HE2 A LYS A 80 ? -4.03588 40.61236 36.30675 0.427 34.22225 H ? A ? 79 HE2 1
   ATOM 1624 HE3 A LYS A 80 ? -2.53144 41.12022 36.24233 0.427 34.22225 H ? A ? 79 HE3 1
   ATOM 1625 HZ1 A LYS A 80 ? -4.01242 42.84640 36.51122 0.427 41.80316 H ? A ? 79 HZ1 1
   ATOM 1626 HZ2 A LYS A 80 ? -3.25617 43.02328 35.28846 0.427 41.80316 H ? A ? 79 HZ2 1
   ATOM 1627 HZ3 A LYS A 80 ? -4.62527 42.55351 35.23179 0.427 41.80316 H ? A ? 79 HZ3 1
   ATOM 1628 N B LYS A 80 ? 1.14453 41.53532 33.60810 0.573 16.58365 N ? A ? 79 N 1
   ATOM 1629 CA B LYS A 80 ? -0.20955 41.87769 33.21830 0.573 18.93530 C ? A ? 79 CA 1
   ATOM 1630 C B LYS A 80 ? -0.24343 43.32202 32.77080 0.573 20.19071 C ? A ? 79 C 1
   ATOM 1631 O B LYS A 80 ? -0.92805 43.64531 31.78753 0.573 18.37017 O ? A ? 79 O 1
   ATOM 1632 CB B LYS A 80 ? -1.19561 41.67615 34.37845 0.573 19.22177 C ? A ? 79 CB 1
   ATOM 1633 CG B LYS A 80 ? -2.61062 41.65523 33.89979 0.573 20.21337 C ? A ? 79 CG 1
   ATOM 1634 CD B LYS A 80 ? -3.56002 41.13253 35.00394 0.573 26.52729 C ? A ? 79 CD 1
   ATOM 1635 CE B LYS A 80 ? -5.01366 41.16699 34.55309 0.573 28.92496 C ? A ? 79 CE 1
   ATOM 1636 NZ B LYS A 80 ? -5.92637 40.57323 35.56498 0.573 32.16319 N ? A ? 79 NZ 1
   ATOM 1637 H B LYS A 80 ? 1.22494 41.27406 34.42350 0.573 19.87281 H ? A ? 79 H 1
   ATOM 1638 HA B LYS A 80 ? -0.49031 41.28913 32.50019 0.573 22.69479 H ? A ? 79 HA 1
   ATOM 1639 HB2 B LYS A 80 ? -1.00827 40.83021 34.81456 0.573 23.03855 H ? A ? 79 HB2 1
   ATOM 1640 HB3 B LYS A 80 ? -1.09821 42.40454 35.01160 0.573 23.03855 H ? A ? 79 HB3 1
   ATOM 1641 HG2 B LYS A 80 ? -2.88420 42.55434 33.65969 0.573 24.22848 H ? A ? 79 HG2 1
   ATOM 1642 HG3 B LYS A 80 ? -2.68301 41.06969 33.12985 0.573 24.22848 H ? A ? 79 HG3 1
   ATOM 1643 HD2 B LYS A 80 ? -3.32910 40.21512 35.21826 0.573 31.80517 H ? A ? 79 HD2 1
   ATOM 1644 HD3 B LYS A 80 ? -3.47243 41.68972 35.79310 0.573 31.80517 H ? A ? 79 HD3 1
   ATOM 1645 HE2 B LYS A 80 ? -5.28085 42.08810 34.40800 0.573 34.68238 H ? A ? 79 HE2 1
   ATOM 1646 HE3 B LYS A 80 ? -5.10442 40.66165 33.73011 0.573 34.68238 H ? A ? 79 HE3 1
   ATOM 1647 HZ1 B LYS A 80 ? -6.77144 40.65558 35.29822 0.573 38.56825 H ? A ? 79 HZ1 1
   ATOM 1648 HZ2 B LYS A 80 ? -5.74046 39.70959 35.67305 0.573 38.56825 H ? A ? 79 HZ2 1
   ATOM 1649 HZ3 B LYS A 80 ? -5.82792 40.98972 36.34533 0.573 38.56825 H ? A ? 79 HZ3 1
   ATOM 1650 N . GLN A 81 ? 0.48613 44.21297 33.47408 1.000 18.43094 N ? A ? 80 N 1
   ATOM 1651 CA . GLN A 81 ? 0.48090 45.58919 33.04427 1.000 19.70277 C ? A ? 80 CA 1
   ATOM 1652 C . GLN A 81 ? 1.06049 45.74903 31.64577 1.000 17.79764 C ? A ? 80 C 1
   ATOM 1653 O . GLN A 81 ? 0.52246 46.56478 30.87850 1.000 19.19076 O ? A ? 80 O 1
   ATOM 1654 CB . GLN A 81 ? 1.13509 46.51635 34.05952 1.000 20.58316 C ? A ? 80 CB 1
   ATOM 1655 CG . GLN A 81 ? 0.36530 46.92076 35.27201 1.000 31.98341 C ? A ? 80 CG 1
   ATOM 1656 CD . GLN A 81 ? -0.85686 47.81978 34.92955 1.000 44.04311 C ? A ? 80 CD 1
   ATOM 1657 OE1 . GLN A 81 ? -0.76475 48.87476 34.22606 1.000 35.20140 O ? A ? 80 OE1 1
   ATOM 1658 NE2 . GLN A 81 ? -2.00948 47.42448 35.48020 1.000 49.65339 N ? A ? 80 NE2 1
   ATOM 1659 HA . GLN A 81 ? -0.44525 45.87427 33.00100 1.000 23.61575 H ? A ? 80 HA 1
   ATOM 1660 HB2 . GLN A 81 ? 1.93840 46.07699 34.37976 1.000 24.67222 H ? A ? 80 HB2 1
   ATOM 1661 HB3 . GLN A 81 ? 1.36753 47.33677 33.59714 1.000 24.67222 H ? A ? 80 HB3 1
   ATOM 1662 HG2 . GLN A 81 ? 0.03750 46.12496 35.71939 1.000 38.35252 H ? A ? 80 HG2 1
   ATOM 1663 HG3 . GLN A 81 ? 0.94827 47.41895 35.86603 1.000 38.35252 H ? A ? 80 HG3 1
   ATOM 1664 HE21 . GLN A 81 ? -2.03015 46.72336 35.97780 1.000 59.55650 H ? A ? 80 HE21 1
   ATOM 1665 HE22 . GLN A 81 ? -2.73011 47.87136 35.33675 1.000 59.55650 H ? A ? 80 HE22 1
   ATOM 1666 H A GLN A 81 ? 0.86638 44.06746 34.23160 0.427 22.08956 H ? A ? 80 H 1
   ATOM 1667 H B GLN A 81 ? 0.96350 44.03693 34.16743 0.573 22.08956 H ? A ? 80 H 1
   ATOM 1668 N A LYS A 82 ? 2.22053 45.13902 31.35349 0.391 17.89768 N ? A ? 81 N 1
   ATOM 1669 CA A LYS A 82 ? 2.82330 45.33766 30.02366 0.391 17.12914 C ? A ? 81 CA 1
   ATOM 1670 C A LYS A 82 ? 2.01547 44.73880 28.90959 0.391 15.10849 C ? A ? 81 C 1
   ATOM 1671 O A LYS A 82 ? 2.09038 45.28165 27.77436 0.391 12.38661 O ? A ? 81 O 1
   ATOM 1672 CB A LYS A 82 ? 4.25823 44.84766 29.90939 0.391 16.13329 C ? A ? 81 CB 1
   ATOM 1673 CG A LYS A 82 ? 5.24453 45.84298 30.59024 0.391 19.39258 C ? A ? 81 CG 1
   ATOM 1674 CD A LYS A 82 ? 6.65323 45.39184 30.36223 0.391 20.88062 C ? A ? 81 CD 1
   ATOM 1675 CE A LYS A 82 ? 7.65681 46.50546 30.68565 0.391 24.14772 C ? A ? 81 CE 1
   ATOM 1676 NZ A LYS A 82 ? 7.54055 46.98983 32.07846 0.391 24.65359 N ? A ? 81 NZ 1
   ATOM 1677 H A LYS A 82 ? 2.66153 44.62605 31.88451 0.391 21.44964 H ? A ? 81 H 1
   ATOM 1678 HA A LYS A 82 ? 2.85004 46.30172 29.91986 0.391 20.52740 H ? A ? 81 HA 1
   ATOM 1679 HB2 A LYS A 82 ? 4.34026 43.98569 30.34663 0.391 19.33238 H ? A ? 81 HB2 1
   ATOM 1680 HB3 A LYS A 82 ? 4.49829 44.76881 28.97288 0.391 19.33238 H ? A ? 81 HB3 1
   ATOM 1681 HG2 A LYS A 82 ? 5.13400 46.72765 30.20809 0.391 23.24353 H ? A ? 81 HG2 1
   ATOM 1682 HG3 A LYS A 82 ? 5.07594 45.87062 31.54508 0.391 23.24353 H ? A ? 81 HG3 1
   ATOM 1683 HD2 A LYS A 82 ? 6.84457 44.63271 30.93494 0.391 25.02918 H ? A ? 81 HD2 1
   ATOM 1684 HD3 A LYS A 82 ? 6.76425 45.14168 29.43164 0.391 25.02918 H ? A ? 81 HD3 1
   ATOM 1685 HE2 A LYS A 82 ? 8.55707 46.16698 30.55966 0.391 28.94969 H ? A ? 81 HE2 1
   ATOM 1686 HE3 A LYS A 82 ? 7.49870 47.25646 30.09244 0.391 28.94969 H ? A ? 81 HE3 1
   ATOM 1687 HZ1 A LYS A 82 ? 8.31412 47.34052 32.34436 0.391 29.55674 H ? A ? 81 HZ1 1
   ATOM 1688 HZ2 A LYS A 82 ? 6.90730 47.61290 32.13221 0.391 29.55674 H ? A ? 81 HZ2 1
   ATOM 1689 HZ3 A LYS A 82 ? 7.32844 46.31509 32.61869 0.391 29.55674 H ? A ? 81 HZ3 1
   ATOM 1690 N B LYS A 82 ? 2.24319 45.22607 31.35601 0.609 17.85488 N ? A ? 81 N 1
   ATOM 1691 CA B LYS A 82 ? 2.76195 45.31452 29.97358 0.609 17.07337 C ? A ? 81 CA 1
   ATOM 1692 C B LYS A 82 ? 1.77722 44.77460 28.96049 0.609 15.04294 C ? A ? 81 C 1
   ATOM 1693 O B LYS A 82 ? 1.50013 45.39100 27.91787 0.609 12.80960 O ? A ? 81 O 1
   ATOM 1694 CB B LYS A 82 ? 4.06577 44.56275 29.93008 0.609 15.56921 C ? A ? 81 CB 1
   ATOM 1695 CG B LYS A 82 ? 5.16162 45.26116 30.82488 0.609 20.39061 C ? A ? 81 CG 1
   ATOM 1696 CD B LYS A 82 ? 6.20116 45.96748 29.99386 0.609 22.32819 C ? A ? 81 CD 1
   ATOM 1697 CE B LYS A 82 ? 7.49086 46.29521 30.73177 0.609 23.86626 C ? A ? 81 CE 1
   ATOM 1698 NZ B LYS A 82 ? 7.46788 47.30767 31.75617 0.609 24.93707 N ? A ? 81 NZ 1
   ATOM 1699 H B LYS A 82 ? 2.75898 44.82452 31.91486 0.609 21.39829 H ? A ? 81 H 1
   ATOM 1700 HA B LYS A 82 ? 2.91185 46.24201 29.73235 0.609 20.46048 H ? A ? 81 HA 1
   ATOM 1701 HB2 B LYS A 82 ? 3.92807 43.66172 30.26187 0.609 18.65549 H ? A ? 81 HB2 1
   ATOM 1702 HB3 B LYS A 82 ? 4.38941 44.53390 29.01612 0.609 18.65549 H ? A ? 81 HB3 1
   ATOM 1703 HG2 B LYS A 82 ? 4.73536 45.91712 31.39839 0.609 24.44116 H ? A ? 81 HG2 1
   ATOM 1704 HG3 B LYS A 82 ? 5.60924 44.59026 31.36379 0.609 24.44116 H ? A ? 81 HG3 1
   ATOM 1705 HD2 B LYS A 82 ? 6.43231 45.40082 29.24130 0.609 26.76626 H ? A ? 81 HD2 1
   ATOM 1706 HD3 B LYS A 82 ? 5.82672 46.80412 29.67649 0.609 26.76626 H ? A ? 81 HD3 1
   ATOM 1707 HE2 B LYS A 82 ? 7.79826 45.48068 31.15950 0.609 28.61194 H ? A ? 81 HE2 1
   ATOM 1708 HE3 B LYS A 82 ? 8.13884 46.58850 30.07222 0.609 28.61194 H ? A ? 81 HE3 1
   ATOM 1709 HZ1 B LYS A 82 ? 8.27058 47.37627 32.13441 0.609 29.89691 H ? A ? 81 HZ1 1
   ATOM 1710 HZ2 B LYS A 82 ? 7.24723 48.09388 31.40221 0.609 29.89691 H ? A ? 81 HZ2 1
   ATOM 1711 HZ3 B LYS A 82 ? 6.87126 47.09471 32.38130 0.609 29.89691 H ? A ? 81 HZ3 1
   ATOM 1712 N . GLN A 83 ? 1.21258 43.67333 29.23399 1.000 13.58654 N ? A ? 82 N 1
   ATOM 1713 CA . GLN A 83 ? 0.30696 43.10037 28.24210 1.000 16.16188 C ? A ? 82 CA 1
   ATOM 1714 C . GLN A 83 ? -0.93131 43.96097 28.07927 1.000 17.13959 C ? A ? 82 C 1
   ATOM 1715 O . GLN A 83 ? -1.42682 44.10709 26.97913 1.000 15.97014 O ? A ? 82 O 1
   ATOM 1716 CB . GLN A 83 ? -0.04038 41.62564 28.54197 1.000 22.81355 C ? A ? 82 CB 1
   ATOM 1717 CG . GLN A 83 ? -1.33848 41.35629 28.30971 1.000 23.41667 C ? A ? 82 CG 1
   ATOM 1718 CD . GLN A 83 ? -1.81303 40.32084 29.26373 1.000 19.79395 C ? A ? 82 CD 1
   ATOM 1719 OE1 . GLN A 83 ? -0.96881 39.61887 29.89247 1.000 25.20110 O ? A ? 82 OE1 1
   ATOM 1720 NE2 . GLN A 83 ? -3.08240 40.08369 29.30260 1.000 29.74366 N ? A ? 82 NE2 1
   ATOM 1721 HA . GLN A 83 ? 0.77028 43.07650 27.39024 1.000 19.36669 H ? A ? 82 HA 1
   ATOM 1722 HB2 . GLN A 83 ? 0.49546 41.05025 27.97389 1.000 27.34869 H ? A ? 82 HB2 1
   ATOM 1723 HB3 . GLN A 83 ? 0.14648 41.43770 29.47506 1.000 27.34869 H ? A ? 82 HB3 1
   ATOM 1724 HG2 . GLN A 83 ? -1.86715 42.16030 28.43212 1.000 28.07244 H ? A ? 82 HG2 1
   ATOM 1725 HG3 . GLN A 83 ? -1.44732 41.02212 27.40562 1.000 28.07244 H ? A ? 82 HG3 1
   ATOM 1726 HE21 . GLN A 83 ? -3.61705 40.51865 28.78825 1.000 35.66482 H ? A ? 82 HE21 1
   ATOM 1727 HE22 . GLN A 83 ? -3.39273 39.49086 29.84283 1.000 35.66482 H ? A ? 82 HE22 1
   ATOM 1728 H A GLN A 83 ? 1.18969 43.29068 30.00383 0.391 16.27628 H ? A ? 82 H 1
   ATOM 1729 H B GLN A 83 ? 1.31215 43.22219 29.95936 0.609 16.27628 H ? A ? 82 H 1
   ATOM 1730 N . GLN A 84 ? -1.45358 44.51044 29.21038 1.000 16.06284 N ? A ? 83 N 1
   ATOM 1731 CA . GLN A 84 ? -2.66274 45.30467 29.13149 1.000 15.88912 C ? A ? 83 CA 1
   ATOM 1732 C . GLN A 84 ? -2.39060 46.64808 28.52174 1.000 15.51642 C ? A ? 83 C 1
   ATOM 1733 O . GLN A 84 ? -3.17768 47.10053 27.66262 1.000 15.67774 O ? A ? 83 O 1
   ATOM 1734 H . GLN A 84 ? -1.12154 44.42830 29.99943 1.000 19.24783 H ? A ? 83 H 1
   ATOM 1735 HA . GLN A 84 ? -3.32133 44.87835 28.56105 1.000 19.03937 H ? A ? 83 HA 1
   ATOM 1736 CB A GLN A 84 ? -3.35275 45.37628 30.50610 0.519 19.57149 C ? A ? 83 CB 1
   ATOM 1737 CG A GLN A 84 ? -3.94915 44.00960 30.87740 0.519 24.73047 C ? A ? 83 CG 1
   ATOM 1738 CD A GLN A 84 ? -4.85822 43.38141 29.78597 0.519 28.29919 C ? A ? 83 CD 1
   ATOM 1739 OE1 A GLN A 84 ? -4.96523 42.16284 29.69338 0.519 31.14451 O ? A ? 83 OE1 1
   ATOM 1740 NE2 A GLN A 84 ? -5.48956 44.19701 28.97872 0.519 30.68563 N ? A ? 83 NE2 1
   ATOM 1741 HB2 A GLN A 84 ? -2.70391 45.62589 31.18256 0.519 23.45822 H ? A ? 83 HB2 1
   ATOM 1742 HB3 A GLN A 84 ? -4.06901 46.02972 30.47629 0.519 23.45822 H ? A ? 83 HB3 1
   ATOM 1743 HG2 A GLN A 84 ? -3.22154 43.38996 31.04331 0.519 29.64899 H ? A ? 83 HG2 1
   ATOM 1744 HG3 A GLN A 84 ? -4.48520 44.11413 31.67903 0.519 29.64899 H ? A ? 83 HG3 1
   ATOM 1745 HE21 A GLN A 84 ? -5.39264 45.04723 29.06427 0.519 36.79519 H ? A ? 83 HE21 1
   ATOM 1746 HE22 A GLN A 84 ? -6.00104 43.88231 28.36312 0.519 36.79519 H ? A ? 83 HE22 1
   ATOM 1747 CB B GLN A 84 ? -3.28591 45.43794 30.52462 0.481 19.57980 C ? A ? 83 CB 1
   ATOM 1748 CG B GLN A 84 ? -3.87773 44.14341 30.89601 0.481 24.70244 C ? A ? 83 CG 1
   ATOM 1749 CD B GLN A 84 ? -5.38816 44.06782 30.74818 0.481 29.49881 C ? A ? 83 CD 1
   ATOM 1750 OE1 B GLN A 84 ? -6.03417 44.92304 30.14762 0.481 31.90567 O ? A ? 83 OE1 1
   ATOM 1751 NE2 B GLN A 84 ? -5.97392 43.05316 31.38950 0.481 31.74172 N ? A ? 83 NE2 1
   ATOM 1752 HB2 B GLN A 84 ? -2.60350 45.67353 31.17246 0.481 23.46819 H ? A ? 83 HB2 1
   ATOM 1753 HB3 B GLN A 84 ? -3.98103 46.11440 30.51409 0.481 23.46819 H ? A ? 83 HB3 1
   ATOM 1754 HG2 B GLN A 84 ? -3.49479 43.45547 30.32944 0.481 29.61536 H ? A ? 83 HG2 1
   ATOM 1755 HG3 B GLN A 84 ? -3.66663 43.96323 31.82546 0.481 29.61536 H ? A ? 83 HG3 1
   ATOM 1756 HE21 B GLN A 84 ? -5.49803 42.50029 31.84497 0.481 38.06250 H ? A ? 83 HE21 1
   ATOM 1757 HE22 B GLN A 84 ? -6.82697 42.95271 31.34695 0.481 38.06250 H ? A ? 83 HE22 1
   ATOM 1758 N . ALA A 85 ? -1.18969 47.16825 28.59062 1.000 12.30822 N ? A ? 84 N 1
   ATOM 1759 CA . ALA A 85 ? -0.87341 48.41234 27.95642 1.000 16.75208 C ? A ? 84 CA 1
   ATOM 1760 C . ALA A 85 ? -0.75365 48.16344 26.45900 1.000 15.12814 C ? A ? 84 C 1
   ATOM 1761 O . ALA A 85 ? -1.15380 48.99620 25.63475 1.000 13.55840 O ? A ? 84 O 1
   ATOM 1762 CB . ALA A 85 ? 0.51024 48.94669 28.38559 1.000 21.82863 C ? A ? 84 CB 1
   ATOM 1763 H . ALA A 85 ? -0.52781 46.81128 29.00786 1.000 14.74229 H ? A ? 84 H 1
   ATOM 1764 HA . ALA A 85 ? -1.55992 49.05201 28.20224 1.000 20.07493 H ? A ? 84 HA 1
   ATOM 1765 HB1 . ALA A 85 ? 0.71932 49.73710 27.86363 1.000 26.16679 H ? A ? 84 HB1 1
   ATOM 1766 HB2 . ALA A 85 ? 0.48349 49.17081 29.32897 1.000 26.16679 H ? A ? 84 HB2 1
   ATOM 1767 HB3 . ALA A 85 ? 1.17687 48.26002 28.22752 1.000 26.16679 H ? A ? 84 HB3 1
   ATOM 1768 N . PHE A 86 ? -0.00758 47.11213 26.04222 1.000 12.64228 N ? A ? 85 N 1
   ATOM 1769 CA . PHE A 86 ? -0.03775 46.65519 24.63650 1.000 12.20024 C ? A ? 85 CA 1
   ATOM 1770 C . PHE A 86 ? -1.44770 46.53465 24.14411 1.000 11.04228 C ? A ? 85 C 1
   ATOM 1771 O . PHE A 86 ? -1.72781 47.10569 23.08677 1.000 10.75366 O ? A ? 85 O 1
   ATOM 1772 CB . PHE A 86 ? 0.74972 45.34520 24.53789 1.000 11.80177 C ? A ? 85 CB 1
   ATOM 1773 CG . PHE A 86 ? 0.56932 44.65535 23.23667 1.000 10.54354 C ? A ? 85 CG 1
   ATOM 1774 CD1 . PHE A 86 ? 1.07039 45.20142 22.06766 1.000 14.43584 C ? A ? 85 CD1 1
   ATOM 1775 CD2 . PHE A 86 ? -0.14909 43.54160 23.19685 1.000 10.87943 C ? A ? 85 CD2 1
   ATOM 1776 CE1 . PHE A 86 ? 0.85824 44.50897 20.81027 1.000 13.31856 C ? A ? 85 CE1 1
   ATOM 1777 CE2 . PHE A 86 ? -0.30327 42.87405 21.96576 1.000 12.09810 C ? A ? 85 CE2 1
   ATOM 1778 CZ . PHE A 86 ? 0.20035 43.43628 20.80094 1.000 12.69930 C ? A ? 85 CZ 1
   ATOM 1779 H . PHE A 86 ? 0.51602 46.65470 26.54837 1.000 15.14317 H ? A ? 85 H 1
   ATOM 1780 HA . PHE A 86 ? 0.39467 47.29739 24.05213 1.000 14.61272 H ? A ? 85 HA 1
   ATOM 1781 HB2 . PHE A 86 ? 1.69436 45.53708 24.64620 1.000 14.13455 H ? A ? 85 HB2 1
   ATOM 1782 HB3 . PHE A 86 ? 0.45065 44.74485 25.23862 1.000 14.13455 H ? A ? 85 HB3 1
   ATOM 1783 HD1 . PHE A 86 ? 1.53867 46.00467 22.08790 1.000 17.29544 H ? A ? 85 HD1 1
   ATOM 1784 HD2 . PHE A 86 ? -0.54473 43.20656 23.96893 1.000 13.02775 H ? A ? 85 HD2 1
   ATOM 1785 HE1 . PHE A 86 ? 1.20490 44.85435 20.01943 1.000 15.95470 H ? A ? 85 HE1 1
   ATOM 1786 HE2 . PHE A 86 ? -0.74323 42.05533 21.93354 1.000 14.49015 H ? A ? 85 HE2 1
   ATOM 1787 HZ . PHE A 86 ? 0.04712 43.00773 19.98991 1.000 15.21159 H ? A ? 85 HZ 1
   ATOM 1788 N A GLN A 87 ? -2.37165 45.82241 24.81920 0.578 10.18328 N ? A ? 86 N 1
   ATOM 1789 CA A GLN A 87 ? -3.66929 45.67285 24.16433 0.578 12.97014 C ? A ? 86 CA 1
   ATOM 1790 C A GLN A 87 ? -4.42614 46.99425 24.13164 0.578 12.70891 C ? A ? 86 C 1
   ATOM 1791 O A GLN A 87 ? -5.18429 47.26275 23.19302 0.578 12.80204 O ? A ? 86 O 1
   ATOM 1792 CB A GLN A 87 ? -4.50403 44.58199 24.77245 0.578 16.09546 C ? A ? 86 CB 1
   ATOM 1793 CG A GLN A 87 ? -3.90818 43.22511 24.51494 0.578 14.05665 C ? A ? 86 CG 1
   ATOM 1794 CD A GLN A 87 ? -4.87527 42.15164 24.85822 0.578 14.08561 C ? A ? 86 CD 1
   ATOM 1795 OE1 A GLN A 87 ? -5.88277 41.94187 24.15397 0.578 12.78364 O ? A ? 86 OE1 1
   ATOM 1796 NE2 A GLN A 87 ? -4.65311 41.51639 26.00367 0.578 14.20503 N ? A ? 86 NE2 1
   ATOM 1797 H A GLN A 87 ? -2.27364 45.45148 25.58888 0.578 12.19237 H ? A ? 86 H 1
   ATOM 1798 HA A GLN A 87 ? -3.50474 45.38818 23.25176 0.578 15.53659 H ? A ? 86 HA 1
   ATOM 1799 HB2 A GLN A 87 ? -4.55708 44.71575 25.73172 0.578 19.28698 H ? A ? 86 HB2 1
   ATOM 1800 HB3 A GLN A 87 ? -5.39287 44.60437 24.38470 0.578 19.28698 H ? A ? 86 HB3 1
   ATOM 1801 HG2 A GLN A 87 ? -3.67919 43.14505 23.57576 0.578 16.84041 H ? A ? 86 HG2 1
   ATOM 1802 HG3 A GLN A 87 ? -3.11448 43.11119 25.06081 0.578 16.84041 H ? A ? 86 HG3 1
   ATOM 1803 HE21 A GLN A 87 ? -3.98191 41.73646 26.49426 0.578 17.01846 H ? A ? 86 HE21 1
   ATOM 1804 HE22 A GLN A 87 ? -5.18048 40.88511 26.25458 0.578 17.01846 H ? A ? 86 HE22 1
   ATOM 1805 N B GLN A 87 ? -2.30291 45.80638 24.84366 0.422 10.31950 N ? A ? 86 N 1
   ATOM 1806 CA B GLN A 87 ? -3.67151 45.56563 24.43033 0.422 12.98389 C ? A ? 86 CA 1
   ATOM 1807 C B GLN A 87 ? -4.45007 46.88030 24.27149 0.422 12.96586 C ? A ? 86 C 1
   ATOM 1808 O B GLN A 87 ? -5.32359 47.00053 23.43042 0.422 12.93674 O ? A ? 86 O 1
   ATOM 1809 CB B GLN A 87 ? -4.26253 44.60338 25.50260 0.422 15.37425 C ? A ? 86 CB 1
   ATOM 1810 CG B GLN A 87 ? -3.57493 43.19146 25.36364 0.422 13.37948 C ? A ? 86 CG 1
   ATOM 1811 CD B GLN A 87 ? -4.32345 42.10074 26.09778 0.422 14.68288 C ? A ? 86 CD 1
   ATOM 1812 OE1 B GLN A 87 ? -4.20889 41.93499 27.31992 0.422 16.70382 O ? A ? 86 OE1 1
   ATOM 1813 NE2 B GLN A 87 ? -5.11678 41.35866 25.35196 0.422 15.25725 N ? A ? 86 NE2 1
   ATOM 1814 H B GLN A 87 ? -2.10834 45.42585 25.58994 0.422 12.35583 H ? A ? 86 H 1
   ATOM 1815 HA B GLN A 87 ? -3.73787 45.14719 23.55775 0.422 15.55310 H ? A ? 86 HA 1
   ATOM 1816 HB2 B GLN A 87 ? -4.08908 44.95296 26.39064 0.422 18.42153 H ? A ? 86 HB2 1
   ATOM 1817 HB3 B GLN A 87 ? -5.21770 44.50418 25.36583 0.422 18.42153 H ? A ? 86 HB3 1
   ATOM 1818 HG2 B GLN A 87 ? -3.53681 42.94951 24.42507 0.422 16.02781 H ? A ? 86 HG2 1
   ATOM 1819 HG3 B GLN A 87 ? -2.67830 43.23910 25.73064 0.422 16.02781 H ? A ? 86 HG3 1
   ATOM 1820 HE21 B GLN A 87 ? -5.18079 41.51166 24.50810 0.422 18.28113 H ? A ? 86 HE21 1
   ATOM 1821 HE22 B GLN A 87 ? -5.57055 40.72134 25.70905 0.422 18.28113 H ? A ? 86 HE22 1
   ATOM 1822 N . ASP A 88 ? -4.21268 47.83180 25.17195 1.000 11.52617 N ? A ? 87 N 1
   ATOM 1823 CA . ASP A 88 ? -4.79231 49.15478 25.07003 1.000 12.09464 C ? A ? 87 CA 1
   ATOM 1824 C . ASP A 88 ? -4.26541 49.94204 23.88304 1.000 12.08871 C ? A ? 87 C 1
   ATOM 1825 O . ASP A 88 ? -5.04601 50.62911 23.21752 1.000 12.81968 O ? A ? 87 O 1
   ATOM 1826 CB . ASP A 88 ? -4.49148 50.00548 26.33833 1.000 14.32094 C ? A ? 87 CB 1
   ATOM 1827 CG . ASP A 88 ? -5.06125 49.52864 27.63069 1.000 20.30942 C ? A ? 87 CG 1
   ATOM 1828 OD1 . ASP A 88 ? -6.04408 48.83133 27.52173 1.000 22.60042 O ? A ? 87 OD1 1
   ATOM 1829 OD2 . ASP A 88 ? -4.58127 50.08160 28.71186 1.000 18.32704 O ? A ? 87 OD2 1
   ATOM 1830 HA . ASP A 88 ? -5.74699 49.01087 24.97628 1.000 14.48600 H ? A ? 87 HA 1
   ATOM 1831 HB2 . ASP A 88 ? -3.52888 50.04160 26.45235 1.000 17.15755 H ? A ? 87 HB2 1
   ATOM 1832 HB3 . ASP A 88 ? -4.84163 50.89775 26.18948 1.000 17.15755 H ? A ? 87 HB3 1
   ATOM 1833 H A ASP A 88 ? -3.76750 47.65627 25.88652 0.578 13.80384 H ? A ? 87 H 1
   ATOM 1834 H B ASP A 88 ? -3.70969 47.73001 25.86205 0.422 13.80384 H ? A ? 87 H 1
   ATOM 1835 N A ASN A 89 ? -3.00248 49.86057 23.54754 0.590 11.62802 N ? A ? 88 N 1
   ATOM 1836 CA A ASN A 89 ? -2.53060 50.48009 22.31694 0.590 14.26421 C ? A ? 88 CA 1
   ATOM 1837 C A ASN A 89 ? -3.08043 49.79215 21.08003 0.590 12.64075 C ? A ? 88 C 1
   ATOM 1838 O A ASN A 89 ? -3.34848 50.43791 20.05068 0.590 13.27260 O ? A ? 88 O 1
   ATOM 1839 CB A ASN A 89 ? -1.02393 50.49423 22.30423 0.590 12.14082 C ? A ? 88 CB 1
   ATOM 1840 CG A ASN A 89 ? -0.54063 51.67016 23.05294 0.590 12.85938 C ? A ? 88 CG 1
   ATOM 1841 OD1 A ASN A 89 ? -1.16229 52.70812 22.97934 0.590 14.10063 O ? A ? 88 OD1 1
   ATOM 1842 ND2 A ASN A 89 ? 0.60596 51.57757 23.61894 0.590 12.64475 N ? A ? 88 ND2 1
   ATOM 1843 H A ASN A 89 ? -2.39512 49.45793 24.00426 0.590 13.92606 H ? A ? 88 H 1
   ATOM 1844 HA A ASN A 89 ? -2.83978 51.39906 22.28852 0.590 17.08948 H ? A ? 88 HA 1
   ATOM 1845 HB2 A ASN A 89 ? -0.68357 49.69048 22.72735 0.590 14.54142 H ? A ? 88 HB2 1
   ATOM 1846 HB3 A ASN A 89 ? -0.70291 50.54957 21.39056 0.590 14.54142 H ? A ? 88 HB3 1
   ATOM 1847 HD21 A ASN A 89 ? 0.92066 52.24263 24.06421 0.590 15.14614 H ? A ? 88 HD21 1
   ATOM 1848 HD22 A ASN A 89 ? 1.06041 50.85040 23.55336 0.590 15.14614 H ? A ? 88 HD22 1
   ATOM 1849 N B ASN A 89 ? -2.96701 49.85095 23.60439 0.410 11.66869 N ? A ? 88 N 1
   ATOM 1850 CA B ASN A 89 ? -2.36804 50.45371 22.41967 0.410 14.00603 C ? A ? 88 CA 1
   ATOM 1851 C B ASN A 89 ? -2.95219 49.85104 21.12803 0.410 12.63259 C ? A ? 88 C 1
   ATOM 1852 O B ASN A 89 ? -3.05871 50.59841 20.11608 0.410 13.19559 O ? A ? 88 O 1
   ATOM 1853 CB B ASN A 89 ? -0.82149 50.35976 22.42387 0.410 12.23588 C ? A ? 88 CB 1
   ATOM 1854 CG B ASN A 89 ? -0.13116 51.42257 23.38485 0.410 12.69544 C ? A ? 88 CG 1
   ATOM 1855 OD1 B ASN A 89 ? 0.37592 52.45357 22.91140 0.410 14.31807 O ? A ? 88 OD1 1
   ATOM 1856 ND2 B ASN A 89 ? -0.02091 51.10399 24.66761 0.410 12.87860 N ? A ? 88 ND2 1
   ATOM 1857 H B ASN A 89 ? -2.39743 49.43562 24.09701 0.410 13.97486 H ? A ? 88 H 1
   ATOM 1858 HA B ASN A 89 ? -2.57342 51.40149 22.44015 0.410 16.77966 H ? A ? 88 HA 1
   ATOM 1859 HB2 B ASN A 89 ? -0.56121 49.47447 22.72288 0.410 14.65549 H ? A ? 88 HB2 1
   ATOM 1860 HB3 B ASN A 89 ? -0.49472 50.51537 21.52392 0.410 14.65549 H ? A ? 88 HB3 1
   ATOM 1861 HD21 B ASN A 89 ? 0.34682 51.65386 25.21716 0.410 15.42675 H ? A ? 88 HD21 1
   ATOM 1862 HD22 B ASN A 89 ? -0.31716 50.34755 24.94980 0.410 15.42675 H ? A ? 88 HD22 1
   ATOM 1863 N . ILE A 90 ? -3.36343 48.55123 21.12872 1.000 11.83243 N ? A ? 89 N 1
   ATOM 1864 CA . ILE A 90 ? -4.02090 47.89993 19.98732 1.000 13.08244 C ? A ? 89 CA 1
   ATOM 1865 C . ILE A 90 ? -5.41289 48.45198 19.84687 1.000 13.82957 C ? A ? 89 C 1
   ATOM 1866 O . ILE A 90 ? -5.87705 48.64505 18.71309 1.000 14.05073 O ? A ? 89 O 1
   ATOM 1867 CB . ILE A 90 ? -4.15694 46.38754 20.21133 1.000 12.68279 C ? A ? 89 CB 1
   ATOM 1868 CG1 . ILE A 90 ? -2.77819 45.63032 20.04647 1.000 14.16139 C ? A ? 89 CG1 1
   ATOM 1869 CG2 . ILE A 90 ? -5.10184 45.75773 19.19234 1.000 18.27153 C ? A ? 89 CG2 1
   ATOM 1870 CD1 . ILE A 90 ? -2.18200 45.63441 18.57029 1.000 15.78523 C ? A ? 89 CD1 1
   ATOM 1871 HA . ILE A 90 ? -3.47602 48.06948 19.20294 1.000 15.67136 H ? A ? 89 HA 1
   ATOM 1872 HB . ILE A 90 ? -4.49232 46.29793 21.11708 1.000 15.19178 H ? A ? 89 HB 1
   ATOM 1873 HG12 . ILE A 90 ? -2.12452 46.05275 20.62541 1.000 16.96610 H ? A ? 89 HG12 1
   ATOM 1874 HG13 . ILE A 90 ? -2.90308 44.70441 20.30723 1.000 16.96610 H ? A ? 89 HG13 1
   ATOM 1875 HG21 . ILE A 90 ? -4.94725 44.80044 19.16783 1.000 21.89827 H ? A ? 89 HG21 1
   ATOM 1876 HG22 . ILE A 90 ? -6.01742 45.93827 19.45692 1.000 21.89827 H ? A ? 89 HG22 1
   ATOM 1877 HG23 . ILE A 90 ? -4.92757 46.14339 18.31953 1.000 21.89827 H ? A ? 89 HG23 1
   ATOM 1878 HD11 . ILE A 90 ? -1.23712 45.41887 18.61073 1.000 18.91471 H ? A ? 89 HD11 1
   ATOM 1879 HD12 . ILE A 90 ? -2.65004 44.97154 18.03884 1.000 18.91471 H ? A ? 89 HD12 1
   ATOM 1880 HD13 . ILE A 90 ? -2.30406 46.51526 18.18285 1.000 18.91471 H ? A ? 89 HD13 1
   ATOM 1881 H A ILE A 90 ? -3.19984 48.03293 21.79520 0.590 14.17135 H ? A ? 89 H 1
   ATOM 1882 H B ILE A 90 ? -3.26599 48.02164 21.79927 0.410 14.17135 H ? A ? 89 H 1
   ATOM 1883 N . VAL A 91 ? -6.12865 48.78643 20.94249 1.000 14.35791 N ? A ? 90 N 1
   ATOM 1884 CA . VAL A 91 ? -7.44465 49.42178 20.87001 1.000 15.96817 C ? A ? 90 CA 1
   ATOM 1885 C . VAL A 91 ? -7.35137 50.74907 20.16821 1.000 13.52821 C ? A ? 90 C 1
   ATOM 1886 O . VAL A 91 ? -8.17764 51.03031 19.24019 1.000 15.49161 O ? A ? 90 O 1
   ATOM 1887 CB . VAL A 91 ? -8.08868 49.56804 22.27358 1.000 13.79013 C ? A ? 90 CB 1
   ATOM 1888 CG1 . VAL A 91 ? -9.39327 50.42926 22.17931 1.000 16.75299 C ? A ? 90 CG1 1
   ATOM 1889 CG2 . VAL A 91 ? -8.43401 48.30717 22.77193 1.000 16.44529 C ? A ? 90 CG2 1
   ATOM 1890 H . VAL A 91 ? -5.86343 48.65064 21.74922 1.000 17.20193 H ? A ? 90 H 1
   ATOM 1891 HA . VAL A 91 ? -8.01978 48.83854 20.35044 1.000 19.13423 H ? A ? 90 HA 1
   ATOM 1892 HB . VAL A 91 ? -7.45157 49.99757 22.86560 1.000 16.52058 H ? A ? 90 HB 1
   ATOM 1893 HG11 . VAL A 91 ? -9.91836 50.29619 22.98397 1.000 20.07602 H ? A ? 90 HG11 1
   ATOM 1894 HG12 . VAL A 91 ? -9.14905 51.36418 22.09454 1.000 20.07602 H ? A ? 90 HG12 1
   ATOM 1895 HG13 . VAL A 91 ? -9.90162 50.14842 21.40239 1.000 20.07602 H ? A ? 90 HG13 1
   ATOM 1896 HG21 . VAL A 91 ? -8.93058 48.41911 23.59764 1.000 19.70678 H ? A ? 90 HG21 1
   ATOM 1897 HG22 . VAL A 91 ? -8.98163 47.84761 22.11632 1.000 19.70678 H ? A ? 90 HG22 1
   ATOM 1898 HG23 . VAL A 91 ? -7.62368 47.80096 22.93931 1.000 19.70678 H ? A ? 90 HG23 1
   ATOM 1899 N . LYS A 92 ? -6.26567 51.51524 20.32945 1.000 14.46836 N ? A ? 91 N 1
   ATOM 1900 CA . LYS A 92 ? -6.10561 52.79155 19.71616 1.000 14.66742 C ? A ? 91 CA 1
   ATOM 1901 C . LYS A 92 ? -5.74218 52.59863 18.24782 1.000 16.06760 C ? A ? 91 C 1
   ATOM 1902 O . LYS A 92 ? -6.14826 53.40437 17.40301 1.000 13.96747 O ? A ? 91 O 1
   ATOM 1903 H . LYS A 92 ? -5.59089 51.29104 20.81319 1.000 17.33446 H ? A ? 91 H 1
   ATOM 1904 HA . LYS A 92 ? -6.92199 53.30612 19.81445 1.000 17.57334 H ? A ? 91 HA 1
   ATOM 1905 CB A LYS A 92 ? -4.97371 53.55964 20.37928 0.555 16.56705 C ? A ? 91 CB 1
   ATOM 1906 CG A LYS A 92 ? -5.34672 54.01071 21.70586 0.555 14.59951 C ? A ? 91 CG 1
   ATOM 1907 CD A LYS A 92 ? -4.14169 54.37499 22.56890 0.555 13.90489 C ? A ? 91 CD 1
   ATOM 1908 CE A LYS A 92 ? -3.22415 55.38134 21.90991 0.555 16.14923 C ? A ? 91 CE 1
   ATOM 1909 NZ A LYS A 92 ? -2.12059 54.61107 21.20211 0.555 15.25165 N ? A ? 91 NZ 1
   ATOM 1910 HB2 A LYS A 92 ? -4.19795 52.98278 20.45894 0.555 19.85288 H ? A ? 91 HB2 1
   ATOM 1911 HB3 A LYS A 92 ? -4.75531 54.33698 19.84176 0.555 19.85288 H ? A ? 91 HB3 1
   ATOM 1912 HG2 A LYS A 92 ? -5.90658 54.79879 21.62597 0.555 17.49184 H ? A ? 91 HG2 1
   ATOM 1913 HG3 A LYS A 92 ? -5.83336 53.30222 22.15544 0.555 17.49184 H ? A ? 91 HG3 1
   ATOM 1914 HD2 A LYS A 92 ? -4.45534 54.75852 23.40282 0.555 16.65830 H ? A ? 91 HD2 1
   ATOM 1915 HD3 A LYS A 92 ? -3.62633 53.57251 22.74591 0.555 16.65830 H ? A ? 91 HD3 1
   ATOM 1916 HE2 A LYS A 92 ? -3.71555 55.90726 21.25965 0.555 19.35150 H ? A ? 91 HE2 1
   ATOM 1917 HE3 A LYS A 92 ? -2.83042 55.96372 22.57827 0.555 19.35150 H ? A ? 91 HE3 1
   ATOM 1918 HZ1 A LYS A 92 ? -2.03411 54.90264 20.36569 0.555 18.27441 H ? A ? 91 HZ1 1
   ATOM 1919 HZ2 A LYS A 92 ? -1.34797 54.72484 21.62898 0.555 18.27441 H ? A ? 91 HZ2 1
   ATOM 1920 HZ3 A LYS A 92 ? -2.31692 53.74313 21.18659 0.555 18.27441 H ? A ? 91 HZ3 1
   ATOM 1921 CB B LYS A 92 ? -4.98014 53.54260 20.40890 0.445 16.56312 C ? A ? 91 CB 1
   ATOM 1922 CG B LYS A 92 ? -4.82882 54.90524 19.91622 0.445 16.28677 C ? A ? 91 CG 1
   ATOM 1923 CD B LYS A 92 ? -3.88519 55.69240 20.83903 0.445 19.69023 C ? A ? 91 CD 1
   ATOM 1924 CE B LYS A 92 ? -2.52664 55.81290 20.24329 0.445 22.32908 C ? A ? 91 CE 1
   ATOM 1925 NZ B LYS A 92 ? -2.49050 56.52027 18.90906 0.445 21.69536 N ? A ? 91 NZ 1
   ATOM 1926 HB2 B LYS A 92 ? -5.16706 53.58546 21.35975 0.445 19.84817 H ? A ? 91 HB2 1
   ATOM 1927 HB3 B LYS A 92 ? -4.14543 53.07283 20.25572 0.445 19.84817 H ? A ? 91 HB3 1
   ATOM 1928 HG2 B LYS A 92 ? -4.45070 54.89048 19.02307 0.445 19.51655 H ? A ? 91 HG2 1
   ATOM 1929 HG3 B LYS A 92 ? -5.69242 55.34674 19.90361 0.445 19.51655 H ? A ? 91 HG3 1
   ATOM 1930 HD2 B LYS A 92 ? -4.23929 56.58488 20.97681 0.445 23.60071 H ? A ? 91 HD2 1
   ATOM 1931 HD3 B LYS A 92 ? -3.80695 55.23165 21.68902 0.445 23.60071 H ? A ? 91 HD3 1
   ATOM 1932 HE2 B LYS A 92 ? -1.96329 56.31253 20.85476 0.445 26.76733 H ? A ? 91 HE2 1
   ATOM 1933 HE3 B LYS A 92 ? -2.16560 54.92220 20.11216 0.445 26.76733 H ? A ? 91 HE3 1
   ATOM 1934 HZ1 B LYS A 92 ? -1.68507 56.43382 18.54041 0.445 26.00686 H ? A ? 91 HZ1 1
   ATOM 1935 HZ2 B LYS A 92 ? -3.09793 56.16885 18.36166 0.445 26.00686 H ? A ? 91 HZ2 1
   ATOM 1936 HZ3 B LYS A 92 ? -2.66666 57.38577 19.01852 0.445 26.00686 H ? A ? 91 HZ3 1
   ATOM 1937 N . LEU A 93 ? -4.93604 51.58161 17.90389 1.000 13.82605 N ? A ? 92 N 1
   ATOM 1938 CA . LEU A 93 ? -4.74559 51.19370 16.51525 1.000 14.34212 C ? A ? 92 CA 1
   ATOM 1939 C . LEU A 93 ? -6.06287 50.82344 15.81082 1.000 13.11470 C ? A ? 92 C 1
   ATOM 1940 O . LEU A 93 ? -6.29428 51.21251 14.62858 1.000 13.71873 O ? A ? 92 O 1
   ATOM 1941 CB . LEU A 93 ? -3.73581 50.05953 16.43657 1.000 13.18693 C ? A ? 92 CB 1
   ATOM 1942 CG . LEU A 93 ? -3.26419 49.72433 15.00409 1.000 13.23866 C ? A ? 92 CG 1
   ATOM 1943 CD1 . LEU A 93 ? -2.53975 50.85861 14.40095 1.000 14.60413 C ? A ? 92 CD1 1
   ATOM 1944 CD2 . LEU A 93 ? -2.39830 48.55212 15.08272 1.000 13.08776 C ? A ? 92 CD2 1
   ATOM 1945 H . LEU A 93 ? -4.49027 51.10385 18.46302 1.000 16.56369 H ? A ? 92 H 1
   ATOM 1946 HA . LEU A 93 ? -4.38919 51.95747 16.03511 1.000 17.18298 H ? A ? 92 HA 1
   ATOM 1947 HB2 . LEU A 93 ? -2.95321 50.30641 16.95375 1.000 15.79675 H ? A ? 92 HB2 1
   ATOM 1948 HB3 . LEU A 93 ? -4.14012 49.25980 16.80789 1.000 15.79675 H ? A ? 92 HB3 1
   ATOM 1949 HG . LEU A 93 ? -4.02666 49.54250 14.43271 1.000 15.85882 H ? A ? 92 HG 1
   ATOM 1950 HD11 . LEU A 93 ? -2.14029 50.56987 13.56551 1.000 17.49738 H ? A ? 92 HD11 1
   ATOM 1951 HD12 . LEU A 93 ? -3.16550 51.58121 14.23607 1.000 17.49738 H ? A ? 92 HD12 1
   ATOM 1952 HD13 . LEU A 93 ? -1.84809 51.15338 15.01384 1.000 17.49738 H ? A ? 92 HD13 1
   ATOM 1953 HD21 . LEU A 93 ? -2.06726 48.34393 14.19505 1.000 15.67774 H ? A ? 92 HD21 1
   ATOM 1954 HD22 . LEU A 93 ? -1.65562 48.74729 15.67537 1.000 15.67774 H ? A ? 92 HD22 1
   ATOM 1955 HD23 . LEU A 93 ? -2.90993 47.80421 15.42879 1.000 15.67774 H ? A ? 92 HD23 1
   ATOM 1956 N . SER A 94 ? -6.87354 49.95931 16.41520 1.000 13.07528 N ? A ? 93 N 1
   ATOM 1957 CA . SER A 94 ? -8.18821 49.71191 15.85171 1.000 15.16011 C ? A ? 93 CA 1
   ATOM 1958 C . SER A 94 ? -8.92667 50.99500 15.57213 1.000 13.40101 C ? A ? 93 C 1
   ATOM 1959 O . SER A 94 ? -9.62620 51.10633 14.55774 1.000 14.30921 O ? A ? 93 O 1
   ATOM 1960 CB . SER A 94 ? -8.91104 48.78485 16.81314 1.000 15.25124 C ? A ? 93 CB 1
   ATOM 1961 OG . SER A 94 ? -8.39897 47.49105 16.81190 1.000 16.53742 O ? A ? 93 OG 1
   ATOM 1962 H . SER A 94 ? -6.68909 49.51855 17.13026 1.000 15.66276 H ? A ? 93 H 1
   ATOM 1963 HA . SER A 94 ? -8.13254 49.27311 14.98843 1.000 18.16456 H ? A ? 93 HA 1
   ATOM 1964 HB2 . SER A 94 ? -8.82796 49.14682 17.70923 1.000 18.27392 H ? A ? 93 HB2 1
   ATOM 1965 HB3 . SER A 94 ? -9.84569 48.74511 16.55673 1.000 18.27392 H ? A ? 93 HB3 1
   ATOM 1966 HG . SER A 94 ? -7.58389 47.50448 17.01455 1.000 19.81733 H ? A ? 93 HG 1
   ATOM 1967 N . ALA A 95 ? -9.00253 51.88686 16.55720 1.000 14.55508 N ? A ? 94 N 1
   ATOM 1968 CA . ALA A 95 ? -9.71952 53.14024 16.31097 1.000 15.23756 C ? A ? 94 CA 1
   ATOM 1969 C . ALA A 95 ? -9.19671 53.88831 15.11457 1.000 15.47437 C ? A ? 94 C 1
   ATOM 1970 O . ALA A 95 ? -10.00392 54.42659 14.31991 1.000 15.25598 O ? A ? 94 O 1
   ATOM 1971 CB . ALA A 95 ? -9.74014 53.94771 17.63221 1.000 14.76087 C ? A ? 94 CB 1
   ATOM 1972 H . ALA A 95 ? -8.66389 51.79732 17.34264 1.000 17.43853 H ? A ? 94 H 1
   ATOM 1973 HA . ALA A 95 ? -10.64265 52.96558 16.06966 1.000 18.25750 H ? A ? 94 HA 1
   ATOM 1974 HB1 . ALA A 95 ? -10.26955 54.75027 17.50361 1.000 17.68547 H ? A ? 94 HB1 1
   ATOM 1975 HB2 . ALA A 95 ? -10.13282 53.40078 18.33048 1.000 17.68547 H ? A ? 94 HB2 1
   ATOM 1976 HB3 . ALA A 95 ? -8.83068 54.18609 17.87087 1.000 17.68547 H ? A ? 94 HB3 1
   ATOM 1977 N . ALA A 96 ? -7.91012 54.06096 14.96750 1.000 14.88006 N ? A ? 95 N 1
   ATOM 1978 CA . ALA A 96 ? -7.29843 54.73989 13.82619 1.000 14.30223 C ? A ? 95 CA 1
   ATOM 1979 C . ALA A 96 ? -7.61423 54.05930 12.51000 1.000 14.68644 C ? A ? 95 C 1
   ATOM 1980 O . ALA A 96 ? -8.02727 54.74994 11.56214 1.000 15.73740 O ? A ? 95 O 1
   ATOM 1981 CB . ALA A 96 ? -5.81089 54.73798 14.05040 1.000 16.00908 C ? A ? 95 CB 1
   ATOM 1982 H . ALA A 96 ? -7.32620 53.78561 15.53567 1.000 17.82850 H ? A ? 95 H 1
   ATOM 1983 HA . ALA A 96 ? -7.64139 55.64523 13.76602 1.000 17.13511 H ? A ? 95 HA 1
   ATOM 1984 HB1 . ALA A 96 ? -5.37659 55.15791 13.29149 1.000 19.18333 H ? A ? 95 HB1 1
   ATOM 1985 HB2 . ALA A 96 ? -5.61299 55.23337 14.86055 1.000 19.18333 H ? A ? 95 HB2 1
   ATOM 1986 HB3 . ALA A 96 ? -5.50625 53.82146 14.14038 1.000 19.18333 H ? A ? 95 HB3 1
   ATOM 1987 N . ALA A 97 ? -7.59313 52.72757 12.49108 1.000 12.61966 N ? A ? 96 N 1
   ATOM 1988 CA . ALA A 97 ? -7.90293 52.02338 11.24893 1.000 13.06178 C ? A ? 96 CA 1
   ATOM 1989 C . ALA A 97 ? -9.36643 52.12315 10.98134 1.000 13.29496 C ? A ? 96 C 1
   ATOM 1990 O . ALA A 97 ? -9.77018 52.21940 9.77445 1.000 14.58057 O ? A ? 96 O 1
   ATOM 1991 CB . ALA A 97 ? -7.52817 50.56508 11.44330 1.000 14.92271 C ? A ? 96 CB 1
   ATOM 1992 H . ALA A 97 ? -7.40836 52.22306 13.16260 1.000 15.11602 H ? A ? 96 H 1
   ATOM 1993 HA . ALA A 97 ? -7.41041 52.39499 10.50044 1.000 15.64657 H ? A ? 96 HA 1
   ATOM 1994 HB1 . ALA A 97 ? -7.71956 50.07826 10.62643 1.000 17.87968 H ? A ? 96 HB1 1
   ATOM 1995 HB2 . ALA A 97 ? -6.58204 50.50688 11.64909 1.000 17.87968 H ? A ? 96 HB2 1
   ATOM 1996 HB3 . ALA A 97 ? -8.04905 50.20007 12.17566 1.000 17.87968 H ? A ? 96 HB3 1
   ATOM 1997 N . ASP A 98 ? -10.21339 52.02314 11.98446 1.000 14.76740 N ? A ? 97 N 1
   ATOM 1998 CA . ASP A 98 ? -11.62259 52.08242 11.72735 1.000 17.63631 C ? A ? 97 CA 1
   ATOM 1999 C . ASP A 98 ? -12.01730 53.47028 11.28819 1.000 16.37246 C ? A ? 97 C 1
   ATOM 2000 O . ASP A 98 ? -13.00435 53.62852 10.50226 1.000 20.09754 O ? A ? 97 O 1
   ATOM 2001 CB . ASP A 98 ? -12.43066 51.81163 13.00109 1.000 17.21920 C ? A ? 97 CB 1
   ATOM 2002 CG . ASP A 98 ? -12.46087 50.34329 13.41285 1.000 17.54755 C ? A ? 97 CG 1
   ATOM 2003 OD1 . ASP A 98 ? -11.88009 49.49573 12.60049 1.000 17.45136 O ? A ? 97 OD1 1
   ATOM 2004 OD2 . ASP A 98 ? -13.02931 49.96180 14.53654 1.000 18.27731 O ? A ? 97 OD2 1
   ATOM 2005 H . ASP A 98 ? -9.99548 51.92188 12.81021 1.000 17.69331 H ? A ? 97 H 1
   ATOM 2006 HA . ASP A 98 ? -11.83085 51.40926 11.06073 1.000 21.13601 H ? A ? 97 HA 1
   ATOM 2007 HB2 . ASP A 98 ? -12.03881 52.31505 13.73180 1.000 20.63547 H ? A ? 97 HB2 1
   ATOM 2008 HB3 . ASP A 98 ? -13.34648 52.09629 12.85570 1.000 20.63547 H ? A ? 97 HB3 1
   ATOM 2009 N . ALA A 99 ? -11.22547 54.49977 11.61034 1.000 16.62436 N ? A ? 98 N 1
   ATOM 2010 CA . ALA A 99 ? -11.46395 55.87178 11.21174 1.000 18.60491 C ? A ? 98 CA 1
   ATOM 2011 C . ALA A 99 ? -10.95990 56.14942 9.81386 1.000 18.57207 C ? A ? 98 C 1
   ATOM 2012 O . ALA A 99 ? -11.33443 57.18155 9.18261 1.000 19.97438 O ? A ? 98 O 1
   ATOM 2013 CB . ALA A 99 ? -10.92280 56.89877 12.18443 1.000 20.10987 C ? A ? 98 CB 1
   ATOM 2014 H . ALA A 99 ? -10.51133 54.41664 12.08225 1.000 19.92166 H ? A ? 98 H 1
   ATOM 2015 HA . ALA A 99 ? -12.42402 56.00784 11.23765 1.000 22.29832 H ? A ? 98 HA 1
   ATOM 2016 HB1 . ALA A 99 ? -11.11712 57.78698 11.84646 1.000 24.10428 H ? A ? 98 HB1 1
   ATOM 2017 HB2 . ALA A 99 ? -11.34889 56.77239 13.04663 1.000 24.10428 H ? A ? 98 HB2 1
   ATOM 2018 HB3 . ALA A 99 ? -9.96387 56.77938 12.26869 1.000 24.10428 H ? A ? 98 HB3 1
   ATOM 2019 N . GLY A 100 ? -10.06354 55.31822 9.27042 1.000 17.92854 N ? A ? 99 N 1
   ATOM 2020 CA . GLY A 100 ? -9.55894 55.51602 7.91191 1.000 17.56729 C ? A ? 99 CA 1
   ATOM 2021 C . GLY A 100 ? -8.54772 56.63257 7.77405 1.000 18.34103 C ? A ? 99 C 1
   ATOM 2022 O . GLY A 100 ? -8.43554 57.28366 6.73149 1.000 22.16164 O ? A ? 99 O 1
   ATOM 2023 H . GLY A 100 ? -9.73254 54.63203 9.66940 1.000 21.48667 H ? A ? 99 H 1
   ATOM 2024 HA2 . GLY A 100 ? -9.13763 54.69507 7.61285 1.000 21.05318 H ? A ? 99 HA2 1
   ATOM 2025 HA3 . GLY A 100 ? -10.30639 55.71837 7.32772 1.000 21.05318 H ? A ? 99 HA3 1
   ATOM 2026 N . ASP A 101 ? -7.79780 56.90919 8.83796 1.000 21.42231 N ? A ? 100 N 1
   ATOM 2027 CA . ASP A 101 ? -6.94817 58.10034 8.88452 1.000 26.83136 C ? A ? 100 CA 1
   ATOM 2028 C . ASP A 101 ? -5.49534 57.67851 8.98313 1.000 21.17508 C ? A ? 100 C 1
   ATOM 2029 O . ASP A 101 ? -5.08766 57.20406 10.07502 1.000 20.34975 O ? A ? 100 O 1
   ATOM 2030 CB . ASP A 101 ? -7.32070 58.90283 10.13555 1.000 32.25697 C ? A ? 100 CB 1
   ATOM 2031 CG . ASP A 101 ? -6.49677 60.21310 10.31576 1.000 36.85331 C ? A ? 100 CG 1
   ATOM 2032 OD1 . ASP A 101 ? -5.31755 60.23822 10.00955 1.000 30.96631 O ? A ? 100 OD1 1
   ATOM 2033 OD2 . ASP A 101 ? -7.09376 61.26270 10.63972 1.000 48.41618 O ? A ? 100 OD2 1
   ATOM 2034 H . ASP A 101 ? -7.76360 56.42223 9.54599 1.000 25.67921 H ? A ? 100 H 1
   ATOM 2035 HA . ASP A 101 ? -7.05973 58.61973 8.07293 1.000 32.17007 H ? A ? 100 HA 1
   ATOM 2036 HB2 . ASP A 101 ? -8.25734 59.14886 10.08025 1.000 38.68079 H ? A ? 100 HB2 1
   ATOM 2037 HB3 . ASP A 101 ? -7.16872 58.34917 10.91739 1.000 38.68079 H ? A ? 100 HB3 1
   ATOM 2038 N . LEU A 102 ? -4.72837 57.91916 7.91753 1.000 22.60811 N ? A ? 101 N 1
   ATOM 2039 CA . LEU A 102 ? -3.35605 57.45473 7.82357 1.000 20.74993 C ? A ? 101 CA 1
   ATOM 2040 C . LEU A 102 ? -2.50703 58.12626 8.91014 1.000 21.96123 C ? A ? 101 C 1
   ATOM 2041 O . LEU A 102 ? -1.63144 57.47489 9.49423 1.000 17.36549 O ? A ? 101 O 1
   ATOM 2042 CB . LEU A 102 ? -2.70069 57.64390 6.44424 1.000 21.34390 C ? A ? 101 CB 1
   ATOM 2043 CG . LEU A 102 ? -1.31420 57.12356 6.14196 1.000 19.43180 C ? A ? 101 CG 1
   ATOM 2044 CD1 . LEU A 102 ? -1.12264 55.62601 6.46344 1.000 18.78165 C ? A ? 101 CD1 1
   ATOM 2045 CD2 . LEU A 102 ? -0.90420 57.45384 4.62547 1.000 21.58235 C ? A ? 101 CD2 1
   ATOM 2046 H . LEU A 102 ? -4.98822 58.35783 7.22496 1.000 27.10216 H ? A ? 101 H 1
   ATOM 2047 HA . LEU A 102 ? -3.38416 56.49270 7.94439 1.000 24.87235 H ? A ? 101 HA 1
   ATOM 2048 HB2 . LEU A 102 ? -3.28585 57.22055 5.79674 1.000 25.58512 H ? A ? 101 HB2 1
   ATOM 2049 HB3 . LEU A 102 ? -2.66255 58.59948 6.28200 1.000 25.58512 H ? A ? 101 HB3 1
   ATOM 2050 HG . LEU A 102 ? -0.70481 57.58759 6.73713 1.000 23.29059 H ? A ? 101 HG 1
   ATOM 2051 HD11 . LEU A 102 ? -0.24788 55.34553 6.15194 1.000 22.51042 H ? A ? 101 HD11 1
   ATOM 2052 HD12 . LEU A 102 ? -1.18892 55.49794 7.42266 1.000 22.51042 H ? A ? 101 HD12 1
   ATOM 2053 HD13 . LEU A 102 ? -1.81354 55.11544 6.01303 1.000 22.51042 H ? A ? 101 HD13 1
   ATOM 2054 HD21 . LEU A 102 ? -0.02534 57.08361 4.44815 1.000 25.87125 H ? A ? 101 HD21 1
   ATOM 2055 HD22 . LEU A 102 ? -1.55713 57.05663 4.02814 1.000 25.87125 H ? A ? 101 HD22 1
   ATOM 2056 HD23 . LEU A 102 ? -0.88815 58.41621 4.50512 1.000 25.87125 H ? A ? 101 HD23 1
   ATOM 2057 N . ASP A 103 ? -2.74643 59.41066 9.20861 1.000 22.66790 N ? A ? 102 N 1
   ATOM 2058 CA . ASP A 103 ? -1.95183 60.06562 10.26579 1.000 21.10132 C ? A ? 102 CA 1
   ATOM 2059 C . ASP A 103 ? -2.17797 59.43001 11.60568 1.000 20.63292 C ? A ? 102 C 1
   ATOM 2060 O . ASP A 103 ? -1.21114 59.17959 12.38359 1.000 18.48945 O ? A ? 102 O 1
   ATOM 2061 CB . ASP A 103 ? -2.35140 61.52448 10.39935 1.000 26.53924 C ? A ? 102 CB 1
   ATOM 2062 CG . ASP A 103 ? -1.79391 62.33392 9.32914 1.000 32.59006 C ? A ? 102 CG 1
   ATOM 2063 OD1 . ASP A 103 ? -2.60450 62.86972 8.53750 1.000 38.14999 O ? A ? 102 OD1 1
   ATOM 2064 OD2 . ASP A 103 ? -0.56548 62.41780 9.26371 1.000 44.60501 O ? A ? 102 OD2 1
   ATOM 2065 H . ASP A 103 ? -3.33816 59.90785 8.83145 1.000 27.17391 H ? A ? 102 H 1
   ATOM 2066 HA . ASP A 103 ? -1.02028 59.98634 10.00729 1.000 25.29402 H ? A ? 102 HA 1
   ATOM 2067 HB2 . ASP A 103 ? -3.31807 61.59631 10.36352 1.000 31.81952 H ? A ? 102 HB2 1
   ATOM 2068 HB3 . ASP A 103 ? -2.02415 61.87004 11.24457 1.000 31.81952 H ? A ? 102 HB3 1
   ATOM 2069 N A LYS A 104 ? -3.43040 59.20028 11.96030 0.634 21.89067 N ? A ? 103 N 1
   ATOM 2070 CA A LYS A 104 ? -3.67311 58.52522 13.21015 0.634 22.10447 C ? A ? 103 CA 1
   ATOM 2071 C A LYS A 104 ? -3.15558 57.09350 13.21789 0.634 18.76881 C ? A ? 103 C 1
   ATOM 2072 O A LYS A 104 ? -2.77744 56.58235 14.29826 0.634 16.56242 O ? A ? 103 O 1
   ATOM 2073 CB A LYS A 104 ? -5.15353 58.55690 13.53955 0.634 28.12322 C ? A ? 103 CB 1
   ATOM 2074 CG A LYS A 104 ? -5.70125 59.98909 13.72319 0.634 32.18078 C ? A ? 103 CG 1
   ATOM 2075 CD A LYS A 104 ? -7.23214 59.96121 13.82016 0.634 35.74186 C ? A ? 103 CD 1
   ATOM 2076 CE A LYS A 104 ? -7.79675 61.37993 13.97071 0.634 42.66120 C ? A ? 103 CE 1
   ATOM 2077 NZ A LYS A 104 ? -7.19546 62.10607 15.13603 0.634 43.07249 N ? A ? 103 NZ 1
   ATOM 2078 H A LYS A 104 ? -4.12926 59.41858 11.50914 0.634 26.24124 H ? A ? 103 H 1
   ATOM 2079 HA A LYS A 104 ? -3.19523 59.00297 13.90605 0.634 26.49779 H ? A ? 103 HA 1
   ATOM 2080 HB2 A LYS A 104 ? -5.64584 58.13878 12.81588 0.634 33.72030 H ? A ? 103 HB2 1
   ATOM 2081 HB3 A LYS A 104 ? -5.30237 58.07138 14.36601 0.634 33.72030 H ? A ? 103 HB3 1
   ATOM 2082 HG2 A LYS A 104 ? -5.34532 60.37244 14.54005 0.634 38.58936 H ? A ? 103 HG2 1
   ATOM 2083 HG3 A LYS A 104 ? -5.44821 60.53535 12.96262 0.634 38.58936 H ? A ? 103 HG3 1
   ATOM 2084 HD2 A LYS A 104 ? -7.60039 59.56778 13.01362 0.634 42.86266 H ? A ? 103 HD2 1
   ATOM 2085 HD3 A LYS A 104 ? -7.49795 59.44080 14.59438 0.634 42.86266 H ? A ? 103 HD3 1
   ATOM 2086 HE2 A LYS A 104 ? -7.60393 61.88673 13.16643 0.634 51.16587 H ? A ? 103 HE2 1
   ATOM 2087 HE3 A LYS A 104 ? -8.75553 61.32845 14.10852 0.634 51.16587 H ? A ? 103 HE3 1
   ATOM 2088 HZ1 A LYS A 104 ? -7.58273 62.90167 15.23164 0.634 51.65942 H ? A ? 103 HZ1 1
   ATOM 2089 HZ2 A LYS A 104 ? -7.31421 61.63551 15.88206 0.634 51.65942 H ? A ? 103 HZ2 1
   ATOM 2090 HZ3 A LYS A 104 ? -6.32312 62.22342 15.00432 0.634 51.65942 H ? A ? 103 HZ3 1
   ATOM 2091 N B LYS A 104 ? -3.44034 59.22773 11.96975 0.366 21.94018 N ? A ? 103 N 1
   ATOM 2092 CA B LYS A 104 ? -3.71571 58.50226 13.19295 0.366 22.10091 C ? A ? 103 CA 1
   ATOM 2093 C B LYS A 104 ? -3.06693 57.13009 13.15875 0.366 18.73051 C ? A ? 103 C 1
   ATOM 2094 O B LYS A 104 ? -2.30100 56.76204 14.07419 0.366 16.93137 O ? A ? 103 O 1
   ATOM 2095 CB B LYS A 104 ? -5.22361 58.36456 13.38988 0.366 27.87217 C ? A ? 103 CB 1
   ATOM 2096 CG B LYS A 104 ? -5.97554 59.69819 13.58761 0.366 32.31478 C ? A ? 103 CG 1
   ATOM 2097 CD B LYS A 104 ? -7.49200 59.42834 13.69668 0.366 33.42374 C ? A ? 103 CD 1
   ATOM 2098 CE B LYS A 104 ? -8.32329 60.71200 13.68188 0.366 39.28088 C ? A ? 103 CE 1
   ATOM 2099 NZ B LYS A 104 ? -8.16527 61.48360 14.96094 0.366 35.58861 N ? A ? 103 NZ 1
   ATOM 2100 H B LYS A 104 ? -4.13314 59.49438 11.53556 0.366 26.30064 H ? A ? 103 H 1
   ATOM 2101 HA B LYS A 104 ? -3.35371 59.00041 13.94242 0.366 26.49352 H ? A ? 103 HA 1
   ATOM 2102 HB2 B LYS A 104 ? -5.59799 57.93204 12.60651 0.366 33.41904 H ? A ? 103 HB2 1
   ATOM 2103 HB3 B LYS A 104 ? -5.38270 57.82057 14.17707 0.366 33.41904 H ? A ? 103 HB3 1
   ATOM 2104 HG2 B LYS A 104 ? -5.67479 60.12669 14.40422 0.366 38.75017 H ? A ? 103 HG2 1
   ATOM 2105 HG3 B LYS A 104 ? -5.81554 60.28091 12.82884 0.366 38.75017 H ? A ? 103 HG3 1
   ATOM 2106 HD2 B LYS A 104 ? -7.77116 58.88191 12.94542 0.366 40.08091 H ? A ? 103 HD2 1
   ATOM 2107 HD3 B LYS A 104 ? -7.67193 58.96443 14.52933 0.366 40.08091 H ? A ? 103 HD3 1
   ATOM 2108 HE2 B LYS A 104 ? -8.03190 61.27506 12.94775 0.366 47.10949 H ? A ? 103 HE2 1
   ATOM 2109 HE3 B LYS A 104 ? -9.26068 60.48653 13.57524 0.366 47.10949 H ? A ? 103 HE3 1
   ATOM 2110 HZ1 B LYS A 104 ? -8.51711 62.29621 14.87167 0.366 42.67876 H ? A ? 103 HZ1 1
   ATOM 2111 HZ2 B LYS A 104 ? -8.58026 61.06051 15.62492 0.366 42.67876 H ? A ? 103 HZ2 1
   ATOM 2112 HZ3 B LYS A 104 ? -7.30236 61.56316 15.16381 0.366 42.67876 H ? A ? 103 HZ3 1
   ATOM 2113 N A LEU A 105 ? -3.08401 56.45221 12.04159 0.634 17.37228 N ? A ? 104 N 1
   ATOM 2114 CA A LEU A 105 ? -2.55872 55.08847 11.97089 0.634 15.75099 C ? A ? 104 CA 1
   ATOM 2115 C A LEU A 105 ? -1.06555 55.06646 12.17286 0.634 14.98854 C ? A ? 104 C 1
   ATOM 2116 O A LEU A 105 ? -0.53573 54.23803 12.92795 0.634 13.60111 O ? A ? 104 O 1
   ATOM 2117 CB A LEU A 105 ? -2.94638 54.49579 10.63321 0.634 17.16883 C ? A ? 104 CB 1
   ATOM 2118 CG A LEU A 105 ? -2.77058 53.00257 10.53180 0.634 16.34453 C ? A ? 104 CG 1
   ATOM 2119 CD1 A LEU A 105 ? -3.91248 52.28192 11.12600 0.634 16.41168 C ? A ? 104 CD1 1
   ATOM 2120 CD2 A LEU A 105 ? -2.50031 52.52898 9.13205 0.634 17.42384 C ? A ? 104 CD2 1
   ATOM 2121 H A LEU A 105 ? -3.32928 56.78099 11.28572 0.634 20.81916 H ? A ? 104 H 1
   ATOM 2122 HA A LEU A 105 ? -2.94532 54.54340 12.67399 0.634 18.87362 H ? A ? 104 HA 1
   ATOM 2123 HB2 A LEU A 105 ? -3.88202 54.69230 10.46930 0.634 20.57503 H ? A ? 104 HB2 1
   ATOM 2124 HB3 A LEU A 105 ? -2.39649 54.90276 9.94554 0.634 20.57503 H ? A ? 104 HB3 1
   ATOM 2125 HG A LEU A 105 ? -1.97753 52.78288 11.04533 0.634 19.58586 H ? A ? 104 HG 1
   ATOM 2126 HD11 A LEU A 105 ? -3.78489 51.32874 10.99923 0.634 19.66645 H ? A ? 104 HD11 1
   ATOM 2127 HD12 A LEU A 105 ? -3.95682 52.48664 12.07312 0.634 19.66645 H ? A ? 104 HD12 1
   ATOM 2128 HD13 A LEU A 105 ? -4.72906 52.56758 10.68726 0.634 19.66645 H ? A ? 104 HD13 1
   ATOM 2129 HD21 A LEU A 105 ? -2.33344 51.57359 9.14860 0.634 20.88104 H ? A ? 104 HD21 1
   ATOM 2130 HD22 A LEU A 105 ? -3.27400 52.72011 8.57908 0.634 20.88104 H ? A ? 104 HD22 1
   ATOM 2131 HD23 A LEU A 105 ? -1.72303 52.99457 8.78569 0.634 20.88104 H ? A ? 104 HD23 1
   ATOM 2132 N B LEU A 105 ? -3.41564 56.34122 12.12852 0.366 17.57356 N ? A ? 104 N 1
   ATOM 2133 CA B LEU A 105 ? -2.87316 54.99250 11.98761 0.366 16.24570 C ? A ? 104 CA 1
   ATOM 2134 C B LEU A 105 ? -1.40022 54.97470 12.27616 0.366 14.97359 C ? A ? 104 C 1
   ATOM 2135 O B LEU A 105 ? -0.95786 54.17215 13.10347 0.366 12.74254 O ? A ? 104 O 1
   ATOM 2136 CB B LEU A 105 ? -3.13759 54.43344 10.60312 0.366 17.22450 C ? A ? 104 CB 1
   ATOM 2137 CG B LEU A 105 ? -2.51590 53.08498 10.19605 0.366 15.78864 C ? A ? 104 CG 1
   ATOM 2138 CD1 B LEU A 105 ? -3.32559 51.94461 10.85317 0.366 14.03047 C ? A ? 104 CD1 1
   ATOM 2139 CD2 B LEU A 105 ? -2.49924 52.96362 8.66228 0.366 16.78090 C ? A ? 104 CD2 1
   ATOM 2140 H B LEU A 105 ? -3.96193 56.56694 11.50384 0.366 21.06070 H ? A ? 104 H 1
   ATOM 2141 HA B LEU A 105 ? -3.32825 54.41793 12.62295 0.366 19.46727 H ? A ? 104 HA 1
   ATOM 2142 HB2 B LEU A 105 ? -4.09766 54.32789 10.51352 0.366 20.64183 H ? A ? 104 HB2 1
   ATOM 2143 HB3 B LEU A 105 ? -2.81434 55.08595 9.96230 0.366 20.64183 H ? A ? 104 HB3 1
   ATOM 2144 HG B LEU A 105 ? -1.59717 53.01726 10.49978 0.366 18.91880 H ? A ? 104 HG 1
   ATOM 2145 HD11 B LEU A 105 ? -2.94715 51.09296 10.58415 0.366 16.80899 H ? A ? 104 HD11 1
   ATOM 2146 HD12 B LEU A 105 ? -3.27744 52.03815 11.81744 0.366 16.80899 H ? A ? 104 HD12 1
   ATOM 2147 HD13 B LEU A 105 ? -4.24859 52.00356 10.56079 0.366 16.80899 H ? A ? 104 HD13 1
   ATOM 2148 HD21 B LEU A 105 ? -2.21400 52.06889 8.41937 0.366 20.10952 H ? A ? 104 HD21 1
   ATOM 2149 HD22 B LEU A 105 ? -3.39253 53.12966 8.32264 0.366 20.10952 H ? A ? 104 HD22 1
   ATOM 2150 HD23 B LEU A 105 ? -1.88092 53.61758 8.30045 0.366 20.10952 H ? A ? 104 HD23 1
   ATOM 2151 N A ARG A 106 ? -0.36557 56.02142 11.65576 0.634 15.38030 N ? A ? 105 N 1
   ATOM 2152 CA A ARG A 106 ? 1.07043 56.07109 11.80891 0.634 15.59323 C ? A ? 105 CA 1
   ATOM 2153 C A ARG A 106 ? 1.43494 56.25733 13.26800 0.634 15.44356 C ? A ? 105 C 1
   ATOM 2154 O A ARG A 106 ? 2.42797 55.66238 13.75997 0.634 14.14715 O ? A ? 105 O 1
   ATOM 2155 CB A ARG A 106 ? 1.57328 57.32157 11.06070 0.634 18.31092 C ? A ? 105 CB 1
   ATOM 2156 CG A ARG A 106 ? 1.66145 57.32987 9.62192 0.634 23.34021 C ? A ? 105 CG 1
   ATOM 2157 CD A ARG A 106 ? 2.81413 58.35490 9.13714 0.634 24.30838 C ? A ? 105 CD 1
   ATOM 2158 NE A ARG A 106 ? 2.86635 59.66012 9.82542 0.634 25.73192 N ? A ? 105 NE 1
   ATOM 2159 CZ A ARG A 106 ? 3.90486 60.49879 9.76466 0.634 21.88926 C ? A ? 105 CZ 1
   ATOM 2160 NH1 A ARG A 106 ? 5.04825 60.10287 9.25393 0.634 21.67963 N ? A ? 105 NH1 1
   ATOM 2161 NH2 A ARG A 106 ? 3.77563 61.75129 10.18653 0.634 21.35697 N ? A ? 105 NH2 1
   ATOM 2162 H A ARG A 106 ? -0.69166 56.67331 11.19935 0.634 18.42880 H ? A ? 105 H 1
   ATOM 2163 HA A ARG A 106 ? 1.46838 55.25712 11.46252 0.634 18.68430 H ? A ? 105 HA 1
   ATOM 2164 HB2 A ARG A 106 ? 0.97960 58.05190 11.29536 0.634 21.94553 H ? A ? 105 HB2 1
   ATOM 2165 HB3 A ARG A 106 ? 2.46930 57.50558 11.38350 0.634 21.94553 H ? A ? 105 HB3 1
   ATOM 2166 HG2 A ARG A 106 ? 1.88343 56.44081 9.30381 0.634 27.98068 H ? A ? 105 HG2 1
   ATOM 2167 HG3 A ARG A 106 ? 0.81441 57.61518 9.24508 0.634 27.98068 H ? A ? 105 HG3 1
   ATOM 2168 HD2 A ARG A 106 ? 3.67443 57.92788 9.27296 0.634 29.14249 H ? A ? 105 HD2 1
   ATOM 2169 HD3 A ARG A 106 ? 2.67922 58.53670 8.19393 0.634 29.14249 H ? A ? 105 HD3 1
   ATOM 2170 HE A ARG A 106 ? 2.18542 59.89545 10.29506 0.634 30.85074 H ? A ? 105 HE 1
   ATOM 2171 HH11 A ARG A 106 ? 5.13139 59.30025 8.95646 0.634 25.98799 H ? A ? 105 HH11 1
   ATOM 2172 HH12 A ARG A 106 ? 5.71382 60.64625 9.21697 0.634 25.98799 H ? A ? 105 HH12 1
   ATOM 2173 HH21 A ARG A 106 ? 3.02250 62.02404 10.49958 0.634 25.60080 H ? A ? 105 HH21 1
   ATOM 2174 HH22 A ARG A 106 ? 4.44507 62.28968 10.14669 0.634 25.60080 H ? A ? 105 HH22 1
   ATOM 2175 N B ARG A 106 ? -0.64273 55.92639 11.74619 0.366 15.26678 N ? A ? 105 N 1
   ATOM 2176 CA B ARG A 106 ? 0.81264 55.89186 11.86241 0.366 16.03456 C ? A ? 105 CA 1
   ATOM 2177 C B ARG A 106 ? 1.20471 56.07026 13.31567 0.366 15.40662 C ? A ? 105 C 1
   ATOM 2178 O B ARG A 106 ? 2.00006 55.29794 13.85844 0.366 14.67150 O ? A ? 105 O 1
   ATOM 2179 CB B ARG A 106 ? 1.47143 57.02068 11.05128 0.366 18.27875 C ? A ? 105 CB 1
   ATOM 2180 CG B ARG A 106 ? 1.51778 56.84688 9.58344 0.366 21.91051 C ? A ? 105 CG 1
   ATOM 2181 CD B ARG A 106 ? 2.38984 57.97589 8.87554 0.366 24.13175 C ? A ? 105 CD 1
   ATOM 2182 NE B ARG A 106 ? 3.29204 58.65665 9.81914 0.366 24.41752 N ? A ? 105 NE 1
   ATOM 2183 CZ B ARG A 106 ? 4.39227 59.29197 9.47693 0.366 26.90039 C ? A ? 105 CZ 1
   ATOM 2184 NH1 B ARG A 106 ? 4.73559 59.45137 8.22986 0.366 27.33946 N ? A ? 105 NH1 1
   ATOM 2185 NH2 B ARG A 106 ? 5.16361 59.84198 10.41037 0.366 31.52258 N ? A ? 105 NH2 1
   ATOM 2186 H B ARG A 106 ? -0.94416 56.60541 11.31299 0.366 18.29257 H ? A ? 105 H 1
   ATOM 2187 HA B ARG A 106 ? 1.12255 55.04267 11.51066 0.366 19.21390 H ? A ? 105 HA 1
   ATOM 2188 HB2 B ARG A 106 ? 0.98128 57.83970 11.22408 0.366 21.90693 H ? A ? 105 HB2 1
   ATOM 2189 HB3 B ARG A 106 ? 2.38820 57.11242 11.35462 0.366 21.90693 H ? A ? 105 HB3 1
   ATOM 2190 HG2 B ARG A 106 ? 1.91234 55.98532 9.37624 0.366 26.26505 H ? A ? 105 HG2 1
   ATOM 2191 HG3 B ARG A 106 ? 0.61651 56.89318 9.22782 0.366 26.26505 H ? A ? 105 HG3 1
   ATOM 2192 HD2 B ARG A 106 ? 2.93063 57.57078 8.17961 0.366 28.93054 H ? A ? 105 HD2 1
   ATOM 2193 HD3 B ARG A 106 ? 1.79775 58.64091 8.49074 0.366 28.93054 H ? A ? 105 HD3 1
   ATOM 2194 HE B ARG A 106 ? 3.08510 58.63768 10.65366 0.366 29.27345 H ? A ? 105 HE 1
   ATOM 2195 HH11 B ARG A 106 ? 4.23748 59.13711 7.60319 0.366 32.77978 H ? A ? 105 HH11 1
   ATOM 2196 HH12 B ARG A 106 ? 5.46026 59.87082 8.03361 0.366 32.77978 H ? A ? 105 HH12 1
   ATOM 2197 HH21 B ARG A 106 ? 4.94366 59.78280 11.23966 0.366 37.79953 H ? A ? 105 HH21 1
   ATOM 2198 HH22 B ARG A 106 ? 5.88234 60.25682 10.18468 0.366 37.79953 H ? A ? 105 HH22 1
   ATOM 2199 N . ALA A 107 ? 0.66707 57.10913 13.96672 1.000 15.51117 N ? A ? 106 N 1
   ATOM 2200 CA . ALA A 107 ? 0.99902 57.39284 15.34635 1.000 15.47950 C ? A ? 106 CA 1
   ATOM 2201 C . ALA A 107 ? 0.67413 56.17417 16.14579 1.000 14.49103 C ? A ? 106 C 1
   ATOM 2202 O . ALA A 107 ? 1.40728 55.82714 17.11229 1.000 15.30516 O ? A ? 106 O 1
   ATOM 2203 CB . ALA A 107 ? 0.18901 58.60292 15.85610 1.000 16.50915 C ? A ? 106 CB 1
   ATOM 2204 HA . ALA A 107 ? 1.93676 57.62407 15.43624 1.000 18.54784 H ? A ? 106 HA 1
   ATOM 2205 HB1 . ALA A 107 ? 0.38663 58.74211 16.79550 1.000 19.78341 H ? A ? 106 HB1 1
   ATOM 2206 HB2 . ALA A 107 ? 0.43975 59.38854 15.34539 1.000 19.78341 H ? A ? 106 HB2 1
   ATOM 2207 HB3 . ALA A 107 ? -0.75677 58.42118 15.74044 1.000 19.78341 H ? A ? 106 HB3 1
   ATOM 2208 H A ALA A 107 ? -0.02700 57.51688 13.66406 0.634 18.58583 H ? A ? 106 H 1
   ATOM 2209 H B ALA A 107 ? 0.10565 57.66196 13.62207 0.366 18.58583 H ? A ? 106 H 1
   ATOM 2210 N . ALA A 108 ? -0.51336 55.62509 15.99870 1.000 13.49540 N ? A ? 107 N 1
   ATOM 2211 CA . ALA A 108 ? -0.91527 54.48216 16.80656 1.000 15.82642 C ? A ? 107 CA 1
   ATOM 2212 C . ALA A 108 ? -0.03044 53.28188 16.53315 1.000 13.82777 C ? A ? 107 C 1
   ATOM 2213 O . ALA A 108 ? 0.22834 52.45750 17.45288 1.000 14.61332 O ? A ? 107 O 1
   ATOM 2214 CB . ALA A 108 ? -2.38487 54.16632 16.60933 1.000 15.60617 C ? A ? 107 CB 1
   ATOM 2215 H . ALA A 108 ? -1.11027 55.89066 15.43945 1.000 16.16692 H ? A ? 107 H 1
   ATOM 2216 HA . ALA A 108 ? -0.81700 54.70653 17.74512 1.000 18.96414 H ? A ? 107 HA 1
   ATOM 2217 HB1 . ALA A 108 ? -2.62453 53.41387 17.17260 1.000 18.69983 H ? A ? 107 HB1 1
   ATOM 2218 HB2 . ALA A 108 ? -2.91063 54.94373 16.85452 1.000 18.69983 H ? A ? 107 HB2 1
   ATOM 2219 HB3 . ALA A 108 ? -2.53784 53.94400 15.67763 1.000 18.69983 H ? A ? 107 HB3 1
   ATOM 2220 N . PHE A 109 ? 0.41940 53.08021 15.28401 1.000 13.76620 N ? A ? 108 N 1
   ATOM 2221 CA . PHE A 109 ? 1.33191 51.97244 14.96550 1.000 11.86819 C ? A ? 108 CA 1
   ATOM 2222 C . PHE A 109 ? 2.65091 52.14222 15.71762 1.000 13.85275 C ? A ? 108 C 1
   ATOM 2223 O . PHE A 109 ? 3.19818 51.16217 16.26870 1.000 11.98862 O ? A ? 108 O 1
   ATOM 2224 H . PHE A 109 ? 0.21231 53.56801 14.60668 1.000 16.49187 H ? A ? 108 H 1
   ATOM 2225 HA . PHE A 109 ? 1.00915 51.10175 15.24588 1.000 14.21426 H ? A ? 108 HA 1
   ATOM 2226 CB A PHE A 109 ? 1.44479 51.94455 13.45279 0.498 12.47934 C ? A ? 108 CB 1
   ATOM 2227 CG A PHE A 109 ? 2.20920 50.78879 12.89822 0.498 9.41264 C ? A ? 108 CG 1
   ATOM 2228 CD1 A PHE A 109 ? 3.55138 50.89106 12.76515 0.498 12.02136 C ? A ? 108 CD1 1
   ATOM 2229 CD2 A PHE A 109 ? 1.57230 49.67846 12.49491 0.498 11.08906 C ? A ? 108 CD2 1
   ATOM 2230 CE1 A PHE A 109 ? 4.31345 49.81670 12.21811 0.498 12.62112 C ? A ? 108 CE1 1
   ATOM 2231 CE2 A PHE A 109 ? 2.23011 48.62797 11.97834 0.498 10.18375 C ? A ? 108 CE2 1
   ATOM 2232 CZ A PHE A 109 ? 3.64286 48.64724 11.80288 0.498 11.24690 C ? A ? 108 CZ 1
   ATOM 2233 HB2 A PHE A 109 ? 0.55053 51.90791 13.07882 0.498 14.94764 H ? A ? 108 HB2 1
   ATOM 2234 HB3 A PHE A 109 ? 1.89249 52.75491 13.16334 0.498 14.94764 H ? A ? 108 HB3 1
   ATOM 2235 HD1 A PHE A 109 ? 3.98203 51.67050 13.03330 0.498 14.39806 H ? A ? 108 HD1 1
   ATOM 2236 HD2 A PHE A 109 ? 0.64682 49.63527 12.57569 0.498 13.27931 H ? A ? 108 HD2 1
   ATOM 2237 HE1 A PHE A 109 ? 5.23726 49.88605 12.13652 0.498 15.11778 H ? A ? 108 HE1 1
   ATOM 2238 HE2 A PHE A 109 ? 1.75178 47.87025 11.72941 0.498 12.19294 H ? A ? 108 HE2 1
   ATOM 2239 HZ A PHE A 109 ? 4.09981 47.92628 11.43369 0.498 13.46871 H ? A ? 108 HZ 1
   ATOM 2240 CB B PHE A 109 ? 1.57598 52.01491 13.44800 0.502 12.55500 C ? A ? 108 CB 1
   ATOM 2241 CG B PHE A 109 ? 2.59914 51.01948 12.91603 0.502 9.55470 C ? A ? 108 CG 1
   ATOM 2242 CD1 B PHE A 109 ? 3.94471 51.29447 12.78728 0.502 12.20512 C ? A ? 108 CD1 1
   ATOM 2243 CD2 B PHE A 109 ? 2.12552 49.81218 12.52612 0.502 10.35002 C ? A ? 108 CD2 1
   ATOM 2244 CE1 B PHE A 109 ? 4.79394 50.31560 12.32751 0.502 12.03167 C ? A ? 108 CE1 1
   ATOM 2245 CE2 B PHE A 109 ? 2.91357 48.86052 12.02529 0.502 10.24635 C ? A ? 108 CE2 1
   ATOM 2246 CZ B PHE A 109 ? 4.23561 49.06699 11.89183 0.502 12.48718 C ? A ? 108 CZ 1
   ATOM 2247 HB2 B PHE A 109 ? 0.73578 51.83161 12.99926 0.502 15.03843 H ? A ? 108 HB2 1
   ATOM 2248 HB3 B PHE A 109 ? 1.88984 52.90262 13.21485 0.502 15.03843 H ? A ? 108 HB3 1
   ATOM 2249 HD1 B PHE A 109 ? 4.27483 52.13500 13.00961 0.502 14.61857 H ? A ? 108 HD1 1
   ATOM 2250 HD2 B PHE A 109 ? 1.21549 49.64029 12.61099 0.502 12.39246 H ? A ? 108 HD2 1
   ATOM 2251 HE1 B PHE A 109 ? 5.71228 50.45970 12.29937 0.502 14.41044 H ? A ? 108 HE1 1
   ATOM 2252 HE2 B PHE A 109 ? 2.54569 48.04670 11.76594 0.502 12.26805 H ? A ? 108 HE2 1
   ATOM 2253 HZ B PHE A 109 ? 4.78054 48.41009 11.52246 0.502 14.95705 H ? A ? 108 HZ 1
   ATOM 2254 N . GLY A 110 ? 3.16512 53.33969 15.80244 1.000 13.45053 N ? A ? 109 N 1
   ATOM 2255 CA . GLY A 110 ? 4.37048 53.59008 16.54702 1.000 13.04941 C ? A ? 109 CA 1
   ATOM 2256 C . GLY A 110 ? 4.20574 53.25791 18.02755 1.000 13.29740 C ? A ? 109 C 1
   ATOM 2257 O . GLY A 110 ? 5.07835 52.60056 18.68212 1.000 14.44587 O ? A ? 109 O 1
   ATOM 2258 H . GLY A 110 ? 2.83201 54.04082 15.43222 1.000 16.11307 H ? A ? 109 H 1
   ATOM 2259 HA2 . GLY A 110 ? 5.09002 53.04747 16.18822 1.000 15.63173 H ? A ? 109 HA2 1
   ATOM 2260 HA3 . GLY A 110 ? 4.61079 54.52640 16.46670 1.000 15.63173 H ? A ? 109 HA3 1
   ATOM 2261 N . ASP A 111 ? 3.05519 53.59775 18.57181 1.000 12.82642 N ? A ? 110 N 1
   ATOM 2262 CA . ASP A 111 ? 2.84599 53.31032 19.98117 1.000 12.15159 C ? A ? 110 CA 1
   ATOM 2263 C . ASP A 111 ? 2.70548 51.81881 20.24401 1.000 12.95439 C ? A ? 110 C 1
   ATOM 2264 O . ASP A 111 ? 3.19286 51.29436 21.27695 1.000 12.82027 O ? A ? 110 O 1
   ATOM 2265 CB . ASP A 111 ? 1.52845 53.91799 20.46955 1.000 17.99599 C ? A ? 110 CB 1
   ATOM 2266 CG . ASP A 111 ? 1.48786 55.44978 20.57190 1.000 22.86690 C ? A ? 110 CG 1
   ATOM 2267 OD1 . ASP A 111 ? 2.51946 56.08608 20.43901 1.000 23.49471 O ? A ? 110 OD1 1
   ATOM 2268 OD2 . ASP A 111 ? 0.31388 55.96208 20.71808 1.000 19.22177 O ? A ? 110 OD2 1
   ATOM 2269 H . ASP A 111 ? 2.40110 53.98151 18.16622 1.000 15.36414 H ? A ? 110 H 1
   ATOM 2270 HA . ASP A 111 ? 3.60787 53.68595 20.44951 1.000 14.55433 H ? A ? 110 HA 1
   ATOM 2271 HB2 . ASP A 111 ? 0.82647 53.65417 19.85431 1.000 21.56761 H ? A ? 110 HB2 1
   ATOM 2272 HB3 . ASP A 111 ? 1.34272 53.56759 21.35478 1.000 21.56761 H ? A ? 110 HB3 1
   ATOM 2273 N A VAL A 112 ? 2.01730 51.09534 19.34398 0.582 11.58883 N ? A ? 111 N 1
   ATOM 2274 CA A VAL A 112 ? 1.92279 49.64641 19.50713 0.582 11.82460 C ? A ? 111 CA 1
   ATOM 2275 C A VAL A 112 ? 3.28701 49.00194 19.46923 0.582 11.55129 C ? A ? 111 C 1
   ATOM 2276 O A VAL A 112 ? 3.60418 48.15121 20.32209 0.582 9.54876 O ? A ? 111 O 1
   ATOM 2277 CB A VAL A 112 ? 0.96925 49.03914 18.46277 0.582 11.89057 C ? A ? 111 CB 1
   ATOM 2278 CG1 A VAL A 112 ? 1.09457 47.57300 18.49514 0.582 11.31344 C ? A ? 111 CG1 1
   ATOM 2279 CG2 A VAL A 112 ? -0.42354 49.45991 18.75237 0.582 12.20679 C ? A ? 111 CG2 1
   ATOM 2280 H A VAL A 112 ? 1.61190 51.41371 18.65558 0.582 13.87903 H ? A ? 111 H 1
   ATOM 2281 HA A VAL A 112 ? 1.54662 49.47231 20.38410 0.582 14.16195 H ? A ? 111 HA 1
   ATOM 2282 HB A VAL A 112 ? 1.19652 49.35073 17.57274 0.582 14.24112 H ? A ? 111 HB 1
   ATOM 2283 HG11 A VAL A 112 ? 0.35727 47.18203 18.00074 0.582 13.54855 H ? A ? 111 HG11 1
   ATOM 2284 HG12 A VAL A 112 ? 1.93751 47.31903 18.08788 0.582 13.54855 H ? A ? 111 HG12 1
   ATOM 2285 HG13 A VAL A 112 ? 1.06961 47.27420 19.41764 0.582 13.54855 H ? A ? 111 HG13 1
   ATOM 2286 HG21 A VAL A 112 ? -1.00240 49.14806 18.03923 0.582 14.62058 H ? A ? 111 HG21 1
   ATOM 2287 HG22 A VAL A 112 ? -0.70129 49.07250 19.59716 0.582 14.62058 H ? A ? 111 HG22 1
   ATOM 2288 HG23 A VAL A 112 ? -0.45639 50.42789 18.80567 0.582 14.62058 H ? A ? 111 HG23 1
   ATOM 2289 N C VAL A 112 ? 2.16149 51.07810 19.31021 0.418 11.59757 N ? A ? 111 N 1
   ATOM 2290 CA C VAL A 112 ? 2.23070 49.63779 19.47567 0.418 11.63263 C ? A ? 111 CA 1
   ATOM 2291 C C VAL A 112 ? 3.69114 49.16232 19.40081 0.418 11.41420 C ? A ? 111 C 1
   ATOM 2292 O C VAL A 112 ? 4.15346 48.39521 20.22415 0.418 9.60301 O ? A ? 111 O 1
   ATOM 2293 CB C VAL A 112 ? 1.34307 48.98022 18.40615 0.418 11.60831 C ? A ? 111 CB 1
   ATOM 2294 CG1 C VAL A 112 ? 1.61758 47.51541 18.31947 0.418 10.63764 C ? A ? 111 CG1 1
   ATOM 2295 CG2 C VAL A 112 ? -0.19463 49.14534 18.70072 0.418 12.16442 C ? A ? 111 CG2 1
   ATOM 2296 H C VAL A 112 ? 1.76421 51.36410 18.60312 0.418 13.88952 H ? A ? 111 H 1
   ATOM 2297 HA C VAL A 112 ? 1.89992 49.38459 20.35167 0.418 13.93158 H ? A ? 111 HA 1
   ATOM 2298 HB C VAL A 112 ? 1.55575 49.42827 17.57254 0.418 13.90240 H ? A ? 111 HB 1
   ATOM 2299 HG11 C VAL A 112 ? 0.88908 47.08512 17.84510 0.418 12.73760 H ? A ? 111 HG11 1
   ATOM 2300 HG12 C VAL A 112 ? 2.45041 47.37793 17.84156 0.418 12.73760 H ? A ? 111 HG12 1
   ATOM 2301 HG13 C VAL A 112 ? 1.68747 47.15357 19.21673 0.418 12.73760 H ? A ? 111 HG13 1
   ATOM 2302 HG21 C VAL A 112 ? -0.69976 48.72406 17.98780 0.418 14.56974 H ? A ? 111 HG21 1
   ATOM 2303 HG22 C VAL A 112 ? -0.40123 48.72077 19.54804 0.418 14.56974 H ? A ? 111 HG22 1
   ATOM 2304 HG23 C VAL A 112 ? -0.40825 50.09055 18.74358 0.418 14.56974 H ? A ? 111 HG23 1
   ATOM 2305 N A GLY A 113 ? 4.12990 49.43289 18.51091 0.582 11.17504 N ? A ? 112 N 1
   ATOM 2306 CA A GLY A 113 ? 5.45297 48.89298 18.37950 0.582 11.57542 C ? A ? 112 CA 1
   ATOM 2307 C A GLY A 113 ? 6.32512 49.17221 19.60591 0.582 12.82161 C ? A ? 112 C 1
   ATOM 2308 O A GLY A 113 ? 7.05696 48.28656 20.06362 0.582 12.47659 O ? A ? 112 O 1
   ATOM 2309 H A GLY A 113 ? 3.94106 50.03982 17.93163 0.582 13.38248 H ? A ? 112 H 1
   ATOM 2310 HA2 A GLY A 113 ? 5.39635 47.93232 18.25774 0.582 13.86294 H ? A ? 112 HA2 1
   ATOM 2311 HA3 A GLY A 113 ? 5.88330 49.28484 17.60350 0.582 13.86294 H ? A ? 112 HA3 1
   ATOM 2312 N C GLY A 113 ? 4.43339 49.60325 18.40405 0.418 11.03627 N ? A ? 112 N 1
   ATOM 2313 CA C GLY A 113 ? 5.75454 49.05943 18.26109 0.418 11.92280 C ? A ? 112 CA 1
   ATOM 2314 C C GLY A 113 ? 6.53733 49.28808 19.53322 0.418 13.06541 C ? A ? 112 C 1
   ATOM 2315 O C GLY A 113 ? 7.40126 48.47946 19.93117 0.418 12.93149 O ? A ? 112 O 1
   ATOM 2316 H C GLY A 113 ? 4.20087 50.19289 17.82279 0.418 13.21596 H ? A ? 112 H 1
   ATOM 2317 HA2 C GLY A 113 ? 5.70385 48.10667 18.08621 0.418 14.27979 H ? A ? 112 HA2 1
   ATOM 2318 HA3 C GLY A 113 ? 6.21317 49.49187 17.52383 0.418 14.27979 H ? A ? 112 HA3 1
   ATOM 2319 N . ALA A 114 ? 6.24672 50.39166 20.21222 1.000 12.44543 N ? A ? 113 N 1
   ATOM 2320 CA . ALA A 114 ? 6.96696 50.70055 21.46148 1.000 12.62329 C ? A ? 113 CA 1
   ATOM 2321 C . ALA A 114 ? 6.53188 49.77765 22.56631 1.000 11.37489 C ? A ? 113 C 1
   ATOM 2322 O . ALA A 114 ? 7.34646 49.37563 23.42365 1.000 13.88569 O ? A ? 113 O 1
   ATOM 2323 CB . ALA A 114 ? 6.76822 52.15029 21.83151 1.000 15.12342 C ? A ? 113 CB 1
   ATOM 2324 HA . ALA A 114 ? 7.92019 50.57601 21.33206 1.000 15.12038 H ? A ? 113 HA 1
   ATOM 2325 HB1 . ALA A 114 ? 7.25042 52.33564 22.65250 1.000 18.12053 H ? A ? 113 HB1 1
   ATOM 2326 HB2 . ALA A 114 ? 7.10832 52.70860 21.11490 1.000 18.12053 H ? A ? 113 HB2 1
   ATOM 2327 HB3 . ALA A 114 ? 5.82118 52.31661 21.95938 1.000 18.12053 H ? A ? 113 HB3 1
   ATOM 2328 H A ALA A 114 ? 5.78152 51.05057 19.91385 0.582 14.90695 H ? A ? 113 H 1
   ATOM 2329 H C ALA A 114 ? 5.65220 50.96922 19.98296 0.418 14.90695 H ? A ? 113 H 1
   ATOM 2330 N A SER A 115 ? 5.29690 49.39192 22.58397 0.404 10.89408 N ? A ? 114 N 1
   ATOM 2331 CA A SER A 115 ? 4.76018 48.49814 23.59573 0.404 10.53033 C ? A ? 114 CA 1
   ATOM 2332 C A SER A 115 ? 5.14936 47.06517 23.39530 0.404 10.91910 C ? A ? 114 C 1
   ATOM 2333 O A SER A 115 ? 5.30051 46.35492 24.42004 0.404 9.89034 O ? A ? 114 O 1
   ATOM 2334 CB A SER A 115 ? 3.27792 48.77280 23.66734 0.404 11.40979 C ? A ? 114 CB 1
   ATOM 2335 OG A SER A 115 ? 2.68385 48.06020 24.69199 0.404 12.38565 O ? A ? 114 OG 1
   ATOM 2336 H A SER A 115 ? 4.71054 49.63460 22.00355 0.404 13.04532 H ? A ? 114 H 1
   ATOM 2337 HA A SER A 115 ? 5.12437 48.67410 24.47738 0.404 12.60883 H ? A ? 114 HA 1
   ATOM 2338 HB2 A SER A 115 ? 3.14147 49.72033 23.82377 0.404 13.66418 H ? A ? 114 HB2 1
   ATOM 2339 HB3 A SER A 115 ? 2.86962 48.51317 22.82663 0.404 13.66418 H ? A ? 114 HB3 1
   ATOM 2340 HG A SER A 115 ? 2.96200 47.26759 24.68961 0.404 14.83521 H ? A ? 114 HG 1
   ATOM 2341 N B SER A 115 ? 5.26285 49.46748 22.65677 0.596 10.79493 N ? A ? 114 N 1
   ATOM 2342 CA B SER A 115 ? 4.82159 48.47897 23.62991 0.596 10.51020 C ? A ? 114 CA 1
   ATOM 2343 C B SER A 115 ? 5.40072 47.12031 23.34648 0.596 10.97254 C ? A ? 114 C 1
   ATOM 2344 O B SER A 115 ? 5.83763 46.42170 24.27470 0.596 11.17763 O ? A ? 114 O 1
   ATOM 2345 CB B SER A 115 ? 3.31700 48.41658 23.74470 0.596 11.96994 C ? A ? 114 CB 1
   ATOM 2346 OG B SER A 115 ? 2.58890 49.56463 24.11493 0.596 11.74039 O ? A ? 114 OG 1
   ATOM 2347 H B SER A 115 ? 4.63571 49.80609 22.17548 0.596 12.92634 H ? A ? 114 H 1
   ATOM 2348 HA B SER A 115 ? 5.14807 48.77190 24.49507 0.596 12.58467 H ? A ? 114 HA 1
   ATOM 2349 HB2 B SER A 115 ? 2.98309 48.14402 22.87572 0.596 14.33636 H ? A ? 114 HB2 1
   ATOM 2350 HB3 B SER A 115 ? 3.11675 47.73542 24.40562 0.596 14.33636 H ? A ? 114 HB3 1
   ATOM 2351 HG B SER A 115 ? 2.81359 50.21507 23.63321 0.596 14.06090 H ? A ? 114 HG 1
   ATOM 2352 N . CYS A 116 ? 5.36533 46.64138 22.12110 1.000 12.50323 N ? A ? 115 N 1
   ATOM 2353 CA . CYS A 116 ? 5.98703 45.36002 21.85989 1.000 12.91711 C ? A ? 115 CA 1
   ATOM 2354 C . CYS A 116 ? 7.39686 45.39182 22.45776 1.000 13.29341 C ? A ? 115 C 1
   ATOM 2355 O . CYS A 116 ? 7.84231 44.42498 23.13358 1.000 15.96621 O ? A ? 115 O 1
   ATOM 2356 CB . CYS A 116 ? 6.09740 45.07512 20.36868 1.000 12.86495 C ? A ? 115 CB 1
   ATOM 2357 SG . CYS A 116 ? 4.71298 45.22967 19.26912 1.000 12.84287 S ? A ? 115 SG 1
   ATOM 2358 HA . CYS A 116 ? 5.43990 44.65762 22.24483 1.000 15.47296 H ? A ? 115 HA 1
   ATOM 2359 HB2 . CYS A 116 ? 6.77348 45.67693 20.01991 1.000 15.41037 H ? A ? 115 HB2 1
   ATOM 2360 HB3 . CYS A 116 ? 6.39513 44.15597 20.28250 1.000 15.41037 H ? A ? 115 HB3 1
   ATOM 2361 H A CYS A 116 ? 5.15686 47.08535 21.41468 0.404 14.97630 H ? A ? 115 H 1
   ATOM 2362 H B CYS A 116 ? 4.99996 47.02455 21.44339 0.596 14.97630 H ? A ? 115 H 1
   ATOM 2363 N . LYS A 117 ? 8.16460 46.43554 22.10694 1.000 13.80936 N ? A ? 116 N 1
   ATOM 2364 CA . LYS A 117 ? 9.56056 46.52749 22.57378 1.000 17.05182 C ? A ? 116 CA 1
   ATOM 2365 C . LYS A 117 ? 9.70508 46.58453 24.06043 1.000 14.19281 C ? A ? 116 C 1
   ATOM 2366 O . LYS A 117 ? 10.63551 45.96158 24.64355 1.000 18.54443 O ? A ? 116 O 1
   ATOM 2367 CB . LYS A 117 ? 10.25690 47.70812 21.89498 1.000 20.96668 C ? A ? 116 CB 1
   ATOM 2368 CG . LYS A 117 ? 11.72721 47.87010 22.25652 1.000 26.11103 C ? A ? 116 CG 1
   ATOM 2369 CD . LYS A 117 ? 12.33392 49.06596 21.50497 1.000 28.67835 C ? A ? 116 CD 1
   ATOM 2370 CE . LYS A 117 ? 13.85041 49.07559 21.55467 1.000 40.48230 C ? A ? 116 CE 1
   ATOM 2371 NZ . LYS A 117 ? 14.30375 49.08345 22.93480 1.000 43.56439 N ? A ? 116 NZ 1
   ATOM 2372 H . LYS A 117 ? 7.90925 47.09000 21.61087 1.000 16.54366 H ? A ? 116 H 1
   ATOM 2373 HA . LYS A 117 ? 10.00865 45.70937 22.30768 1.000 20.43462 H ? A ? 116 HA 1
   ATOM 2374 HB2 . LYS A 117 ? 10.20358 47.58679 20.93408 1.000 25.13245 H ? A ? 116 HB2 1
   ATOM 2375 HB3 . LYS A 117 ? 9.80076 48.52466 22.15209 1.000 25.13245 H ? A ? 116 HB3 1
   ATOM 2376 HG2 . LYS A 117 ? 11.81273 48.02774 23.20980 1.000 31.30566 H ? A ? 116 HG2 1
   ATOM 2377 HG3 . LYS A 117 ? 12.21394 47.06878 22.00779 1.000 31.30566 H ? A ? 116 HG3 1
   ATOM 2378 HD2 . LYS A 117 ? 12.06408 49.02575 20.57413 1.000 34.38645 H ? A ? 116 HD2 1
   ATOM 2379 HD3 . LYS A 117 ? 12.01490 49.88875 21.90763 1.000 34.38645 H ? A ? 116 HD3 1
   ATOM 2380 HE2 . LYS A 117 ? 14.19654 48.28155 21.11809 1.000 48.55119 H ? A ? 116 HE2 1
   ATOM 2381 HE3 . LYS A 117 ? 14.18664 49.87066 21.11228 1.000 48.55119 H ? A ? 116 HE3 1
   ATOM 2382 HZ1 . LYS A 117 ? 15.02481 49.59888 23.01542 1.000 52.24970 H ? A ? 116 HZ1 1
   ATOM 2383 HZ2 . LYS A 117 ? 13.66200 49.39969 23.46419 1.000 52.24970 H ? A ? 116 HZ2 1
   ATOM 2384 HZ3 . LYS A 117 ? 14.50940 48.25673 23.19236 1.000 52.24970 H ? A ? 116 HZ3 1
   ATOM 2385 N . ALA A 118 ? 8.83013 47.27267 24.69941 1.000 14.31705 N ? A ? 117 N 1
   ATOM 2386 CA . ALA A 118 ? 8.96409 47.37765 26.13560 1.000 15.62791 C ? A ? 117 CA 1
   ATOM 2387 C . ALA A 118 ? 8.78847 46.01229 26.82686 1.000 14.61609 C ? A ? 117 C 1
   ATOM 2388 O . ALA A 118 ? 9.54922 45.66889 27.79128 1.000 16.57125 O ? A ? 117 O 1
   ATOM 2389 CB . ALA A 118 ? 7.89611 48.31521 26.66169 1.000 16.13373 C ? A ? 117 CB 1
   ATOM 2390 H . ALA A 118 ? 8.16026 47.68471 24.35141 1.000 17.15290 H ? A ? 117 H 1
   ATOM 2391 HA . ALA A 118 ? 9.84894 47.72061 26.33636 1.000 18.72593 H ? A ? 117 HA 1
   ATOM 2392 HB1 . ALA A 118 ? 8.08429 48.51835 27.59133 1.000 19.33290 H ? A ? 117 HB1 1
   ATOM 2393 HB2 . ALA A 118 ? 7.90520 49.13069 26.13652 1.000 19.33290 H ? A ? 117 HB2 1
   ATOM 2394 HB3 . ALA A 118 ? 7.03114 47.88274 26.58615 1.000 19.33290 H ? A ? 117 HB3 1
   ATOM 2395 N A CYS A 119 ? 7.80021 45.21019 26.36656 0.434 14.35871 N ? A ? 118 N 1
   ATOM 2396 CA A CYS A 119 ? 7.66924 43.85687 26.90956 0.434 15.37573 C ? A ? 118 CA 1
   ATOM 2397 C A CYS A 119 ? 8.85259 42.98764 26.48965 0.434 15.25263 C ? A ? 118 C 1
   ATOM 2398 O A CYS A 119 ? 9.41738 42.27416 27.33375 0.434 16.08275 O ? A ? 118 O 1
   ATOM 2399 CB A CYS A 119 ? 6.28043 43.22551 26.60762 0.434 10.55108 C ? A ? 118 CB 1
   ATOM 2400 SG A CYS A 119 ? 6.37597 41.70266 27.36131 0.434 12.46299 S ? A ? 118 SG 1
   ATOM 2401 H A CYS A 119 ? 7.22249 45.42438 25.76660 0.434 17.20288 H ? A ? 118 H 1
   ATOM 2402 HA A CYS A 119 ? 7.68721 43.90625 27.87813 0.434 18.42330 H ? A ? 118 HA 1
   ATOM 2403 HB2 A CYS A 119 ? 5.56321 43.75174 26.99438 0.434 12.63373 H ? A ? 118 HB2 1
   ATOM 2404 HB3 A CYS A 119 ? 6.14009 43.12416 25.65320 0.434 12.63373 H ? A ? 118 HB3 1
   ATOM 2405 N B CYS A 119 ? 7.73787 45.23127 26.42611 0.566 14.32002 N ? A ? 118 N 1
   ATOM 2406 CA B CYS A 119 ? 7.62188 43.83594 26.90734 0.566 15.40285 C ? A ? 118 CA 1
   ATOM 2407 C B CYS A 119 ? 8.84701 43.01156 26.49628 0.566 15.24789 C ? A ? 118 C 1
   ATOM 2408 O B CYS A 119 ? 9.45203 42.36508 27.37965 0.566 16.05350 O ? A ? 118 O 1
   ATOM 2409 CB B CYS A 119 ? 6.20249 43.17306 26.64508 0.566 10.43734 C ? A ? 118 CB 1
   ATOM 2410 SG B CYS A 119 ? 6.06087 41.74268 27.60530 0.566 10.88951 S ? A ? 118 SG 1
   ATOM 2411 H B CYS A 119 ? 7.10865 45.48371 25.89700 0.566 17.15646 H ? A ? 118 H 1
   ATOM 2412 HA B CYS A 119 ? 7.62774 43.84492 27.87728 0.566 18.45585 H ? A ? 118 HA 1
   ATOM 2413 HB2 B CYS A 119 ? 5.49848 43.79196 26.89457 0.566 12.49723 H ? A ? 118 HB2 1
   ATOM 2414 HB3 B CYS A 119 ? 6.11803 42.93452 25.70867 0.566 12.49723 H ? A ? 118 HB3 1
   ATOM 2415 N . HIS A 120 ? 9.28032 43.05196 25.26275 1.000 15.57214 N ? A ? 119 N 1
   ATOM 2416 CA . HIS A 120 ? 10.44335 42.31975 24.78271 1.000 17.26232 C ? A ? 119 CA 1
   ATOM 2417 C . HIS A 120 ? 11.63919 42.55027 25.70939 1.000 19.06984 C ? A ? 119 C 1
   ATOM 2418 O . HIS A 120 ? 12.30660 41.60869 26.17069 1.000 19.92759 O ? A ? 119 O 1
   ATOM 2419 CB . HIS A 120 ? 10.75488 42.81148 23.39884 1.000 20.57664 C ? A ? 119 CB 1
   ATOM 2420 CG . HIS A 120 ? 12.00467 42.26496 22.82089 1.000 22.14509 C ? A ? 119 CG 1
   ATOM 2421 ND1 . HIS A 120 ? 13.24968 42.78979 23.10733 1.000 37.58552 N ? A ? 119 ND1 1
   ATOM 2422 CD2 . HIS A 120 ? 12.20870 41.28852 21.91120 1.000 26.67646 C ? A ? 119 CD2 1
   ATOM 2423 CE1 . HIS A 120 ? 14.16938 42.14162 22.41333 1.000 31.38961 C ? A ? 119 CE1 1
   ATOM 2424 NE2 . HIS A 120 ? 13.56536 41.20651 21.70423 1.000 27.51544 N ? A ? 119 NE2 1
   ATOM 2425 HA . HIS A 120 ? 10.26127 41.36734 24.75669 1.000 20.68722 H ? A ? 119 HA 1
   ATOM 2426 HB2 . HIS A 120 ? 10.02571 42.56098 22.81023 1.000 24.66439 H ? A ? 119 HB2 1
   ATOM 2427 HB3 . HIS A 120 ? 10.84237 43.77714 23.42622 1.000 24.66439 H ? A ? 119 HB3 1
   ATOM 2428 HD2 . HIS A 120 ? 11.55479 40.76925 21.50174 1.000 31.98419 H ? A ? 119 HD2 1
   ATOM 2429 HE1 . HIS A 120 ? 15.08313 42.31447 22.42305 1.000 37.63996 H ? A ? 119 HE1 1
   ATOM 2430 HE2 . HIS A 120 ? 13.95804 40.63650 21.19384 1.000 32.99096 H ? A ? 119 HE2 1
   ATOM 2431 H A HIS A 120 ? 8.90895 43.52879 24.65094 0.434 18.65900 H ? A ? 119 H 1
   ATOM 2432 H B HIS A 120 ? 8.90664 43.51698 24.64331 0.566 18.65900 H ? A ? 119 H 1
   ATOM 2433 N . ASP A 121 ? 11.88645 43.79957 26.03086 1.000 21.00398 N ? A ? 120 N 1
   ATOM 2434 CA . ASP A 121 ? 13.08566 44.12940 26.75944 1.000 20.28103 C ? A ? 120 CA 1
   ATOM 2435 C . ASP A 121 ? 13.06000 43.60359 28.17390 1.000 20.98855 C ? A ? 120 C 1
   ATOM 2436 O . ASP A 121 ? 14.13305 43.31806 28.72142 1.000 24.84038 O ? A ? 120 O 1
   ATOM 2437 CB . ASP A 121 ? 13.30300 45.63135 26.68531 1.000 20.11918 C ? A ? 120 CB 1
   ATOM 2438 CG . ASP A 121 ? 13.74467 46.11213 25.27917 1.000 25.24820 C ? A ? 120 CG 1
   ATOM 2439 OD1 . ASP A 121 ? 14.13780 45.35895 24.35280 1.000 26.50043 O ? A ? 120 OD1 1
   ATOM 2440 OD2 . ASP A 121 ? 13.73216 47.35598 25.06868 1.000 31.29209 O ? A ? 120 OD2 1
   ATOM 2441 H . ASP A 121 ? 11.38128 44.46921 25.84115 1.000 25.17720 H ? A ? 120 H 1
   ATOM 2442 HA . ASP A 121 ? 13.85577 43.70669 26.34817 1.000 24.30966 H ? A ? 120 HA 1
   ATOM 2443 HB2 . ASP A 121 ? 12.47280 46.08108 26.90762 1.000 24.11545 H ? A ? 120 HB2 1
   ATOM 2444 HB3 . ASP A 121 ? 13.99513 45.88101 27.31739 1.000 24.11545 H ? A ? 120 HB3 1
   ATOM 2445 N . ALA A 122 ? 11.90919 43.52224 28.79487 1.000 20.49103 N ? A ? 121 N 1
   ATOM 2446 CA . ALA A 122 ? 11.83192 43.07308 30.15617 1.000 21.06918 C ? A ? 121 CA 1
   ATOM 2447 C . ALA A 122 ? 11.56582 41.57775 30.32408 1.000 21.71321 C ? A ? 121 C 1
   ATOM 2448 O . ALA A 122 ? 11.92639 41.02235 31.36023 1.000 20.87254 O ? A ? 121 O 1
   ATOM 2449 CB . ALA A 122 ? 10.66902 43.80032 30.83785 1.000 22.57422 C ? A ? 121 CB 1
   ATOM 2450 H . ALA A 122 ? 11.15037 43.72420 28.44415 1.000 24.56167 H ? A ? 121 H 1
   ATOM 2451 HA . ALA A 122 ? 12.68023 43.27316 30.58190 1.000 25.25544 H ? A ? 121 HA 1
   ATOM 2452 HB1 . ALA A 122 ? 10.58594 43.47841 31.74910 1.000 27.06150 H ? A ? 121 HB1 1
   ATOM 2453 HB2 . ALA A 122 ? 10.84968 44.75335 30.83889 1.000 27.06150 H ? A ? 121 HB2 1
   ATOM 2454 HB3 . ALA A 122 ? 9.85212 43.61904 30.34723 1.000 27.06150 H ? A ? 121 HB3 1
   ATOM 2455 N . TYR A 123 ? 10.92429 40.90354 29.36166 1.000 18.73535 N ? A ? 122 N 1
   ATOM 2456 CA . TYR A 123 ? 10.39372 39.56341 29.54738 1.000 18.97280 C ? A ? 122 CA 1
   ATOM 2457 C . TYR A 123 ? 10.80961 38.52515 28.52923 1.000 19.26034 C ? A ? 122 C 1
   ATOM 2458 O . TYR A 123 ? 10.47293 37.37275 28.75225 1.000 19.11925 O ? A ? 122 O 1
   ATOM 2459 CB . TYR A 123 ? 8.85830 39.63072 29.70231 1.000 17.83850 C ? A ? 122 CB 1
   ATOM 2460 CG . TYR A 123 ? 8.50881 40.41249 30.93880 1.000 17.71155 C ? A ? 122 CG 1
   ATOM 2461 CD1 . TYR A 123 ? 8.87998 39.91415 32.17056 1.000 16.20225 C ? A ? 122 CD1 1
   ATOM 2462 CD2 . TYR A 123 ? 7.77596 41.60845 30.93069 1.000 18.92053 C ? A ? 122 CD2 1
   ATOM 2463 CE1 . TYR A 123 ? 8.56867 40.58602 33.33330 1.000 20.54146 C ? A ? 122 CE1 1
   ATOM 2464 CE2 . TYR A 123 ? 7.44470 42.26317 32.10301 1.000 20.20292 C ? A ? 122 CE2 1
   ATOM 2465 CZ . TYR A 123 ? 7.84833 41.74843 33.26565 1.000 21.32101 C ? A ? 122 CZ 1
   ATOM 2466 OH . TYR A 123 ? 7.52606 42.38633 34.46125 1.000 24.03553 O ? A ? 122 OH 1
   ATOM 2467 H . TYR A 123 ? 10.78362 41.21616 28.57294 1.000 22.45485 H ? A ? 122 H 1
   ATOM 2468 HA . TYR A 123 ? 10.74699 39.20772 30.37780 1.000 22.73979 H ? A ? 122 HA 1
   ATOM 2469 HB2 . TYR A 123 ? 8.47031 40.07358 28.93144 1.000 21.37863 H ? A ? 122 HB2 1
   ATOM 2470 HB3 . TYR A 123 ? 8.49782 38.73410 29.78609 1.000 21.37863 H ? A ? 122 HB3 1
   ATOM 2471 HD1 . TYR A 123 ? 9.34788 39.11179 32.21722 1.000 19.41513 H ? A ? 122 HD1 1
   ATOM 2472 HD2 . TYR A 123 ? 7.50629 41.96988 30.11733 1.000 22.67707 H ? A ? 122 HD2 1
   ATOM 2473 HE1 . TYR A 123 ? 8.84543 40.25275 34.15624 1.000 24.62219 H ? A ? 122 HE1 1
   ATOM 2474 HE2 . TYR A 123 ? 6.94862 43.04951 32.08117 1.000 24.21594 H ? A ? 122 HE2 1
   ATOM 2475 HH . TYR A 123 ? 7.01081 43.03277 34.31218 1.000 28.81507 H ? A ? 122 HH 1
   ATOM 2476 N . ARG A 124 ? 11.54391 38.86221 27.51961 1.000 17.97267 N ? A ? 123 N 1
   ATOM 2477 CA . ARG A 124 ? 11.97549 37.92300 26.49605 1.000 18.97659 C ? A ? 123 CA 1
   ATOM 2478 C . ARG A 124 ? 13.46562 37.68967 26.74561 1.000 26.62042 C ? A ? 123 C 1
   ATOM 2479 O . ARG A 124 ? 14.23064 38.66216 26.90708 1.000 23.63315 O ? A ? 123 O 1
   ATOM 2480 CB . ARG A 124 ? 11.74677 38.40396 25.04542 1.000 19.19560 C ? A ? 123 CB 1
   ATOM 2481 CG . ARG A 124 ? 12.11229 37.31299 24.11484 1.000 21.52462 C ? A ? 123 CG 1
   ATOM 2482 CD . ARG A 124 ? 11.82448 37.56475 22.65381 1.000 24.78620 C ? A ? 123 CD 1
   ATOM 2483 NE . ARG A 124 ? 12.28271 36.41622 21.87993 1.000 23.98748 N ? A ? 123 NE 1
   ATOM 2484 CZ . ARG A 124 ? 12.22738 36.27872 20.55790 1.000 30.68102 C ? A ? 123 CZ 1
   ATOM 2485 NH1 . ARG A 124 ? 11.67097 37.19389 19.78207 1.000 25.56841 N ? A ? 123 NH1 1
   ATOM 2486 NH2 . ARG A 124 ? 12.71025 35.16803 20.00011 1.000 29.58669 N ? A ? 123 NH2 1
   ATOM 2487 H . ARG A 124 ? 11.82678 39.66303 27.38446 1.000 21.53963 H ? A ? 123 H 1
   ATOM 2488 HA . ARG A 124 ? 11.45942 37.10491 26.56882 1.000 22.74434 H ? A ? 123 HA 1
   ATOM 2489 HB2 . ARG A 124 ? 10.81252 38.63052 24.91599 1.000 23.00715 H ? A ? 123 HB2 1
   ATOM 2490 HB3 . ARG A 124 ? 12.30399 39.17642 24.86183 1.000 23.00715 H ? A ? 123 HB3 1
   ATOM 2491 HG2 . ARG A 124 ? 13.06552 37.15209 24.19453 1.000 25.80198 H ? A ? 123 HG2 1
   ATOM 2492 HG3 . ARG A 124 ? 11.61911 36.51769 24.37014 1.000 25.80198 H ? A ? 123 HG3 1
   ATOM 2493 HD2 . ARG A 124 ? 10.87056 37.67713 22.51856 1.000 29.71587 H ? A ? 123 HD2 1
   ATOM 2494 HD3 . ARG A 124 ? 12.29758 38.35693 22.35460 1.000 29.71587 H ? A ? 123 HD3 1
   ATOM 2495 HE . ARG A 124 ? 12.62282 35.76222 22.32289 1.000 28.75741 H ? A ? 123 HE 1
   ATOM 2496 HH11 . ARG A 124 ? 11.33125 37.90339 20.12963 1.000 30.65453 H ? A ? 123 HH11 1
   ATOM 2497 HH12 . ARG A 124 ? 11.64887 37.07949 18.92999 1.000 30.65453 H ? A ? 123 HH12 1
   ATOM 2498 HH21 . ARG A 124 ? 13.05173 34.55228 20.49392 1.000 35.47646 H ? A ? 123 HH21 1
   ATOM 2499 HH22 . ARG A 124 ? 12.68022 35.06741 19.14655 1.000 35.47646 H ? A ? 123 HH22 1
   ATOM 2500 N . LYS A 125 ? 13.88913 36.41338 26.80655 1.000 23.87078 N ? A ? 124 N 1
   ATOM 2501 CA . LYS A 125 ? 15.30593 36.14082 27.07030 1.000 29.19983 C ? A ? 124 CA 1
   ATOM 2502 C . LYS A 125 ? 16.13209 36.60896 25.87862 1.000 31.11705 C ? A ? 124 C 1
   ATOM 2503 O . LYS A 125 ? 15.68534 36.53669 24.73572 1.000 29.19105 O ? A ? 124 O 1
   ATOM 2504 CB . LYS A 125 ? 15.54688 34.63385 27.19255 1.000 27.65325 C ? A ? 124 CB 1
   ATOM 2505 CG . LYS A 125 ? 14.92171 34.03637 28.41700 1.000 23.84785 C ? A ? 124 CG 1
   ATOM 2506 CD . LYS A 125 ? 15.35638 32.55977 28.53167 1.000 25.46280 C ? A ? 124 CD 1
   ATOM 2507 CE . LYS A 125 ? 14.95974 32.02169 29.85784 1.000 26.62405 C ? A ? 124 CE 1
   ATOM 2508 NZ . LYS A 125 ? 15.66155 30.72550 30.06726 1.000 21.38546 N ? A ? 124 NZ 1
   ATOM 2509 H . LYS A 125 ? 13.39288 35.71877 26.70234 1.000 28.61736 H ? A ? 124 H 1
   ATOM 2510 HA . LYS A 125 ? 15.57008 36.58806 27.88951 1.000 35.01223 H ? A ? 124 HA 1
   ATOM 2511 HB2 . LYS A 125 ? 15.16830 34.19095 26.41703 1.000 33.15633 H ? A ? 124 HB2 1
   ATOM 2512 HB3 . LYS A 125 ? 16.50211 34.47053 27.23446 1.000 33.15633 H ? A ? 124 HB3 1
   ATOM 2513 HG2 . LYS A 125 ? 15.21809 34.51483 29.20702 1.000 28.58985 H ? A ? 124 HG2 1
   ATOM 2514 HG3 . LYS A 125 ? 13.95498 34.07631 28.34814 1.000 28.58985 H ? A ? 124 HG3 1
   ATOM 2515 HD2 . LYS A 125 ? 14.92324 32.03569 27.83984 1.000 30.52779 H ? A ? 124 HD2 1
   ATOM 2516 HD3 . LYS A 125 ? 16.32010 32.49376 28.44347 1.000 30.52779 H ? A ? 124 HD3 1
   ATOM 2517 HE2 . LYS A 125 ? 15.21813 32.64021 30.55896 1.000 31.92129 H ? A ? 124 HE2 1
   ATOM 2518 HE3 . LYS A 125 ? 14.00164 31.87244 29.88362 1.000 31.92129 H ? A ? 124 HE3 1
   ATOM 2519 HZ1 . LYS A 125 ? 15.75210 30.56559 30.93808 1.000 25.63498 H ? A ? 124 HZ1 1
   ATOM 2520 HZ2 . LYS A 125 ? 15.19440 30.06345 29.69907 1.000 25.63498 H ? A ? 124 HZ2 1
   ATOM 2521 HZ3 . LYS A 125 ? 16.46863 30.75240 29.69308 1.000 25.63498 H ? A ? 124 HZ3 1
   ATOM 2522 N . LYS A 126 ? 17.36894 37.05258 26.12777 1.000 44.83032 N ? A ? 125 N 1
   ATOM 2523 CA . LYS A 126 ? 18.26068 37.39470 25.01875 1.000 56.00615 C ? A ? 125 CA 1
   ATOM 2524 C . LYS A 126 ? 18.71170 36.14664 24.26282 1.000 54.41065 C ? A ? 125 C 1
   ATOM 2525 O . LYS A 126 ? 18.90541 35.07594 24.84600 1.000 54.64645 O ? A ? 125 O 1
   ATOM 2526 CB . LYS A 126 ? 19.49328 38.16148 25.51406 1.000 57.05244 C ? A ? 125 CB 1
   ATOM 2527 CG . LYS A 126 ? 19.32875 39.69030 25.52354 1.000 60.72490 C ? A ? 125 CG 1
   ATOM 2528 CD . LYS A 126 ? 19.04009 40.20080 26.93341 1.000 63.13857 C ? A ? 125 CD 1
   ATOM 2529 CE . LYS A 126 ? 18.98001 41.73202 27.01027 1.000 65.75205 C ? A ? 125 CE 1
   ATOM 2530 NZ . LYS A 126 ? 18.80617 42.18598 28.44294 1.000 60.51081 N ? A ? 125 NZ 1
   ATOM 2531 H . LYS A 126 ? 17.70628 37.16119 26.91136 1.000 53.76881 H ? A ? 125 H 1
   ATOM 2532 HA . LYS A 126 ? 17.77399 37.96643 24.40462 1.000 67.17981 H ? A ? 125 HA 1
   ATOM 2533 HB2 . LYS A 126 ? 19.68731 37.88161 26.42232 1.000 68.43536 H ? A ? 125 HB2 1
   ATOM 2534 HB3 . LYS A 126 ? 20.24218 37.95055 24.93478 1.000 68.43536 H ? A ? 125 HB3 1
   ATOM 2535 HG2 . LYS A 126 ? 20.14680 40.10539 25.20826 1.000 72.84231 H ? A ? 125 HG2 1
   ATOM 2536 HG3 . LYS A 126 ? 18.58773 39.93921 24.94923 1.000 72.84231 H ? A ? 125 HG3 1
   ATOM 2537 HD2 . LYS A 126 ? 18.18368 39.85246 27.22687 1.000 75.73872 H ? A ? 125 HD2 1
   ATOM 2538 HD3 . LYS A 126 ? 19.74308 39.89846 27.52949 1.000 75.73872 H ? A ? 125 HD3 1
   ATOM 2539 HE2 . LYS A 126 ? 19.80542 42.10703 26.66536 1.000 78.87490 H ? A ? 125 HE2 1
   ATOM 2540 HE3 . LYS A 126 ? 18.22679 42.05386 26.49066 1.000 78.87490 H ? A ? 125 HE3 1
   ATOM 2541 HZ1 . LYS A 126 ? 18.77278 43.07463 28.47874 1.000 72.58540 H ? A ? 125 HZ1 1
   ATOM 2542 HZ2 . LYS A 126 ? 18.05092 41.85484 28.77766 1.000 72.58540 H ? A ? 125 HZ2 1
   ATOM 2543 HZ3 . LYS A 126 ? 19.48988 41.90249 28.93717 1.000 72.58540 H ? A ? 125 HZ3 1
   ATOM 2544 N . LYS A 127 ? 18.88310 36.28419 22.95233 1.000 52.05156 N ? A ? 126 N 1
   ATOM 2545 CA . LYS A 127 ? 19.35978 35.16836 22.13863 1.000 61.54021 C ? A ? 126 CA 1
   ATOM 2546 C . LYS A 127 ? 20.87200 34.98126 22.28774 1.000 64.66874 C ? A ? 126 C 1
   ATOM 2547 O . LYS A 127 ? 21.34776 33.90169 22.65244 1.000 71.79457 O ? A ? 126 O 1
   ATOM 2548 CB . LYS A 127 ? 19.01007 35.38359 20.66798 1.000 62.20118 C ? A ? 126 CB 1
   ATOM 2549 CG . LYS A 127 ? 19.33774 34.17984 19.78030 1.000 72.57718 C ? A ? 126 CG 1
   ATOM 2550 CD . LYS A 127 ? 18.99320 34.44762 18.31662 1.000 71.59555 C ? A ? 126 CD 1
   ATOM 2551 CE . LYS A 127 ? 19.35872 33.26082 17.41699 1.000 71.36533 C ? A ? 126 CE 1
   ATOM 2552 NZ . LYS A 127 ? 19.13621 33.56561 15.95722 1.000 67.34140 N ? A ? 126 NZ 1
   ATOM 2553 H . LYS A 127 ? 18.73181 37.00768 22.51270 1.000 62.43431 H ? A ? 126 H 1
   ATOM 2554 HA . LYS A 127 ? 18.92152 34.35693 22.43930 1.000 73.82068 H ? A ? 126 HA 1
   ATOM 2555 HB2 . LYS A 127 ? 18.05844 35.55665 20.59480 1.000 74.61385 H ? A ? 126 HB2 1
   ATOM 2556 HB3 . LYS A 127 ? 19.51209 36.14388 20.33507 1.000 74.61385 H ? A ? 126 HB3 1
   ATOM 2557 HG2 . LYS A 127 ? 20.28658 33.98705 19.83898 1.000 87.06504 H ? A ? 126 HG2 1
   ATOM 2558 HG3 . LYS A 127 ? 18.82428 33.41266 20.07811 1.000 87.06504 H ? A ? 126 HG3 1
   ATOM 2559 HD2 . LYS A 127 ? 18.03967 34.60654 18.23641 1.000 85.88710 H ? A ? 126 HD2 1
   ATOM 2560 HD3 . LYS A 127 ? 19.48603 35.22439 18.00898 1.000 85.88710 H ? A ? 126 HD3 1
   ATOM 2561 HE2 . LYS A 127 ? 20.29585 33.04341 17.54115 1.000 85.61082 H ? A ? 126 HE2 1
   ATOM 2562 HE3 . LYS A 127 ? 18.80714 32.49905 17.65441 1.000 85.61082 H ? A ? 126 HE3 1
   ATOM 2563 HZ1 . LYS A 127 ? 19.35555 32.85944 15.46194 1.000 80.78211 H ? A ? 126 HZ1 1
   ATOM 2564 HZ2 . LYS A 127 ? 18.28035 33.76379 15.81465 1.000 80.78211 H ? A ? 126 HZ2 1
   ATOM 2565 HZ3 . LYS A 127 ? 19.63797 34.25821 15.71094 1.000 80.78211 H ? A ? 126 HZ3 1
   HETATM 2566 N . PCA A 1 ? -5.65745 24.30966 28.07003 1.000 12.63214 N ? A ? 127 N 1
   HETATM 2567 CA . PCA A 1 ? -5.79745 23.54851 26.82690 1.000 13.02420 C ? A ? 127 CA 1
   HETATM 2568 C . PCA A 1 ? -4.55879 22.86551 26.48223 1.000 12.60261 C ? A ? 127 C 1
   HETATM 2569 O . PCA A 1 ? -4.36974 22.37296 25.31418 1.000 14.26525 O ? A ? 127 O 1
   HETATM 2570 CB . PCA A 1 ? -6.18933 24.60707 25.77937 1.000 13.70902 C ? A ? 127 CB 1
   HETATM 2571 CG . PCA A 1 ? -5.58679 25.88366 26.31780 1.000 13.51747 C ? A ? 127 CG 1
   HETATM 2572 CD . PCA A 1 ? -5.46366 25.66377 27.81670 1.000 11.08358 C ? A ? 127 CD 1
   HETATM 2573 OE . PCA A 1 ? -5.24575 26.51681 28.59557 1.000 12.63635 O ? A ? 127 OE 1
   HETATM 2574 H2 . PCA A 1 ? -6.41477 24.72755 28.23779 1.000 15.13099 H ? A ? 127 H2 1
   HETATM 2575 HA . PCA A 1 ? -6.45974 22.84144 26.87502 1.000 15.60147 H ? A ? 127 HA 1
   HETATM 2576 HB2 . PCA A 1 ? -5.83277 24.37500 24.90764 1.000 16.42325 H ? A ? 127 HB2 1
   HETATM 2577 HB3 . PCA A 1 ? -7.15394 24.66606 25.69602 1.000 16.42325 H ? A ? 127 HB3 1
   HETATM 2578 HG2 . PCA A 1 ? -4.70817 26.07556 25.95433 1.000 16.19339 H ? A ? 127 HG2 1
   HETATM 2579 HG3 . PCA A 1 ? -6.13916 26.66492 26.15834 1.000 16.19339 H ? A ? 127 HG3 1
   HETATM 2580 N . NO A 129 ? 8.21168 40.29251 21.97256 1.000 13.81909 N ? B ? . N 1
   HETATM 2581 O . NO A 129 ? 9.17479 40.47444 22.88010 1.000 22.66644 O ? B ? . O 1
   HETATM 2582 NB . HEC A 128 ? 5.93748 40.50976 20.36982 1.000 11.42041 N ? C ? . NB 1
   HETATM 2583 ND . HEC A 128 ? 7.16091 38.02341 23.00901 1.000 12.39939 N ? C ? . ND 1
   HETATM 2584 C1A . HEC A 128 ? 7.98951 36.93842 20.35853 1.000 12.92943 C ? C ? . C1A 1
   HETATM 2585 C1B . HEC A 128 ? 6.20660 40.63105 19.02868 1.000 11.15079 C ? C ? . C1B 1
   HETATM 2586 C1C . HEC A 128 ? 4.77670 41.41670 22.97881 1.000 11.07762 C ? C ? . C1C 1
   HETATM 2587 C1D . HEC A 128 ? 7.02349 38.08732 24.39357 1.000 10.64530 C ? C ? . C1D 1
   HETATM 2588 C2A . HEC A 128 ? 8.33984 36.47382 19.07016 1.000 12.88486 C ? C ? . C2A 1
   HETATM 2589 C2B . HEC A 128 ? 5.64494 41.81805 18.41389 1.000 11.18850 C ? C ? . C2B 1
   HETATM 2590 C2C . HEC A 128 ? 4.32447 41.84497 24.25283 1.000 10.67837 C ? C ? . C2C 1
   HETATM 2591 C2D . HEC A 128 ? 7.63473 36.97776 25.10298 1.000 11.64420 C ? C ? . C2D 1
   HETATM 2592 C3A . HEC A 128 ? 7.95610 37.39700 18.19727 1.000 12.16422 C ? C ? . C3A 1
   HETATM 2593 C3B . HEC A 128 ? 4.89543 42.39590 19.33415 1.000 12.53269 C ? C ? . C3B 1
   HETATM 2594 C3C . HEC A 128 ? 4.83637 41.02274 25.20678 1.000 10.37043 C ? C ? . C3C 1
   HETATM 2595 C3D . HEC A 128 ? 8.14523 36.14881 24.09503 1.000 12.20135 C ? C ? . C3D 1
   HETATM 2596 C4A . HEC A 128 ? 7.36022 38.49528 18.91554 1.000 12.20885 C ? C ? . C4A 1
   HETATM 2597 C4B . HEC A 128 ? 5.09076 41.64201 20.54912 1.000 11.27928 C ? C ? . C4B 1
   HETATM 2598 C4C . HEC A 128 ? 5.63702 40.08936 24.50247 1.000 10.94727 C ? C ? . C4C 1
   HETATM 2599 C4D . HEC A 128 ? 7.88448 36.76617 22.79175 1.000 10.66611 C ? C ? . C4D 1
   HETATM 2600 CAA . HEC A 128 ? 8.96300 35.10491 18.77438 1.000 14.24276 C ? C ? . CAA 1
   HETATM 2601 CAB . HEC A 128 ? 3.95494 43.61876 19.26673 1.000 11.99032 C ? C ? . CAB 1
   HETATM 2602 CAC . HEC A 128 ? 4.79327 41.04384 26.70752 1.000 12.30472 C ? C ? . CAC 1
   HETATM 2603 CAD . HEC A 128 ? 8.88616 34.76490 24.15719 1.000 14.33484 C ? C ? . CAD 1
   HETATM 2604 CBA . HEC A 128 ? 7.89816 34.02763 18.76771 1.000 14.82262 C ? C ? . CBA 1
   HETATM 2605 CBB . HEC A 128 ? 2.95352 43.55197 18.01872 1.000 11.71008 C ? C ? . CBB 1
   HETATM 2606 CBC . HEC A 128 ? 3.44879 41.58801 27.32627 1.000 12.70830 C ? C ? . CBC 1
   HETATM 2607 CBD . HEC A 128 ? 7.85159 33.66003 24.20886 1.000 12.89829 C ? C ? . CBD 1
   HETATM 2608 CGA . HEC A 128 ? 8.52137 32.68000 18.35457 1.000 14.53701 C ? C ? . CGA 1
   HETATM 2609 CGD . HEC A 128 ? 8.40477 32.21689 24.30150 1.000 12.13407 C ? C ? . CGD 1
   HETATM 2610 CHA . HEC A 128 ? 8.24277 36.29905 21.56423 1.000 11.79758 C ? C ? . CHA 1
   HETATM 2611 CHB . HEC A 128 ? 6.91730 39.69801 18.37020 1.000 11.83765 C ? C ? . CHB 1
   HETATM 2612 CHC . HEC A 128 ? 4.46632 42.00880 21.74481 1.000 10.85076 C ? C ? . CHC 1
   HETATM 2613 CHD . HEC A 128 ? 6.38355 39.01125 25.06094 1.000 12.65552 C ? C ? . CHD 1
   HETATM 2614 CMA . HEC A 128 ? 8.11064 37.29903 16.65167 1.000 16.21216 C ? C ? . CMA 1
   HETATM 2615 CMB . HEC A 128 ? 5.77774 42.22020 16.92201 1.000 13.41219 C ? C ? . CMB 1
   HETATM 2616 CMC . HEC A 128 ? 3.41131 43.04349 24.45600 1.000 10.92258 C ? C ? . CMC 1
   HETATM 2617 CMD . HEC A 128 ? 7.77465 36.60616 26.54117 1.000 12.20060 C ? C ? . CMD 1
   HETATM 2618 NA . HEC A 128 ? 7.39449 38.17738 20.26617 1.000 12.05808 N ? C ? . NA 1
   HETATM 2619 NC . HEC A 128 ? 5.59803 40.30700 23.13187 1.000 11.49866 N ? C ? . NC 1
   HETATM 2620 O1A . HEC A 128 ? 9.34887 32.11089 19.08743 1.000 14.72181 O ? C ? . O1A 1
   HETATM 2621 O1D . HEC A 128 ? 7.95028 31.49445 25.19911 1.000 12.90751 O ? C ? . O1D 1
   HETATM 2622 O2A . HEC A 128 ? 8.25028 32.21955 17.23392 1.000 16.19357 O ? C ? . O2A 1
   HETATM 2623 O2D . HEC A 128 ? 9.34886 31.91489 23.52707 1.000 13.86950 O ? C ? . O2D 1
   HETATM 2624 FE . HEC A 128 ? 6.72025 39.39540 21.73425 1.000 11.06218 Fe ? C ? . FE 1
   HETATM 2625 O1 . SO4 A 130 ? 13.14270 34.41064 17.20990 0.592 31.59722 O ? D ? . O1 1
   HETATM 2626 O2 . SO4 A 130 ? 12.77367 35.47511 15.01029 0.592 39.89497 O ? D ? . O2 1
   HETATM 2627 O3 . SO4 A 130 ? 11.08339 34.09974 15.93944 0.592 24.39180 O ? D ? . O3 1
   HETATM 2628 O4 . SO4 A 130 ? 11.57301 36.31714 16.93469 0.592 29.06738 O ? D ? . O4 1
   HETATM 2629 S . SO4 A 130 ? 12.11701 35.05299 16.31025 0.592 27.09625 S ? D ? . S 1
   HETATM 2630 O . HOH A 2001 ? -4.80201 28.99565 27.75464 0.770 12.58696 O ? E ? . O 1
   HETATM 2631 O . HOH A 2002 ? -4.41419 19.16038 24.75114 0.771 20.66220 O ? E ? . O 1
   HETATM 2632 O . HOH A 2003 ? -6.33066 20.98175 23.77800 0.765 30.94145 O ? E ? . O 1
   HETATM 2636 O . HOH A 2007 ? -1.94454 21.95926 22.20774 0.752 19.23136 O ? E ? . O 1
   HETATM 2637 O . HOH A 2008 ? -0.89095 17.72449 23.13318 0.812 25.76964 O ? E ? . O 1
   HETATM 2638 O . HOH A 2009 ? 4.96482 17.80908 31.59751 0.890 25.19184 O ? E ? . O 1
   HETATM 2639 O . HOH A 2010 ? -1.83434 19.97887 24.24879 0.826 16.96258 O ? E ? . O 1
   HETATM 2641 O . HOH A 2013 ? 0.97412 22.59442 19.45756 0.511 18.71331 O ? E ? . O 1
   HETATM 2642 O . HOH A 2014 ? 7.47550 14.85012 28.27738 0.941 31.28383 O ? E ? . O 1
   HETATM 2643 O . HOH A 2015 ? 0.90016 14.89066 26.18308 0.800 33.04812 O ? E ? . O 1
   HETATM 2644 O . HOH A 2016 ? -15.28856 48.54187 2.89344 0.714 22.19858 O ? E ? . O 1
   HETATM 2645 O . HOH A 2017 ? 9.99686 21.75821 29.35148 0.738 16.66395 O ? E ? . O 1
   HETATM 2646 O . HOH A 2018 ? 7.22012 18.76193 30.46874 0.879 16.78406 O ? E ? . O 1
   HETATM 2648 O . HOH A 2020 ? 8.43589 36.44185 13.24561 0.835 19.65986 O ? E ? . O 1
   HETATM 2649 O . HOH A 2021 ? 6.82302 38.85114 10.41096 0.871 25.63942 O ? E ? . O 1
   HETATM 2650 O . HOH A 2022 ? -14.96912 50.78047 21.15889 0.868 37.29842 O ? E ? . O 1
   HETATM 2651 O . HOH A 2025 ? 4.55444 19.29483 22.57219 0.800 30.97610 O ? E ? . O 1
   HETATM 2652 O . HOH A 2026 ? 1.74103 17.07315 24.65293 0.821 25.99368 O ? E ? . O 1
   HETATM 2653 O . HOH A 2027 ? -0.03309 23.94472 21.33709 0.642 20.21851 O ? E ? . O 1
   HETATM 2654 O . HOH A 2028 ? 8.65267 40.95151 14.93717 0.599 27.68447 O ? E ? . O 1
   HETATM 2655 O . HOH A 2030 ? 2.88619 46.37374 2.03845 0.844 12.39406 O ? E ? . O 1
   HETATM 2656 O . HOH A 2031 ? 0.13154 46.40197 1.88530 0.838 10.13149 O ? E ? . O 1
   HETATM 2657 O . HOH A 2033 ? 7.89422 48.67270 14.13922 0.660 22.30208 O ? E ? . O 1
   HETATM 2658 O . HOH A 2034 ? 7.52601 23.74336 22.49375 0.587 22.39958 O ? E ? . O 1
   HETATM 2661 O . HOH A 2037 ? 4.80588 46.49796 -0.11501 0.358 9.64676 O ? E ? . O 1
   HETATM 2662 O . HOH A 2038 ? 10.21282 51.24730 -1.25498 0.641 24.65614 O ? E ? . O 1
   HETATM 2664 O . HOH A 2041 ? -7.17291 57.36221 -0.96326 0.625 22.49902 O ? E ? . O 1
   HETATM 2666 O . HOH A 2043 ? -10.56763 52.50490 -4.60419 0.682 23.62651 O ? E ? . O 1
   HETATM 2667 O . HOH A 2045 ? -12.86300 52.43831 3.24065 0.676 17.91407 O ? E ? . O 1
   HETATM 2668 O . HOH A 2046 ? -14.12300 48.65017 5.38489 0.928 17.83422 O ? E ? . O 1
   HETATM 2669 O . HOH A 2047 ? -15.34270 52.57885 6.90275 0.752 30.35755 O ? E ? . O 1
   HETATM 2670 O . HOH A 2048 ? -13.05306 44.60610 3.91865 0.934 26.90300 O ? E ? . O 1
   HETATM 2671 O . HOH A 2049 ? 7.52098 27.74392 17.62078 0.553 19.44695 O ? E ? . O 1
   HETATM 2672 O . HOH A 2050 ? 11.86715 27.79515 22.02768 1.000 22.48623 O ? E ? . O 1
   HETATM 2673 O . HOH A 2052 ? -9.51400 39.74937 6.99731 0.851 17.95533 O ? E ? . O 1
   HETATM 2675 O . HOH A 2055 ? -13.05506 42.12997 5.26357 0.819 33.99760 O ? E ? . O 1
   HETATM 2677 O . HOH A 2058 ? -14.88029 50.24538 18.16202 0.711 36.13246 O ? E ? . O 1
   HETATM 2678 O . HOH A 2059 ? -11.30572 48.05899 19.83400 0.840 21.27617 O ? E ? . O 1
   HETATM 2681 O . HOH A 2062 ? -9.67763 35.58011 22.84599 0.803 17.08971 O ? E ? . O 1
   HETATM 2683 O . HOH A 2064 ? 6.16250 36.79475 12.04324 0.931 17.02442 O ? E ? . O 1
   HETATM 2685 O . HOH A 2066 ? -5.34525 36.14899 28.99065 0.674 18.20302 O ? E ? . O 1
   HETATM 2686 O . HOH A 2067 ? -7.55981 32.42101 24.93933 0.758 15.95942 O ? E ? . O 1
   HETATM 2687 O . HOH A 2068 ? -6.22012 35.13152 33.50368 0.689 26.74972 O ? E ? . O 1
   HETATM 2688 O . HOH A 2069 ? 6.57918 42.71063 13.37419 0.676 20.05872 O ? E ? . O 1
   HETATM 2689 O . HOH A 2070 ? 4.73827 38.98387 7.51869 0.888 15.85881 O ? E ? . O 1
   HETATM 2690 O . HOH A 2071 ? 13.00668 38.64209 40.58996 0.818 21.50656 O ? E ? . O 1
   HETATM 2691 O . HOH A 2072 ? 7.88220 43.05453 8.88399 0.976 32.98295 O ? E ? . O 1
   HETATM 2692 O . HOH A 2073 ? 7.42070 44.94245 6.48454 0.677 21.94897 O ? E ? . O 1
   HETATM 2693 O . HOH A 2074 ? -3.57567 38.62803 3.48577 0.752 16.73339 O ? E ? . O 1
   HETATM 2694 O . HOH A 2075 ? -1.18769 36.44823 5.10962 0.893 12.52178 O ? E ? . O 1
   HETATM 2695 O . HOH A 2076 ? 6.02253 41.18755 8.95251 0.712 23.59029 O ? E ? . O 1
   HETATM 2697 O . HOH A 2078 ? -2.96657 41.71394 5.21224 0.758 15.62906 O ? E ? . O 1
   HETATM 2698 O . HOH A 2079 ? -0.18252 45.77944 4.64968 0.909 13.61498 O ? E ? . O 1
   HETATM 2699 O . HOH A 2080 ? 3.46368 44.07244 3.49893 0.802 10.57595 O ? E ? . O 1
   HETATM 2700 O . HOH A 2081 ? -1.71529 37.82642 36.31878 0.749 23.61940 O ? E ? . O 1
   HETATM 2702 O . HOH A 2083 ? -0.27394 46.56132 38.66198 0.603 25.45902 O ? E ? . O 1
   HETATM 2704 O . HOH A 2085 ? 7.98780 49.25551 11.41507 0.619 20.64135 O ? E ? . O 1
   HETATM 2705 O . HOH A 2086 ? 8.15381 45.39333 10.01428 0.889 25.80453 O ? E ? . O 1
   HETATM 2706 O . HOH A 2087 ? 4.69072 48.82759 28.39650 0.639 13.30275 O ? E ? . O 1
   HETATM 2708 O . HOH A 2091 ? -13.64108 53.73897 17.09698 0.864 22.06333 O ? E ? . O 1
   HETATM 2709 O . HOH A 2093 ? 3.90238 58.67479 0.95697 0.901 24.12987 O ? E ? . O 1
   HETATM 2710 O . HOH A 2094 ? 6.46127 48.65252 -0.55395 0.786 18.75162 O ? E ? . O 1
   HETATM 2711 O . HOH A 2095 ? 7.80764 52.06238 -2.61835 0.839 18.24466 O ? E ? . O 1
   HETATM 2712 O . HOH A 2096 ? 5.99422 49.70318 -4.43584 0.964 28.26767 O ? E ? . O 1
   HETATM 2713 O . HOH A 2098 ? 8.60766 48.40532 1.32381 0.692 24.60927 O ? E ? . O 1
   HETATM 2716 O . HOH A 2101 ? 0.55723 54.44591 2.55065 0.939 12.99878 O ? E ? . O 1
   HETATM 2717 O . HOH A 2103 ? -0.89015 48.39191 0.17282 0.865 10.24774 O ? E ? . O 1
   HETATM 2718 O . HOH A 2105 ? 6.64038 53.05036 13.69018 0.826 20.00973 O ? E ? . O 1
   HETATM 2719 O . HOH A 2106 ? 5.77678 56.91638 15.34675 0.717 25.94922 O ? E ? . O 1
   HETATM 2720 O . HOH A 2107 ? -5.46552 53.12246 -1.97107 0.725 14.26362 O ? E ? . O 1
   HETATM 2721 O . HOH A 2108 ? -7.74816 51.90858 7.83600 0.845 11.03231 O ? E ? . O 1
   HETATM 2722 O . HOH A 2109 ? -4.79519 56.34884 0.19171 0.703 15.36105 O ? E ? . O 1
   HETATM 2723 O . HOH A 2110 ? -2.43804 55.34949 -1.08569 0.817 16.05735 O ? E ? . O 1
   HETATM 2724 O . HOH A 2113 ? -9.18872 50.53467 -3.19857 0.788 25.26694 O ? E ? . O 1
   HETATM 2725 O . HOH A 2114 ? -8.15850 53.20768 -1.56222 0.543 23.20814 O ? E ? . O 1
   HETATM 2726 O . HOH A 2115 ? -9.83005 46.71945 0.46543 0.471 17.57643 O ? E ? . O 1
   HETATM 2727 O . HOH A 2116 ? -10.54523 48.62081 -2.21222 0.698 27.22224 O ? E ? . O 1
   HETATM 2728 O . HOH A 2117 ? 10.75835 48.66613 17.59438 0.829 33.25187 O ? E ? . O 1
   HETATM 2729 O . HOH A 2118 ? 10.42112 52.26464 21.75764 0.695 22.56465 O ? E ? . O 1
   HETATM 2730 O . HOH A 2119 ? 8.08329 52.19427 26.03497 0.856 27.48735 O ? E ? . O 1
   HETATM 2734 O . HOH A 2123 ? -12.86690 51.09772 5.66382 0.975 17.73134 O ? E ? . O 1
   HETATM 2735 O . HOH A 2124 ? -12.50092 46.37424 5.84948 0.803 13.95044 O ? E ? . O 1
   HETATM 2736 O . HOH A 2125 ? -10.94259 51.68654 1.46497 0.832 15.96085 O ? E ? . O 1
   HETATM 2737 O . HOH A 2126 ? 11.27758 49.58100 28.23536 0.744 25.37013 O ? E ? . O 1
   HETATM 2738 O . HOH A 2127 ? -3.16127 49.63791 2.62692 0.972 11.38522 O ? E ? . O 1
   HETATM 2739 O . HOH A 2128 ? -6.68672 43.12239 4.69618 0.924 15.53134 O ? E ? . O 1
   HETATM 2740 O . HOH A 2129 ? -4.58273 42.41469 3.04442 0.690 14.66966 O ? E ? . O 1
   HETATM 2741 O . HOH A 2130 ? -16.29456 48.33199 7.19608 0.925 27.78545 O ? E ? . O 1
   HETATM 2742 O . HOH A 2132 ? -10.66519 41.06644 9.17988 0.904 16.38346 O ? E ? . O 1
   HETATM 2744 O . HOH A 2134 ? -2.32259 44.60993 5.85948 0.888 15.90119 O ? E ? . O 1
   HETATM 2746 O . HOH A 2136 ? -13.18238 42.35567 8.21315 0.625 23.95726 O ? E ? . O 1
   HETATM 2747 O . HOH A 2137 ? -13.33311 47.11659 13.12215 0.670 27.11351 O ? E ? . O 1
   HETATM 2748 O . HOH A 2138 ? -12.40601 47.19733 15.62006 0.909 26.49101 O ? E ? . O 1
   HETATM 2749 O . HOH A 2139 ? -13.37415 45.05932 8.04172 0.810 19.67763 O ? E ? . O 1
   HETATM 2750 O . HOH A 2140 ? -8.82046 41.82191 21.35189 0.655 20.44397 O ? E ? . O 1
   HETATM 2751 O . HOH A 2141 ? -13.18720 47.00036 18.10423 0.620 22.85265 O ? E ? . O 1
   HETATM 2752 O . HOH A 2142 ? -9.04955 36.89850 20.56195 0.860 13.34156 O ? E ? . O 1
   HETATM 2753 O . HOH A 2143 ? -11.52777 40.37486 18.15076 0.806 29.95389 O ? E ? . O 1
   HETATM 2754 O . HOH A 2144 ? -10.89054 38.72916 13.63638 0.527 20.62343 O ? E ? . O 1
   HETATM 2756 O . HOH A 2146 ? -4.64995 35.41344 26.42255 0.721 14.95663 O ? E ? . O 1
   HETATM 2757 O . HOH A 2147 ? -5.10210 31.99376 23.89283 0.734 8.73132 O ? E ? . O 1
   HETATM 2758 O . HOH A 2148 ? -0.02133 36.25252 30.79571 0.584 16.37105 O ? E ? . O 1
   HETATM 2759 O . HOH A 2150 ? -3.61561 35.14798 31.17704 0.744 25.89948 O ? E ? . O 1
   HETATM 2760 O . HOH A 2151 ? 1.08550 34.77743 32.85266 0.981 19.99915 O ? E ? . O 1
   HETATM 2761 O . HOH A 2152 ? -0.80504 28.47305 29.77523 1.000 13.37985 O ? E ? . O 1
   HETATM 2762 O . HOH A 2153 ? -1.13557 26.62607 33.67548 0.735 23.79058 O ? E ? . O 1
   HETATM 2765 O . HOH A 2156 ? 7.83029 24.65621 32.73490 0.972 19.21827 O ? E ? . O 1
   HETATM 2767 O . HOH A 2158 ? 8.75018 24.01533 28.65631 0.821 15.09368 O ? E ? . O 1
   HETATM 2768 O . HOH A 2159 ? 4.29032 28.88500 37.36597 0.700 18.97152 O ? E ? . O 1
   HETATM 2770 O . HOH A 2161 ? 13.00002 31.06560 19.65867 0.794 29.09995 O ? E ? . O 1
   HETATM 2772 O . HOH A 2164 ? 13.94524 36.54674 39.36739 0.909 20.79389 O ? E ? . O 1
   HETATM 2774 O . HOH A 2166 ? 2.32248 36.14263 34.81011 0.645 15.82367 O ? E ? . O 1
   HETATM 2776 O . HOH A 2168 ? 11.63572 34.67312 38.75201 0.645 16.36213 O ? E ? . O 1
   HETATM 2777 O . HOH A 2170 ? 10.29052 38.34219 41.00936 0.562 19.32446 O ? E ? . O 1
   HETATM 2778 O . HOH A 2171 ? 0.58272 38.27958 34.55693 0.883 18.33647 O ? E ? . O 1
   HETATM 2779 O . HOH A 2172 ? -1.72989 39.96605 38.37562 0.867 26.88474 O ? E ? . O 1
   HETATM 2780 O . HOH A 2173 ? -1.40232 44.29038 36.69262 0.647 23.43295 O ? E ? . O 1
   HETATM 2781 O . HOH A 2175 ? -5.56460 37.74571 36.93453 1.000 32.61873 O ? E ? . O 1
   HETATM 2782 O . HOH A 2177 ? -0.58135 49.41442 38.03981 0.720 29.50765 O ? E ? . O 1
   HETATM 2783 O . HOH A 2178 ? -4.13522 47.46674 33.18041 0.734 26.96830 O ? E ? . O 1
   HETATM 2785 O . HOH A 2181 ? -1.95295 48.11970 31.92632 0.505 18.23736 O ? E ? . O 1
   HETATM 2786 O . HOH A 2182 ? 4.20453 46.44041 26.93715 0.623 11.41266 O ? E ? . O 1
   HETATM 2788 O . HOH A 2184 ? -5.71301 38.91775 29.38235 0.675 28.37269 O ? E ? . O 1
   HETATM 2789 O . HOH A 2185 ? -1.20036 38.18576 32.15461 0.786 18.88232 O ? E ? . O 1
   HETATM 2793 O . HOH A 2189 ? -6.09540 38.76336 26.39967 0.781 21.31749 O ? E ? . O 1
   HETATM 2795 O . HOH A 2191 ? -6.36072 46.09444 27.75223 0.554 20.89219 O ? E ? . O 1
   HETATM 2796 O . HOH A 2192 ? -4.65543 52.56503 29.00104 1.000 19.53976 O ? E ? . O 1
   HETATM 2798 O . HOH A 2195 ? -1.84910 52.49998 19.41729 0.667 12.84277 O ? E ? . O 1
   HETATM 2799 O . HOH A 2196 ? -10.99052 50.76142 19.06497 1.000 19.10330 O ? E ? . O 1
   HETATM 2800 O . HOH A 2197 ? -6.28318 55.94990 17.35878 0.606 19.00482 O ? E ? . O 1
   HETATM 2802 O . HOH A 2199 ? -9.85946 46.26716 14.89544 0.881 13.41835 O ? E ? . O 1
   HETATM 2803 O . HOH A 2200 ? -12.52830 55.23300 15.09761 0.979 22.75362 O ? E ? . O 1
   HETATM 2804 O . HOH A 2201 ? -8.11939 57.26381 15.89224 0.578 20.20885 O ? E ? . O 1
   HETATM 2805 O . HOH A 2202 ? -11.52421 52.66307 7.52402 0.894 16.53877 O ? E ? . O 1
   HETATM 2806 O . HOH A 2203 ? -14.97226 52.18622 9.59056 0.679 30.10679 O ? E ? . O 1
   HETATM 2807 O . HOH A 2204 ? -9.68294 47.73285 12.55452 0.829 13.34009 O ? E ? . O 1
   HETATM 2809 O . HOH A 2206 ? -12.65561 51.20207 16.99304 0.836 17.84276 O ? E ? . O 1
   HETATM 2810 O . HOH A 2207 ? -12.97503 54.92602 7.07016 0.793 27.97421 O ? E ? . O 1
   HETATM 2811 O . HOH A 2208 ? -9.88451 57.17045 4.55029 0.684 25.94629 O ? E ? . O 1
   HETATM 2812 O . HOH A 2209 ? 1.18025 61.57631 10.34903 1.000 33.01180 O ? E ? . O 1
   HETATM 2813 O . HOH A 2210 ? -2.08871 65.12806 6.61773 0.969 27.80595 O ? E ? . O 1
   HETATM 2815 O . HOH A 2213 ? 0.93817 60.91125 12.80644 0.999 23.43493 O ? E ? . O 1
   HETATM 2817 O . HOH A 2217 ? -7.54289 59.67116 17.01973 0.576 22.34735 O ? E ? . O 1
   HETATM 2818 O . HOH A 2218 ? 3.41296 59.91947 13.68716 0.989 22.20781 O ? E ? . O 1
   HETATM 2819 O . HOH A 2219 ? 4.93414 54.79308 13.07488 0.937 27.96404 O ? E ? . O 1
   HETATM 2820 O . HOH A 2220 ? 3.79919 57.12195 17.35734 0.915 21.30335 O ? E ? . O 1
   HETATM 2821 O . HOH A 2221 ? 6.53357 50.70336 15.39458 0.759 20.55420 O ? E ? . O 1
   HETATM 2822 O . HOH A 2223 ? 7.83054 52.22051 17.68763 0.693 21.50407 O ? E ? . O 1
   HETATM 2823 O . HOH A 2224 ? 5.51296 55.95659 19.29075 0.732 20.41273 O ? E ? . O 1
   HETATM 2824 O . HOH A 2225 ? 4.88239 55.45298 22.09460 0.780 19.62545 O ? E ? . O 1
   HETATM 2825 O . HOH A 2226 ? 3.33544 53.18000 23.31154 0.837 18.22963 O ? E ? . O 1
   HETATM 2826 O . HOH A 2227 ? 8.89030 46.89518 18.23609 0.634 20.81687 O ? E ? . O 1
   HETATM 2827 O . HOH A 2228 ? 5.44430 51.49886 25.49792 0.632 17.84091 O ? E ? . O 1
   HETATM 2828 O . HOH A 2229 ? 9.62100 51.20052 19.21701 0.636 24.93835 O ? E ? . O 1
   HETATM 2829 O . HOH A 2230 ? 9.60235 50.84523 23.94291 0.934 23.05443 O ? E ? . O 1
   HETATM 2830 O . HOH A 2231 ? 3.58354 50.46203 26.48127 0.640 13.66801 O ? E ? . O 1
   HETATM 2832 O . HOH A 2233 ? 10.18145 44.69794 19.81471 0.985 33.89654 O ? E ? . O 1
   HETATM 2833 O . HOH A 2234 ? 11.64663 49.53014 25.65920 0.786 28.40723 O ? E ? . O 1
   HETATM 2835 O . HOH A 2236 ? 9.48503 42.19301 36.24431 0.780 25.76849 O ? E ? . O 1
   HETATM 2836 O . HOH A 2237 ? 15.07422 41.13295 25.54147 0.690 29.61554 O ? E ? . O 1
   HETATM 2837 O . HOH A 2238 ? 15.74709 37.05353 20.52072 0.864 35.49840 O ? E ? . O 1
   HETATM 2839 O . HOH A 2240 ? 16.85028 29.26665 27.99276 0.934 33.15799 O ? E ? . O 1
   HETATM 2840 O . HOH A 2241 ? 15.02483 35.23320 22.61837 0.886 33.84653 O ? E ? . O 1
   HETATM 2844 O . HOH A 2245 ? 10.14829 33.21553 21.32067 0.799 12.63488 O ? E ? . O 1
   HETATM 2845 O . HOH A 2246 ? 8.71757 34.14041 14.85514 0.936 17.88870 O ? E ? . O 1
   HETATM 2846 O . HOH A 2248 ? 9.10007 42.36597 19.86709 0.775 28.11472 O ? E ? . O 1
   HETATM 5048 O . HOH S 2249 ? 11.13940 47.27518 29.17619 0.977 24.78993 O ? F ? . O 1
   HETATM 5049 O . HOH S 2250 ? -6.10628 42.96661 21.52376 0.708 19.39425 O ? F ? . O 1
   HETATM 5050 O . HOH S 2251 ? 4.85861 27.00815 17.47537 0.540 14.29433 O ? F ? . O 1
   HETATM 5051 O . HOH S 2252 ? -8.64702 53.90249 1.00074 0.799 20.49721 O ? F ? . O 1
   HETATM 5052 O . HOH S 2253 ? -3.92505 30.46984 31.45185 0.904 20.85329 O ? F ? . O 1
   HETATM 5053 O . HOH S 2254 ? -6.76723 44.78559 23.20301 0.820 21.51202 O ? F ? . O 1
   HETATM 5054 O . HOH S 2255 ? -4.23938 58.48947 1.86595 0.913 24.34405 O ? F ? . O 1
   HETATM 5055 O . HOH S 2256 ? 0.47182 57.24507 2.34901 0.648 20.40096 O ? F ? . O 1
   HETATM 5056 O . HOH S 2257 ? 1.97679 57.45348 0.14697 0.463 13.10840 O ? F ? . O 1
   HETATM 5057 O . HOH S 2258 ? -8.89988 44.44501 21.42802 0.618 16.45102 O ? F ? . O 1
   HETATM 5058 O . HOH S 2259 ? -3.75784 57.37872 16.72022 0.686 21.74630 O ? F ? . O 1
   HETATM 5059 O . HOH S 2260 ? -0.67578 63.31498 5.00531 0.976 33.33159 O ? F ? . O 1
   HETATM 5060 O . HOH S 2261 ? 1.21058 50.48846 34.37391 0.568 17.64495 O ? F ? . O 1
   HETATM 5062 O . HOH S 2263 ? -3.86544 48.81085 30.39008 0.775 26.71990 O ? F ? . O 1
   HETATM 5063 O . HOH S 2264 ? 4.56508 42.13196 39.63599 0.739 24.96796 O ? F ? . O 1
   HETATM 5064 O . HOH S 2265 ? -2.59877 42.28860 38.35546 0.849 30.95870 O ? F ? . O 1
   HETATM 5065 O . HOH S 2266 ? -7.23606 41.15830 6.62537 0.595 18.74374 O ? F ? . O 1
   HETATM 5066 O . HOH S 2267 ? -5.52135 34.90267 35.89467 0.726 26.63038 O ? F ? . O 1
   HETATM 5068 O . HOH S 2269 ? -11.80258 39.66696 11.31480 0.561 16.80718 O ? F ? . O 1
   HETATM 5069 O . HOH S 2270 ? 9.65017 23.42936 23.66799 0.531 18.30487 O ? F ? . O 1
   HETATM 5070 O . HOH S 2271 ? -9.19199 32.74176 23.08299 0.732 22.35863 O ? F ? . O 1
   HETATM 5074 O . HOH S 2275 ? 3.03496 31.19430 38.23217 0.694 23.86526 O ? F ? . O 1
   HETATM 5076 O . HOH S 2277 ? -4.46233 63.69222 7.55050 0.704 27.54745 O ? F ? . O 1
   HETATM 5077 O . HOH S 2278 ? 7.84717 44.71448 12.65148 0.566 23.18831 O ? F ? . O 1
   HETATM 5078 O . HOH S 2279 ? 13.28264 30.10241 28.64881 0.570 21.63161 O ? F ? . O 1
   HETATM 5081 O . HOH S 2282 ? 7.72067 54.43417 18.62140 0.907 31.52266 O ? F ? . O 1
   HETATM 5082 O . HOH S 2283 ? -14.55309 55.29208 13.28669 0.666 26.33196 O ? F ? . O 1
   HETATM 5084 O . HOH S 2285 ? 7.81882 52.20115 11.18977 0.812 30.02611 O ? F ? . O 1
   HETATM 5085 O . HOH S 2286 ? -8.51418 41.91135 24.86447 0.952 35.75830 O ? F ? . O 1
   HETATM 5087 O . HOH S 2288 ? -12.42566 47.61849 22.24475 0.986 35.42231 O ? F ? . O 1
   HETATM 5088 O . HOH S 2289 ? 2.83824 33.54412 38.67721 0.566 19.84747 O ? F ? . O 1
   HETATM 5097 O . HOH S 2298 ? 14.12364 28.54706 23.09166 0.739 29.00129 O ? F ? . O 1
   HETATM 5103 O . HOH S 2304 ? 9.84657 38.90529 13.83879 0.544 26.59656 O ? F ? . O 1
   HETATM 5107 O . HOH S 2308 ? -3.19848 26.98357 34.98288 0.458 17.56590 O ? F ? . O 1
   HETATM 5108 O . HOH S 2309 ? 12.01211 38.40932 16.06310 0.990 42.50876 O ? F ? . O 1
   HETATM 5111 O . HOH S 2312 ? 4.89886 58.07690 12.81305 0.414 21.22568 O ? F ? . O 1
   HETATM 5112 O . HOH S 2313 ? 7.22311 40.41805 42.42937 0.790 30.15706 O ? F ? . O 1
   HETATM 5113 O . HOH S 2314 ? 16.48929 36.64613 37.23382 0.608 31.20266 O ? F ? . O 1
   HETATM 5121 O . HOH S 2322 ? 11.69547 42.12710 34.07556 0.920 32.50112 O ? F ? . O 1
   HETATM 5164 O . HOH S 2325 ? 10.75910 20.80585 23.53003 0.995 26.12366 O ? G ? . O 1
   HETATM 5165 O . HOH S 2326 ? -5.27568 41.12260 6.64197 0.660 20.94113 O ? G ? . O 1
   HETATM 5174 O . HOH S 2335 ? 0.05729 48.86160 31.89653 0.364 18.03582 O ? G ? . O 1
   HETATM 5177 O . HOH S 2338 ? 7.86005 25.58341 20.46303 0.434 20.16349 O ? G ? . O 1
   HETATM 5178 O . HOH S 2339 ? 13.74565 46.63135 30.17049 0.701 31.16689 O ? G ? . O 1
   HETATM 5180 O . HOH S 2341 ? 10.47352 39.83112 19.83852 0.576 24.79894 O ? G ? . O 1
   HETATM 5184 O . HOH S 2345 ? -10.95902 57.35232 16.55104 0.661 26.99262 O ? G ? . O 1
   HETATM 5189 O . HOH S 2350 ? -8.72421 39.49690 25.98384 0.462 24.83674 O ? G ? . O 1
   HETATM 5197 O . HOH S 2358 ? 7.46592 41.42768 10.97756 0.444 31.43837 O ? G ? . O 1
   HETATM 5198 O . HOH S 2359 ? 16.79358 34.69613 31.53300 0.981 40.51913 O ? G ? . O 1
   HETATM 5199 O . HOH S 2360 ? 12.08255 31.75094 17.02777 0.949 38.69078 O ? G ? . O 1
   HETATM 5200 O . HOH S 2361 ? -1.58491 16.09590 30.02072 0.819 43.66771 O ? G ? . O 1
   HETATM 5201 O . HOH S 2362 ? -14.03405 48.44282 0.46076 0.692 27.28795 O ? G ? . O 1
   HETATM 5203 O . HOH S 2364 ? -0.54693 39.03813 40.70112 0.611 28.99248 O ? G ? . O 1
   HETATM 5204 O . HOH S 2365 ? 12.63080 45.07386 19.69021 0.650 33.23471 O ? G ? . O 1
   HETATM 5205 O . HOH S 2366 ? 6.53449 57.54466 0.96734 0.762 26.72659 O ? G ? . O 1
   HETATM 5206 O . HOH S 2367 ? -11.19131 45.20012 23.28051 0.712 26.92253 O ? G ? . O 1
   HETATM 5211 O . HOH S 2372 ? -2.99204 43.13440 40.92684 0.723 33.38101 O ? G ? . O 1
   HETATM 5214 O . HOH S 2375 ? -8.92828 45.28593 23.72068 0.396 19.22332 O ? G ? . O 1
   HETATM 5226 O . HOH S 2387 ? 11.22077 39.89103 17.64847 0.409 28.44896 O ? G ? . O 1
   HETATM 5228 O . HOH S 2389 ? 14.84662 45.76907 21.97817 0.932 50.12116 O ? G ? . O 1
   HETATM 5250 O . HOH S 2390 ? -8.90473 46.73530 19.48727 0.794 15.69171 O ? H ? . O 1
   HETATM 5251 O . HOH S 2391 ? 11.06071 19.32219 25.77652 0.550 16.56526 O ? H ? . O 1
   HETATM 5253 O . HOH S 2393 ? -4.48675 39.32506 6.23579 0.358 18.24660 O ? H ? . O 1
   HETATM 5256 O . HOH S 2396 ? -8.04277 41.88444 27.95737 0.590 25.13664 O ? H ? . O 1
   HETATM 5257 O . HOH S 2397 ? -0.50544 57.99843 19.05264 0.622 26.34131 O ? H ? . O 1
   HETATM 5261 O . HOH S 2401 ? -11.03448 38.18233 20.06508 0.385 20.05401 O ? H ? . O 1
   HETATM 5266 O . HOH S 2406 ? 2.19857 24.31616 34.47849 0.371 20.81499 O ? H ? . O 1
   HETATM 5267 O . HOH S 2407 ? -7.85106 44.62264 25.60888 0.540 23.81028 O ? H ? . O 1
   HETATM 5268 O . HOH S 2408 ? 15.22687 39.61149 34.01470 0.515 27.30329 O ? H ? . O 1
   HETATM 5269 O . HOH S 2409 ? -14.80014 55.92892 8.97609 0.691 33.40642 O ? H ? . O 1
   HETATM 5270 O . HOH S 2410 ? -2.01623 25.36846 35.87038 0.324 23.89510 O ? H ? . O 1
   HETATM 5274 O . HOH S 2414 ? -2.05172 35.02490 17.83688 0.255 12.52913 O ? H ? . O 1
   HETATM 5275 O . HOH S 2415 ? -7.22913 51.36041 -2.76258 0.309 21.97093 O ? H ? . O 1
   HETATM 5286 O . HOH S 2426 ? -3.30403 36.95643 32.92328 0.410 20.44325 O ? H ? . O 1
   HETATM 5288 O . HOH S 2428 ? 9.44424 41.44573 17.16659 0.333 20.77539 O ? H ? . O 1
   HETATM 5290 O . HOH S 2430 ? -17.88051 51.44451 5.95394 0.553 28.70630 O ? H ? . O 1
   HETATM 5292 O . HOH S 2432 ? 9.04416 49.19464 5.22952 0.748 34.25949 O ? H ? . O 1
   HETATM 5293 O . HOH S 2433 ? -12.11669 46.61901 0.00000 0.268 25.03849 O ? H ? . O 1
   HETATM 5300 O . HOH S 2440 ? 8.23977 55.90801 1.73767 0.312 18.00315 O ? H ? . O 1
   HETATM 5302 O . HOH S 2442 ? -7.56159 38.94202 37.91168 0.438 30.46678 O ? H ? . O 1
   HETATM 5303 O . HOH S 2443 ? -7.24881 39.46819 31.16771 0.474 31.57993 O ? H ? . O 1
   HETATM 5312 O . HOH S 2452 ? -15.25341 50.35931 6.61972 0.241 20.61110 O ? H ? . O 1
   HETATM 5316 O . HOH S 2456 ? 15.93339 31.43639 25.11971 0.478 29.08665 O ? H ? . O 1
   HETATM 5317 O . HOH S 2457 ? -16.09939 45.63448 8.25258 0.607 36.03338 O ? H ? . O 1
   HETATM 5348 O . HOH S 2464 ? 18.22469 36.16114 29.72490 0.800 34.15868 O ? I ? . O 1
   HETATM 5358 O . HOH S 2474 ? -2.44279 61.33038 4.73994 0.733 32.96481 O ? I ? . O 1
   HETATM 5362 O . HOH S 2478 ? 8.02928 59.60310 1.81234 0.470 26.96592 O ? I ? . O 1
   HETATM 5371 O . HOH S 2487 ? -5.54717 37.79342 33.35041 0.447 27.21644 O ? I ? . O 1
   HETATM 5376 O . HOH S 2492 ? 2.22273 46.13313 38.75276 0.336 23.06391 O ? I ? . O 1
   HETATM 5378 O . HOH S 2494 ? -8.54801 35.48000 32.43543 0.348 21.14154 O ? I ? . O 1
   HETATM 5381 O . HOH S 2497 ? 10.15170 58.16723 2.32314 0.561 27.84822 O ? I ? . O 1
   HETATM 5383 O . HOH S 2499 ? -12.50812 55.56762 4.87726 0.414 26.07706 O ? I ? . O 1
   HETATM 5385 O . HOH S 2501 ? -8.67484 36.66656 25.08760 0.418 21.05903 O ? I ? . O 1
   HETATM 5389 O . HOH S 2505 ? -5.01421 16.20379 24.29902 0.471 28.02371 O ? I ? . O 1
   HETATM 5390 O . HOH S 2506 ? 7.55515 45.54199 17.13301 0.222 16.43344 O ? I ? . O 1
   HETATM 5393 O . HOH S 2509 ? 10.99286 42.62420 18.41394 0.323 26.52225 O ? I ? . O 1
   HETATM 5395 O . HOH S 2511 ? 6.50479 53.92201 10.53672 0.408 26.66353 O ? I ? . O 1
   HETATM 5413 O . HOH S 2516 ? -0.15055 62.24561 15.05858 0.510 25.57488 O ? J ? . O 1
   HETATM 5416 O . HOH S 2519 ? 8.78869 38.34641 38.05633 0.332 25.56753 O ? J ? . O 1
   HETATM 5431 O . HOH S 2534 ? -10.35333 39.98427 20.81192 0.569 40.30168 O ? J ? . O 1
   HETATM 5432 O . HOH S 2535 ? 1.80011 30.22451 37.57149 0.290 21.28639 O ? J ? . O 1
   HETATM 5443 O . HOH S 2546 ? -0.01135 63.75846 13.61012 0.404 25.22625 O ? J ? . O 1

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

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   PCA N CA single 1.458 0.019 1.458
   PCA N CD single 1.345 0.020 1.345
   PCA N H single 0.860 0.020 0.860
   PCA CA CB single 1.530 0.020 1.530
   PCA CA C single 1.525 0.021 1.525
   PCA CA HA single 0.970 0.020 0.970
   PCA CB CG single 1.525 0.020 1.525
   PCA CB HB2 single 0.970 0.020 1.090
   PCA CB HB3 single 0.970 0.020 1.090
   PCA CG CD single 1.517 0.020 1.517
   PCA CG HG2 single 0.970 0.020 1.090
   PCA CG HG3 single 0.970 0.020 1.090
   PCA CD OE double 1.221 0.020 1.221
   PCA C O deloc 1.231 0.020 1.231
   PCA C OXT deloc 1.247 0.020 1.247

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   PCA H N CD 120.30 3.000
   PCA H N CA 114.00 3.000
   PCA CD N CA 114.17 3.000
   PCA HA CA C 109.00 3.000
   PCA HA CA CB 109.00 3.000
   PCA C CA CB 110.10 1.900
   PCA HA CA N 110.00 3.000
   PCA C CA N 111.00 2.800
   PCA CB CA N 110.50 1.700
   PCA HB3 CB HB2 107.63 3.000
   PCA HB3 CB CG 109.95 3.000
   PCA HB2 CB CG 113.77 3.000
   PCA HB3 CB CA 109.90 3.000
   PCA HB2 CB CA 112.29 3.000
   PCA CG CB CA 103.25 3.000
   PCA HG3 CG HG2 107.15 3.000
   PCA HG3 CG CD 111.26 3.000
   PCA HG2 CG CD 108.14 3.000
   PCA HG3 CG CB 114.17 3.000
   PCA HG2 CG CB 112.05 3.000
   PCA CD CG CB 103.97 3.000
   PCA OE CD CG 126.48 3.000
   PCA OE CD N 126.29 3.000
   PCA CG CD N 107.23 3.000
   PCA OXT C O 127.86 3.000
   PCA OXT C CA 114.54 3.000
   PCA O C CA 120.80 1.700

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   PCA CONST_01 CG CD N CA 0.00 0.0 0
   PCA CONST_02 OE CD N CA 180.00 0.0 0
   PCA CONST_03 H N CD CG 180.00 0.0 0
   PCA Var_01 CB CG CD N 11.43 30.0 1
   PCA Var_02 CD CG CB CA -26.44 30.0 1
   PCA Var_03 HB2 CB CA N 154.14 30.0 1
   PCA Var_04 HB3 CB CA N -86.09 30.0 1
   PCA Var_05 HA CA CB CG 148.19 30.0 1

loop_
  _chem_comp_chir.comp_id
  _chem_comp_chir.id
  _chem_comp_chir.atom_id_centre
  _chem_comp_chir.atom_id_1
  _chem_comp_chir.atom_id_2
  _chem_comp_chir.atom_id_3
  _chem_comp_chir.volume_sign
   PCA chir_01 CA N CB C negativ

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   PCA plan-1 N 0.020
   PCA plan-1 CA 0.020
   PCA plan-1 CG 0.020
   PCA plan-1 CD 0.020
   PCA plan-1 OE 0.020
   PCA plan-1 H 0.020
   PCA plan-2 CA 0.020
   PCA plan-2 C 0.020
   PCA plan-2 O 0.020
   PCA plan-2 OXT 0.020

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

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

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

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

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

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

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

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

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
   HEC CHA C1A coval 1.378 0.020
   HEC CHA HHA coval 0.980 0.020
   HEC C1A C2A coval 1.449 0.020
   HEC C1A NA coval 1.384 0.020
   HEC C2A CAA coval 1.544 0.020
   HEC C2A C3A coval 1.334 0.020
   HEC CAA CBA coval 1.525 0.020
   HEC CAA HAA1 coval 0.970 0.020
   HEC CAA HAA2 coval 0.970 0.020
   HEC CBA CGA coval 1.506 0.020
   HEC CBA HBA1 coval 0.970 0.020
   HEC CBA HBA2 coval 0.970 0.020
   HEC CGA O1A coval 1.258 0.020
   HEC CGA O2A coval 1.258 0.020
   HEC C3A CMA coval 1.544 0.020
   HEC C3A C4A coval 1.449 0.020
   HEC CMA HMA1 coval 0.980 0.020
   HEC CMA HMA2 coval 0.980 0.020
   HEC CMA HMA3 coval 0.980 0.020
   HEC C4A NA coval 1.384 0.020
   HEC C4A CHB coval 1.378 0.020
   HEC CHB C1B coval 1.378 0.020
   HEC CHB HHB coval 0.980 0.020
   HEC C1B C2B coval 1.449 0.020
   HEC C1B NB coval 1.384 0.020
   HEC C2B CMB coval 1.544 0.020
   HEC C2B C3B coval 1.334 0.020
   HEC CMB HMB1 coval 0.970 0.020
   HEC CMB HMB2 coval 0.970 0.020
   HEC CMB HMB3 coval 0.970 0.020
   HEC C3B CAB coval 1.544 0.020
   HEC C3B C4B coval 1.449 0.020
   HEC CAB CBB coval 1.544 0.020
   HEC CAB HAB coval 0.960 0.020
   HEC CBB HBB1 coval 0.970 0.020
   HEC CBB HBB2 coval 0.970 0.020
   HEC CBB HBB3 coval 0.970 0.020
   HEC C4B NB coval 1.384 0.020
   HEC C4B CHC coval 1.378 0.020
   HEC CHC C1C coval 1.378 0.020
   HEC CHC HHC coval 0.980 0.020
   HEC C1C C2C coval 1.449 0.020
   HEC C1C NC coval 1.384 0.020
   HEC C2C CMC coval 1.544 0.020
   HEC C2C C3C coval 1.334 0.020
   HEC CMC HMC1 coval 0.970 0.020
   HEC CMC HMC2 coval 0.970 0.020
   HEC CMC HMC3 coval 0.970 0.020
   HEC C3C CAC coval 1.544 0.020
   HEC C3C C4C coval 1.449 0.020
   HEC CAC CBC coval 1.544 0.020
   HEC CAC HAC coval 0.960 0.020
   HEC CBC HBC1 coval 0.970 0.020
   HEC CBC HBC2 coval 0.970 0.020
   HEC CBC HBC3 coval 0.970 0.020
   HEC C4C NC coval 1.384 0.020
   HEC C4C CHD coval 1.378 0.020
   HEC CHD HHD coval 0.980 0.020
   HEC C3D C2D coval 1.544 0.020
   HEC C2D CMD coval 1.544 0.020
   HEC C2D C1D coval 1.449 0.020
   HEC CMD HMD1 coval 0.980 0.020
   HEC CMD HMD2 coval 0.980 0.020
   HEC CMD HMD3 coval 0.980 0.020
   HEC C1D ND coval 1.384 0.020
   HEC C1D CHD coval 1.378 0.020
   HEC CHA C4D coval 1.378 0.020
   HEC C4D C3D coval 1.449 0.020
   HEC C4D ND coval 1.384 0.020
   HEC C3D CAD coval 1.544 0.020
   HEC CAD CBD coval 1.525 0.020
   HEC CAD HAD1 coval 0.970 0.020
   HEC CAD HAD2 coval 0.970 0.020
   HEC CBD CGD coval 1.506 0.020
   HEC CBD HBD1 coval 0.970 0.020
   HEC CBD HBD2 coval 0.970 0.020
   HEC CGD O1D coval 1.258 0.020
   HEC CGD O2D coval 1.258 0.020
   HEC FE NA metal 2.080 0.070
   HEC FE NB metal 2.080 0.070
   HEC FE NC metal 2.080 0.070
   HEC FE ND metal 2.080 0.070

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   HEC C4D CHA C1A 126.000 3.000
   HEC HHA CHA C1A 117.000 3.000
   HEC HHA CHA C4D 117.000 3.000
   HEC CHA C1A C2A 126.000 3.000
   HEC CHA C1A NA 126.000 3.000
   HEC C2A C1A NA 108.000 3.000
   HEC CHA C4D C3D 126.000 3.000
   HEC CHA C4D ND 126.000 3.000
   HEC C3D C4D ND 108.000 3.000
   HEC C1A C2A CAA 126.000 3.000
   HEC CAA C2A C3A 126.000 3.000
   HEC C1A C2A C3A 108.000 3.000
   HEC C4D C3D CAD 126.000 3.000
   HEC CAD C3D C2D 126.000 3.000
   HEC C4D C3D C2D 108.000 3.000
   HEC C2A CAA CBA 109.500 3.000
   HEC C2A CAA HAA1 109.500 3.000
   HEC C2A CAA HAA2 109.500 3.000
   HEC CBA CAA HAA1 109.500 3.000
   HEC CBA CAA HAA2 109.500 3.000
   HEC HAA1 CAA HAA2 109.500 3.000
   HEC C3D CAD CBD 109.500 3.000
   HEC C3D CAD HAD1 109.500 3.000
   HEC C3D CAD HAD2 109.500 3.000
   HEC CBD CAD HAD1 109.500 3.000
   HEC CBD CAD HAD2 109.500 3.000
   HEC HAD1 CAD HAD2 109.500 3.000
   HEC CAA CBA CGA 109.500 3.000
   HEC CAA CBA HBA1 109.500 3.000
   HEC CAA CBA HBA2 109.500 3.000
   HEC CGA CBA HBA1 109.500 3.000
   HEC CGA CBA HBA2 109.500 3.000
   HEC HBA1 CBA HBA2 109.500 3.000
   HEC CAD CBD CGD 109.500 3.000
   HEC CAD CBD HBD1 109.500 3.000
   HEC CAD CBD HBD2 109.500 3.000
   HEC CGD CBD HBD1 109.500 3.000
   HEC CGD CBD HBD2 109.500 3.000
   HEC HBD1 CBD HBD2 109.500 3.000
   HEC CBA CGA O1A 118.500 3.000
   HEC CBA CGA O2A 118.500 3.000
   HEC O1A CGA O2A 123.000 3.000
   HEC CBD CGD O1D 118.500 3.000
   HEC CBD CGD O2D 118.500 3.000
   HEC O1D CGD O2D 123.000 3.000
   HEC C2A C3A CMA 126.000 3.000
   HEC C2A C3A C4A 108.000 3.000
   HEC C4A C3A CMA 126.000 3.000
   HEC C3D C2D CMD 126.000 3.000
   HEC C3D C2D C1D 108.000 3.000
   HEC C1D C2D CMD 126.000 3.000
   HEC C3A CMA HMA1 109.500 3.000
   HEC C3A CMA HMA2 109.500 3.000
   HEC C3A CMA HMA3 109.500 3.000
   HEC HMA1 CMA HMA2 109.500 3.000
   HEC HMA1 CMA HMA3 109.500 3.000
   HEC HMA2 CMA HMA3 109.500 3.000
   HEC C2D CMD HMD1 109.500 3.000
   HEC C2D CMD HMD2 109.500 3.000
   HEC C2D CMD HMD3 109.500 3.000
   HEC HMD1 CMD HMD2 109.500 3.000
   HEC HMD1 CMD HMD3 109.500 3.000
   HEC HMD2 CMD HMD3 109.500 3.000
   HEC C3A C4A CHB 126.000 3.000
   HEC C3A C4A NA 108.000 3.000
   HEC NA C4A CHB 126.000 3.000
   HEC C2D C1D CHD 126.000 3.000
   HEC C2D C1D ND 108.000 3.000
   HEC ND C1D CHD 126.000 3.000
   HEC C1A NA C4A 108.000 3.000
   HEC C1A NA FE 126.000 10.000
   HEC FE NA C4A 126.000 10.000
   HEC C4D ND C1D 108.000 3.000
   HEC C4D ND FE 126.000 10.000
   HEC FE ND C1D 126.000 10.000
   HEC C4A CHB C1B 126.000 3.000
   HEC HHB CHB C1B 117.000 3.000
   HEC HHB CHB C4A 117.000 3.000
   HEC C4C CHD C1D 126.000 3.000
   HEC HHD CHD C1D 117.000 3.000
   HEC HHD CHD C4C 117.000 3.000
   HEC CHB C1B C2B 126.000 3.000
   HEC CHB C1B NB 126.000 3.000
   HEC C2B C1B NB 108.000 3.000
   HEC CHC C1C C2C 126.000 3.000
   HEC CHC C1C NC 126.000 3.000
   HEC C2C C1C NC 108.000 3.000
   HEC C1B C2B CMB 126.000 3.000
   HEC CMB C2B C3B 126.000 3.000
   HEC C1B C2B C3B 108.000 3.000
   HEC C1C C2C CMC 126.000 3.000
   HEC CMC C2C C3C 126.000 3.000
   HEC C1C C2C C3C 108.000 3.000
   HEC C2B CMB HMB1 109.500 3.000
   HEC C2B CMB HMB2 109.500 3.000
   HEC C2B CMB HMB3 109.500 3.000
   HEC HMB1 CMB HMB2 109.500 3.000
   HEC HMB1 CMB HMB3 109.500 3.000
   HEC HMB2 CMB HMB3 109.500 3.000
   HEC C2C CMC HMC1 109.500 3.000
   HEC C2C CMC HMC2 109.500 3.000
   HEC C2C CMC HMC3 109.500 3.000
   HEC HMC1 CMC HMC2 109.500 3.000
   HEC HMC1 CMC HMC3 109.500 3.000
   HEC HMC2 CMC HMC3 109.500 3.000
   HEC C2B C3B CAB 126.000 3.000
   HEC C4B C3B CAB 126.000 3.000
   HEC C4B C3B C2B 108.000 3.000
   HEC C2C C3C CAC 126.000 3.000
   HEC C4C C3C CAC 126.000 3.000
   HEC C4C C3C C2C 108.000 3.000
   HEC C3B CAB CBB 109.000 3.000
   HEC C3B CAB HAB 109.000 3.000
   HEC HAB CAB CBB 109.000 3.000
   HEC CAB CBB HBB1 109.000 3.000
   HEC CAB CBB HBB2 109.000 3.000
   HEC CAB CBB HBB3 109.000 3.000
   HEC HBB1 CBB HBB2 109.000 3.000
   HEC HBB1 CBB HBB3 109.000 3.000
   HEC HBB2 CBB HBB3 109.000 3.000
   HEC C3C CAC CBC 109.000 3.000
   HEC C3C CAC HAC 109.000 3.000
   HEC HAC CAC CBC 109.000 3.000
   HEC CAC CBC HBC1 109.000 3.000
   HEC CAC CBC HBC2 109.000 3.000
   HEC CAC CBC HBC3 109.000 3.000
   HEC HBC1 CBC HBC2 109.000 3.000
   HEC HBC1 CBC HBC3 109.000 3.000
   HEC HBC2 CBC HBC3 109.000 3.000
   HEC C3B C4B CHC 126.000 3.000
   HEC CHC C4B NB 126.000 3.000
   HEC NB C4B C3B 108.000 3.000
   HEC C3C C4C CHD 126.000 3.000
   HEC CHD C4C NC 126.000 3.000
   HEC NC C4C C3C 108.000 3.000
   HEC C4B NB C1B 108.000 3.000
   HEC C4B NB FE 126.000 10.000
   HEC FE NB C1B 126.000 10.000
   HEC C4C NC C1C 108.000 3.000
   HEC C4C NC FE 126.000 10.000
   HEC FE NC C1C 126.000 10.000
   HEC C4B CHC C1C 126.000 3.000
   HEC HHC CHC C1C 117.000 3.000
   HEC HHC CHC C4B 117.000 3.000
   HEC NA FE NB 90.000 10.000
   HEC NA FE ND 90.000 10.000
   HEC NB FE NC 90.000 10.000
   HEC NC FE ND 90.000 10.000
   HEC NB FE ND 180.000 10.000
   HEC NA FE NC 180.000 10.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   HEC CONST_01 CHA C1A C2A C3A 180.000 0.000 0
   HEC chi1 C1A C2A CAA CBA 180.000 20.000 2
   HEC chi2 C2A CAA CBA CGA 180.000 20.000 2
   HEC chi3 CAA CBA CGA O2A 180.000 20.000 2
   HEC CONST_02 C1A C2A C3A C4A 0.000 0.000 0
   HEC hh1 C2A C3A CMA HMA3 0.000 20.000 3
   HEC CONST_03 C2A C3A C4A CHB 180.000 0.000 0
   HEC CONST_04 C3A C4A CHB C1B 180.000 0.000 0
   HEC CONST_05 C4A CHB C1B C2B 180.000 0.000 0
   HEC CONST_06 CHB C1B C2B C3B 180.000 0.000 0
   HEC hh2 C1B C2B CMB HMB3 0.000 20.000 3
   HEC CONST_07 C1B C2B C3B C4B 0.000 0.000 0
   HEC chi4 C2B C3B CAB CBB 60.000 10.000 2
   HEC hh3 C3B CAB CBB HBB2 180.000 20.000 2
   HEC CONST_08 C2B C3B C4B CHC 180.000 0.000 0
   HEC CONST_09 C3B C4B CHC C1C 180.000 0.000 0
   HEC CONST_10 C4B CHC C1C C2C 180.000 0.000 0
   HEC CONST_11 CHC C1C C2C C3C 180.000 0.000 0
   HEC hh4 C1C C2C CMC HMC3 0.000 20.000 3
   HEC CONST_12 C1C C2C C3C C4C 0.000 0.000 0
   HEC chi5 C2C C3C CAC CBC 60.000 10.000 2
   HEC hh5 C3C CAC CBC HBC2 180.000 20.000 2
   HEC CONST_13 C2C C3C C4C CHD 180.000 0.000 0
   HEC CONST_14 C3C C4C CHD C1D 180.000 0.000 0
   HEC CONST_15 C4C CHD C1D C2D 180.000 0.000 0
   HEC CONST_16 CHD C1D C2D C3D 180.000 0.000 0
   HEC hh6 C1D C2D CMD HMD3 0.000 20.000 3
   HEC CONST_17 C1D C2D C3D C4D 0.000 0.000 0
   HEC chi6 C2D C3D CAD CBD 180.000 20.000 2
   HEC chi7 C3D CAD CBD CGD 180.000 20.000 2
   HEC chi8 CAD CBD CGD O2D 180.000 20.000 2
   HEC CONST_18 C2D C3D C4D ND 0.000 0.000 0
   HEC CONST_19 C3D C4D ND FE 180.000 0.000 0
   HEC CONST_20 C2A C1A CHA HHA 0.000 0.000 0
   HEC CONST_21 C2B C1B CHB HHB 0.000 0.000 0
   HEC CONST_22 C2C C1C CHC HHC 0.000 0.000 0
   HEC CONST_23 C2D C1D CHD HHD 0.000 0.000 0

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

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

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

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

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   SO4 S O1 deloc 1.498 0.020 1.498
   SO4 S O2 deloc 1.498 0.020 1.498
   SO4 S O3 deloc 1.499 0.020 1.499
   SO4 S O4 deloc 1.499 0.020 1.499

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   SO4 O4 S O3 109.51 3.000
   SO4 O4 S O2 109.50 3.000
   SO4 O3 S O2 109.51 3.000
   SO4 O4 S O1 109.48 3.000
   SO4 O3 S O1 109.33 3.000
   SO4 O2 S O1 109.49 3.000

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

