data_8pyp_qFit
_cell.length_a                    79.200
_cell.length_b                    79.200
_cell.length_c                    38.200
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      239614.834
_space_group.crystal_system       tetragonal
_space_group.IT_number            96
_space_group.name_H-M_alt         'P 43 21 2'
_space_group.name_Hall            ' P 4nw 2abw'
_symmetry.space_group_name_H-M    'P 43 21 2'
_symmetry.space_group_name_Hall   ' P 4nw 2abw'
_symmetry.Int_Tables_number       96
_reflns.B_iso_Wilson_estimate     25.10
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              25.05
_refine.ls_d_res_high             1.40
_refine.pdbx_ls_sigma_F           1.34
_refine.ls_percent_reflns_obs     99.36
_refine.ls_number_reflns_obs      24354
_refine.ls_number_reflns_R_work   22354
_refine.ls_number_reflns_R_free   2000
_refine.ls_R_factor_obs           0.1831
_refine.ls_R_factor_R_work        0.1804
_refine.ls_R_factor_R_free        0.2127
_refine.ls_percent_reflns_R_free  8.21
_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             0.3011
_refine.pdbx_overall_phase_error  20.7890
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                26.52
_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 -y+1/2,x+1/2,z+3/4
   3 y+1/2,-x+1/2,z+1/4
   4 x+1/2,-y+1/2,-z+1/4
   5 -x+1/2,y+1/2,-z+3/4
   6 -x,-y,z+1/2
   7 y,x,-z
   8 -y,-x,-z+1/2

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 1070 0.0109 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1458 1.1617 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 149 0.0968 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 194 0.0133 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 385 13.1510 ? ?

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' 3.37 25.05 1750 0.1587 99.84 0.1732 157
   'X-RAY DIFFRACTION' 2.68 3.37 1648 0.1656 100.00 0.1935 147
   'X-RAY DIFFRACTION' 2.34 2.68 1628 0.1681 100.00 0.2318 145
   'X-RAY DIFFRACTION' 2.13 2.34 1612 0.1556 100.00 0.1994 144
   'X-RAY DIFFRACTION' 1.97 2.13 1608 0.1550 100.00 0.1766 145
   'X-RAY DIFFRACTION' 1.86 1.97 1599 0.1492 99.89 0.2143 143
   'X-RAY DIFFRACTION' 1.76 1.86 1593 0.1891 100.00 0.2388 142
   'X-RAY DIFFRACTION' 1.69 1.76 1578 0.2395 99.94 0.2915 141
   'X-RAY DIFFRACTION' 1.62 1.69 1586 0.2051 100.00 0.2480 142
   'X-RAY DIFFRACTION' 1.57 1.62 1579 0.1998 99.88 0.2191 142
   'X-RAY DIFFRACTION' 1.52 1.57 1569 0.2656 99.88 0.2977 140
   'X-RAY DIFFRACTION' 1.47 1.52 1574 0.4198 99.65 0.4572 141
   'X-RAY DIFFRACTION' 1.44 1.47 1571 0.6539 98.79 0.6837 140
   'X-RAY DIFFRACTION' 1.40 1.44 1459 0.8760 92.98 0.8239 131

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

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 disulf CYS A 6 SG CYS A 6 SG . CYS A 127 SG CYS A 127 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'
   C00002 disulf CYS A 30 SG CYS A 30 SG . CYS A 115 SG CYS A 115 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'
   C00003 disulf CYS A 64 SG CYS A 64 SG . CYS A 80 SG CYS A 80 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'
   C00004 disulf CYS A 76 SG CYS A 76 SG . CYS A 94 SG CYS A 94 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'

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.
;
 .
   Cl . . 9.50761 7.44341 . . 1.04373 23.83732 . . 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.
;
 .
   Na1+ . . 5.56094 4.42395 . . 7.30808 1.06976 . . 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
   CL
   CYS
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   NA
   PHE
   PRO
   SER
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . LYS A 1 ? -9.99650 3.23744 -18.32087 1.000 23.76869 N ? A ? 1 N 1
   ATOM 2 CA . LYS A 1 ? -10.37620 2.36604 -19.43712 1.000 22.80373 C ? A ? 1 CA 1
   ATOM 3 C . LYS A 1 ? -11.87684 2.45239 -19.66752 1.000 22.08621 C ? A ? 1 C 1
   ATOM 4 O . LYS A 1 ? -12.64820 2.49148 -18.68822 1.000 21.66598 O ? A ? 1 O 1
   ATOM 5 CB . LYS A 1 ? -9.99008 0.93124 -19.09653 1.000 23.24994 C ? A ? 1 CB 1
   ATOM 6 CG . LYS A 1 ? -10.51504 -0.09446 -20.06187 1.000 23.93272 C ? A ? 1 CG 1
   ATOM 7 CD . LYS A 1 ? -9.96007 -1.46501 -19.66319 1.000 29.49637 C ? A ? 1 CD 1
   ATOM 8 CE . LYS A 1 ? -10.52498 -2.54348 -20.58843 1.000 30.00999 C ? A ? 1 CE 1
   ATOM 9 NZ . LYS A 1 ? -9.88239 -3.87235 -20.29566 1.000 44.78251 N ? A ? 1 NZ 1
   ATOM 10 N . VAL A 2 ? -12.30724 2.49514 -20.92857 1.000 21.21377 N ? A ? 2 N 1
   ATOM 11 CA . VAL A 2 ? -13.72178 2.43321 -21.27356 1.000 23.96121 C ? A ? 2 CA 1
   ATOM 12 C . VAL A 2 ? -13.98067 1.02509 -21.78627 1.000 23.46132 C ? A ? 2 C 1
   ATOM 13 O . VAL A 2 ? -13.45190 0.63332 -22.83648 1.000 27.08889 O ? A ? 2 O 1
   ATOM 14 CB . VAL A 2 ? -14.10149 3.49070 -22.31320 1.000 23.33350 C ? A ? 2 CB 1
   ATOM 15 CG1 . VAL A 2 ? -15.53882 3.31017 -22.75970 1.000 26.87432 C ? A ? 2 CG1 1
   ATOM 16 CG2 . VAL A 2 ? -13.89760 4.89494 -21.74177 1.000 25.11380 C ? A ? 2 CG2 1
   ATOM 17 N . PHE A 3 ? -14.76258 0.23066 -21.04911 1.000 20.44100 N ? A ? 3 N 1
   ATOM 18 CA . PHE A 3 ? -15.01723 -1.15425 -21.44048 1.000 21.03410 C ? A ? 3 CA 1
   ATOM 19 C . PHE A 3 ? -16.07071 -1.23488 -22.52905 1.000 22.99732 C ? A ? 3 C 1
   ATOM 20 O . PHE A 3 ? -16.98567 -0.42673 -22.60702 1.000 25.44246 O ? A ? 3 O 1
   ATOM 21 CB . PHE A 3 ? -15.57591 -1.94538 -20.23529 1.000 20.97332 C ? A ? 3 CB 1
   ATOM 22 CG . PHE A 3 ? -14.52989 -2.48543 -19.30601 1.000 18.89372 C ? A ? 3 CG 1
   ATOM 23 CD1 . PHE A 3 ? -13.91018 -1.66713 -18.34175 1.000 24.99356 C ? A ? 3 CD1 1
   ATOM 24 CD2 . PHE A 3 ? -14.17156 -3.83007 -19.34463 1.000 26.01379 C ? A ? 3 CD2 1
   ATOM 25 CE1 . PHE A 3 ? -12.95144 -2.20084 -17.46509 1.000 24.88001 C ? A ? 3 CE1 1
   ATOM 26 CE2 . PHE A 3 ? -13.22351 -4.37584 -18.49203 1.000 24.29695 C ? A ? 3 CE2 1
   ATOM 27 CZ . PHE A 3 ? -12.58667 -3.55840 -17.53923 1.000 27.91293 C ? A ? 3 CZ 1
   ATOM 28 N . GLY A 4 ? -15.95319 -2.27306 -23.37447 1.000 26.48857 N ? A ? 4 N 1
   ATOM 29 CA . GLY A 4 ? -17.10351 -2.69312 -24.13033 1.000 24.28811 C ? A ? 4 CA 1
   ATOM 30 C . GLY A 4 ? -18.05897 -3.49885 -23.26975 1.000 22.47912 C ? A ? 4 C 1
   ATOM 31 O . GLY A 4 ? -17.67208 -4.06637 -22.25933 1.000 23.53126 O ? A ? 4 O 1
   ATOM 32 N . ARG A 5 ? -19.31062 -3.53718 -23.70787 1.000 24.96277 N ? A ? 5 N 1
   ATOM 33 CA . ARG A 5 ? -20.37880 -4.20023 -22.96278 1.000 23.76425 C ? A ? 5 CA 1
   ATOM 34 C . ARG A 5 ? -20.03912 -5.66221 -22.65599 1.000 22.76316 C ? A ? 5 C 1
   ATOM 35 O . ARG A 5 ? -20.08759 -6.11024 -21.50214 1.000 24.12053 O ? A ? 5 O 1
   ATOM 36 CB . ARG A 5 ? -21.65934 -4.04834 -23.78562 1.000 28.60824 C ? A ? 5 CB 1
   ATOM 37 CG . ARG A 5 ? -22.87248 -4.77164 -23.24808 1.000 27.42975 C ? A ? 5 CG 1
   ATOM 38 CD . ARG A 5 ? -24.10504 -4.56582 -24.13947 1.000 26.58790 C ? A ? 5 CD 1
   ATOM 39 NE . ARG A 5 ? -23.97713 -5.12721 -25.48167 1.000 35.82989 N ? A ? 5 NE 1
   ATOM 40 CZ . ARG A 5 ? -24.33899 -6.35861 -25.82466 1.000 35.51719 C ? A ? 5 CZ 1
   ATOM 41 NH1 . ARG A 5 ? -24.77688 -7.22863 -24.92635 1.000 31.87067 N ? A ? 5 NH1 1
   ATOM 42 NH2 . ARG A 5 ? -24.24736 -6.73011 -27.10150 1.000 38.44328 N ? A ? 5 NH2 1
   ATOM 43 N . CYS A 6 ? -19.70536 -6.44460 -23.68509 1.000 23.33203 N ? A ? 6 N 1
   ATOM 44 CA . CYS A 6 ? -19.42552 -7.85829 -23.43791 1.000 24.01603 C ? A ? 6 CA 1
   ATOM 45 C . CYS A 6 ? -18.08901 -8.08978 -22.75119 1.000 21.53800 C ? A ? 6 C 1
   ATOM 46 O . CYS A 6 ? -17.94394 -9.04028 -21.97817 1.000 23.76838 O ? A ? 6 O 1
   ATOM 47 CB . CYS A 6 ? -19.47811 -8.66362 -24.75599 1.000 24.89707 C ? A ? 6 CB 1
   ATOM 48 SG . CYS A 6 ? -21.12035 -8.73427 -25.54589 1.000 28.41258 S ? A ? 6 SG 1
   ATOM 49 N . GLU A 7 ? -17.09500 -7.22190 -22.99898 1.000 23.24894 N ? A ? 7 N 1
   ATOM 50 CA . GLU A 7 ? -15.84407 -7.31595 -22.26990 1.000 22.38932 C ? A ? 7 CA 1
   ATOM 51 C . GLU A 7 ? -16.06040 -7.11844 -20.77475 1.000 18.46550 C ? A ? 7 C 1
   ATOM 52 O . GLU A 7 ? -15.48722 -7.83749 -19.95459 1.000 22.78211 O ? A ? 7 O 1
   ATOM 53 CB . GLU A 7 ? -14.88912 -6.23444 -22.78376 1.000 25.62374 C ? A ? 7 CB 1
   ATOM 54 CG . GLU A 7 ? -13.50292 -6.25817 -22.16712 1.000 31.42429 C ? A ? 7 CG 1
   ATOM 55 CD . GLU A 7 ? -12.67964 -5.02571 -22.53209 1.000 34.16898 C ? A ? 7 CD 1
   ATOM 56 OE1 . GLU A 7 ? -13.25163 -3.98615 -22.99141 1.000 29.76225 O ? A ? 7 OE1 1
   ATOM 57 OE2 . GLU A 7 ? -11.44823 -5.10781 -22.34802 1.000 38.30405 O ? A ? 7 OE2 1
   ATOM 58 N . LEU A 8 ? -16.91877 -6.14819 -20.40439 1.000 22.50124 N ? A ? 8 N 1
   ATOM 59 CA . LEU A 8 ? -17.17967 -5.95073 -18.97609 1.000 21.11438 C ? A ? 8 CA 1
   ATOM 60 C . LEU A 8 ? -17.98610 -7.10933 -18.39716 1.000 19.40394 C ? A ? 8 C 1
   ATOM 61 O . LEU A 8 ? -17.75424 -7.53214 -17.26031 1.000 21.94043 O ? A ? 8 O 1
   ATOM 62 CB . LEU A 8 ? -17.92500 -4.62774 -18.79753 1.000 20.92967 C ? A ? 8 CB 1
   ATOM 63 CG . LEU A 8 ? -18.30664 -4.34808 -17.35098 1.000 22.75884 C ? A ? 8 CG 1
   ATOM 64 CD1 . LEU A 8 ? -17.00768 -4.05397 -16.66591 1.000 23.21543 C ? A ? 8 CD1 1
   ATOM 65 CD2 . LEU A 8 ? -19.24741 -3.13735 -17.25909 1.000 25.53162 C ? A ? 8 CD2 1
   ATOM 66 N . ALA A 9 ? -18.96874 -7.60979 -19.15000 1.000 20.14801 N ? A ? 9 N 1
   ATOM 67 CA . ALA A 9 ? -19.75517 -8.74092 -18.66629 1.000 21.02436 C ? A ? 9 CA 1
   ATOM 68 C . ALA A 9 ? -18.85349 -9.92369 -18.33729 1.000 20.93093 C ? A ? 9 C 1
   ATOM 69 O . ALA A 9 ? -18.99655 -10.56401 -17.28954 1.000 23.05445 O ? A ? 9 O 1
   ATOM 70 CB . ALA A 9 ? -20.77913 -9.12073 -19.74253 1.000 24.67353 C ? A ? 9 CB 1
   ATOM 71 N . ALA A 10 ? -17.90790 -10.22168 -19.22978 1.000 23.31035 N ? A ? 10 N 1
   ATOM 72 CA . ALA A 10 ? -17.00808 -11.33889 -18.99082 1.000 25.88528 C ? A ? 10 CA 1
   ATOM 73 C . ALA A 10 ? -16.10604 -11.09136 -17.78768 1.000 22.53378 C ? A ? 10 C 1
   ATOM 74 O . ALA A 10 ? -15.83370 -12.00513 -17.00353 1.000 24.10073 O ? A ? 10 O 1
   ATOM 75 CB . ALA A 10 ? -16.16374 -11.57938 -20.25450 1.000 28.38562 C ? A ? 10 CB 1
   ATOM 76 N . ALA A 11 ? -15.61241 -9.86549 -17.62325 1.000 23.86868 N ? A ? 11 N 1
   ATOM 77 CA . ALA A 11 ? -14.80067 -9.56166 -16.45959 1.000 22.25522 C ? A ? 11 CA 1
   ATOM 78 C . ALA A 11 ? -15.60349 -9.67519 -15.15977 1.000 21.34672 C ? A ? 11 C 1
   ATOM 79 O . ALA A 11 ? -15.09600 -10.16788 -14.13923 1.000 23.87419 O ? A ? 11 O 1
   ATOM 80 CB . ALA A 11 ? -14.22516 -8.15086 -16.60982 1.000 29.33768 C ? A ? 11 CB 1
   ATOM 81 N . MET A 12 ? -16.85999 -9.21274 -15.16941 1.000 23.13476 N ? A ? 12 N 1
   ATOM 82 CA . MET A 12 ? -17.66289 -9.32439 -13.95292 1.000 23.68336 C ? A ? 12 CA 1
   ATOM 83 C . MET A 12 ? -17.98832 -10.77467 -13.64592 1.000 24.50715 C ? A ? 12 C 1
   ATOM 84 O . MET A 12 ? -18.03399 -11.16395 -12.46900 1.000 24.32091 O ? A ? 12 O 1
   ATOM 85 CB . MET A 12 ? -18.94242 -8.50577 -14.08109 1.000 21.59505 C ? A ? 12 CB 1
   ATOM 86 CG . MET A 12 ? -18.69254 -7.00977 -14.02145 1.000 21.83650 C ? A ? 12 CG 1
   ATOM 87 SD . MET A 12 ? -20.22402 -6.13633 -14.35642 1.000 22.35066 S ? A ? 12 SD 1
   ATOM 88 CE . MET A 12 ? -19.88128 -4.63878 -13.41306 1.000 21.70301 C ? A ? 12 CE 1
   ATOM 89 N . LYS A 13 ? -18.21657 -11.58496 -14.68807 1.000 23.68531 N ? A ? 13 N 1
   ATOM 90 CA . LYS A 13 ? -18.47444 -13.00487 -14.45109 1.000 25.03922 C ? A ? 13 CA 1
   ATOM 91 C . LYS A 13 ? -17.25666 -13.67786 -13.86190 1.000 25.64108 C ? A ? 13 C 1
   ATOM 92 O . LYS A 13 ? -17.36979 -14.47849 -12.93133 1.000 26.76090 O ? A ? 13 O 1
   ATOM 93 CB . LYS A 13 ? -18.89698 -13.70595 -15.75026 1.000 26.62310 C ? A ? 13 CB 1
   ATOM 94 CG . LYS A 13 ? -19.25041 -15.16648 -15.49435 1.000 31.56659 C ? A ? 13 CG 1
   ATOM 95 CD . LYS A 13 ? -20.02858 -15.75710 -16.63734 1.000 42.30071 C ? A ? 13 CD 1
   ATOM 96 CE . LYS A 13 ? -20.29233 -17.23229 -16.35994 1.000 54.58095 C ? A ? 13 CE 1
   ATOM 97 NZ . LYS A 13 ? -21.32182 -17.78249 -17.26970 1.000 57.69587 N ? A ? 13 NZ 1
   ATOM 98 N . ARG A 14 ? -16.06564 -13.35913 -14.39162 1.000 24.32993 N ? A ? 14 N 1
   ATOM 99 CA . ARG A 14 ? -14.85693 -13.97245 -13.86179 1.000 26.00931 C ? A ? 14 CA 1
   ATOM 100 C . ARG A 14 ? -14.65297 -13.61495 -12.40394 1.000 32.51527 C ? A ? 14 C 1
   ATOM 101 O . ARG A 14 ? -14.14751 -14.42891 -11.63745 1.000 31.37841 O ? A ? 14 O 1
   ATOM 102 CB . ARG A 14 ? -13.62491 -13.61150 -14.70476 1.000 30.95782 C ? A ? 14 CB 1
   ATOM 103 CG . ARG A 14 ? -12.37182 -14.30088 -14.16404 1.000 46.87397 C ? A ? 14 CG 1
   ATOM 104 CD . ARG A 14 ? -11.17048 -14.11555 -15.06147 1.000 52.49721 C ? A ? 14 CD 1
   ATOM 105 NE . ARG A 14 ? -10.81304 -12.71261 -15.22171 1.000 47.07950 N ? A ? 14 NE 1
   ATOM 106 CZ . ARG A 14 ? -9.90559 -12.08120 -14.48774 1.000 46.94457 C ? A ? 14 CZ 1
   ATOM 107 NH1 . ARG A 14 ? -9.26389 -12.69241 -13.50471 1.000 48.71670 N ? A ? 14 NH1 1
   ATOM 108 NH2 . ARG A 14 ? -9.63517 -10.80497 -14.74716 1.000 53.81105 N ? A ? 14 NH2 1
   ATOM 109 N . HIS A 15 ? -15.09581 -12.42669 -11.99234 1.000 25.98969 N ? A ? 15 N 1
   ATOM 110 CA . HIS A 15 ? -14.94425 -11.97022 -10.62326 1.000 25.86181 C ? A ? 15 CA 1
   ATOM 111 C . HIS A 15 ? -16.13624 -12.32958 -9.73203 1.000 27.73755 C ? A ? 15 C 1
   ATOM 112 O . HIS A 15 ? -16.20724 -11.81863 -8.60883 1.000 31.18277 O ? A ? 15 O 1
   ATOM 113 CB . HIS A 15 ? -14.69998 -10.45430 -10.61447 1.000 25.58905 C ? A ? 15 CB 1
   ATOM 114 CG . HIS A 15 ? -13.28729 -10.08147 -10.94232 1.000 30.24690 C ? A ? 15 CG 1
   ATOM 115 ND1 . HIS A 15 ? -12.90640 -9.59082 -12.17294 1.000 30.32134 N ? A ? 15 ND1 1
   ATOM 116 CD2 . HIS A 15 ? -12.15240 -10.17931 -10.20947 1.000 38.22389 C ? A ? 15 CD2 1
   ATOM 117 CE1 . HIS A 15 ? -11.60140 -9.36920 -12.17327 1.000 35.54015 C ? A ? 15 CE1 1
   ATOM 118 NE2 . HIS A 15 ? -11.12099 -9.72402 -10.99558 1.000 37.63643 N ? A ? 15 NE2 1
   ATOM 119 N . GLY A 16 ? -17.03508 -13.21091 -10.18671 1.000 25.31367 N ? A ? 16 N 1
   ATOM 120 CA . GLY A 16 ? -18.03641 -13.83439 -9.32049 1.000 25.29496 C ? A ? 16 CA 1
   ATOM 121 C . GLY A 16 ? -19.29245 -13.02258 -9.08210 1.000 28.67158 C ? A ? 16 C 1
   ATOM 122 O . GLY A 16 ? -20.01241 -13.28153 -8.11018 1.000 28.59623 O ? A ? 16 O 1
   ATOM 123 N . LEU A 17 ? -19.60048 -12.05978 -9.95264 1.000 27.31788 N ? A ? 17 N 1
   ATOM 124 CA . LEU A 17 ? -20.83185 -11.28659 -9.77870 1.000 25.68806 C ? A ? 17 CA 1
   ATOM 125 C . LEU A 17 ? -22.07758 -11.93505 -10.37258 1.000 26.29862 C ? A ? 17 C 1
   ATOM 126 O . LEU A 17 ? -23.18860 -11.49218 -10.05986 1.000 26.11890 O ? A ? 17 O 1
   ATOM 127 CB . LEU A 17 ? -20.70475 -9.90256 -10.40344 1.000 23.85735 C ? A ? 17 CB 1
   ATOM 128 CG . LEU A 17 ? -19.92814 -8.86033 -9.63112 1.000 25.92161 C ? A ? 17 CG 1
   ATOM 129 CD1 . LEU A 17 ? -19.93423 -7.55675 -10.43879 1.000 26.59774 C ? A ? 17 CD1 1
   ATOM 130 CD2 . LEU A 17 ? -20.49219 -8.58433 -8.26244 1.000 25.03757 C ? A ? 17 CD2 1
   ATOM 131 N . ASP A 18 ? -21.96751 -12.95376 -11.22260 1.000 25.77307 N ? A ? 18 N 1
   ATOM 132 CA . ASP A 18 ? -23.16403 -13.51391 -11.83429 1.000 24.59139 C ? A ? 18 CA 1
   ATOM 133 C . ASP A 18 ? -23.97293 -14.24125 -10.77583 1.000 32.47069 C ? A ? 18 C 1
   ATOM 134 O . ASP A 18 ? -23.47963 -15.20185 -10.17005 1.000 28.83984 O ? A ? 18 O 1
   ATOM 135 CB . ASP A 18 ? -22.78980 -14.47405 -12.96111 1.000 31.25027 C ? A ? 18 CB 1
   ATOM 136 CG . ASP A 18 ? -23.98005 -14.84436 -13.86147 1.000 41.50800 C ? A ? 18 CG 1
   ATOM 137 OD1 . ASP A 18 ? -25.11016 -14.30604 -13.71635 1.000 32.54730 O ? A ? 18 OD1 1
   ATOM 138 OD2 . ASP A 18 ? -23.77444 -15.70895 -14.74945 1.000 45.68573 O ? A ? 18 OD2 1
   ATOM 139 N . ASN A 19 ? -25.20025 -13.76337 -10.54133 1.000 26.27426 N ? A ? 19 N 1
   ATOM 140 CA . ASN A 19 ? -26.09433 -14.26384 -9.50844 1.000 23.53049 C ? A ? 19 CA 1
   ATOM 141 C . ASN A 19 ? -25.59168 -13.99938 -8.10548 1.000 25.13321 C ? A ? 19 C 1
   ATOM 142 O . ASN A 19 ? -26.04539 -14.63936 -7.15340 1.000 26.54912 O ? A ? 19 O 1
   ATOM 143 CB . ASN A 19 ? -26.39827 -15.75471 -9.69715 1.000 33.37438 C ? A ? 19 CB 1
   ATOM 144 CG . ASN A 19 ? -26.85535 -16.06321 -11.09555 1.000 47.94119 C ? A ? 19 CG 1
   ATOM 145 OD1 . ASN A 19 ? -27.79675 -15.44437 -11.60106 1.000 49.74793 O ? A ? 19 OD1 1
   ATOM 146 ND2 . ASN A 19 ? -26.17421 -17.00405 -11.75178 1.000 54.52578 N ? A ? 19 ND2 1
   ATOM 147 N . TYR A 20 ? -24.65625 -13.07447 -7.91696 1.000 24.82579 N ? A ? 20 N 1
   ATOM 148 CA . TYR A 20 ? -24.23938 -12.74351 -6.56134 1.000 20.97749 C ? A ? 20 CA 1
   ATOM 149 C . TYR A 20 ? -25.41635 -12.12393 -5.79921 1.000 26.48628 C ? A ? 20 C 1
   ATOM 150 O . TYR A 20 ? -26.04365 -11.16024 -6.26274 1.000 23.72910 O ? A ? 20 O 1
   ATOM 151 CB . TYR A 20 ? -23.05352 -11.79174 -6.59429 1.000 23.34931 C ? A ? 20 CB 1
   ATOM 152 CG . TYR A 20 ? -22.38588 -11.65640 -5.24695 1.000 23.34741 C ? A ? 20 CG 1
   ATOM 153 CD1 . TYR A 20 ? -21.43820 -12.58115 -4.82393 1.000 24.93539 C ? A ? 20 CD1 1
   ATOM 154 CD2 . TYR A 20 ? -22.74959 -10.63363 -4.36579 1.000 25.04040 C ? A ? 20 CD2 1
   ATOM 155 CE1 . TYR A 20 ? -20.82716 -12.46372 -3.58184 1.000 27.82584 C ? A ? 20 CE1 1
   ATOM 156 CE2 . TYR A 20 ? -22.17096 -10.51333 -3.13234 1.000 26.82768 C ? A ? 20 CE2 1
   ATOM 157 CZ . TYR A 20 ? -21.22084 -11.43517 -2.72768 1.000 28.88275 C ? A ? 20 CZ 1
   ATOM 158 OH . TYR A 20 ? -20.62587 -11.32849 -1.49617 1.000 37.68362 O ? A ? 20 OH 1
   ATOM 159 N . ARG A 21 ? -25.73829 -12.71031 -4.64227 1.000 23.70307 N ? A ? 21 N 1
   ATOM 160 CA . ARG A 21 ? -26.88696 -12.30302 -3.84862 1.000 25.16212 C ? A ? 21 CA 1
   ATOM 161 C . ARG A 21 ? -28.14815 -12.26657 -4.69030 1.000 20.78123 C ? A ? 21 C 1
   ATOM 162 O . ARG A 21 ? -29.07081 -11.49820 -4.43005 1.000 25.23951 O ? A ? 21 O 1
   ATOM 163 CB . ARG A 21 ? -26.62925 -10.95116 -3.18289 1.000 28.42426 C ? A ? 21 CB 1
   ATOM 164 CG . ARG A 21 ? -25.76363 -10.99662 -1.94963 1.000 39.12471 C ? A ? 21 CG 1
   ATOM 165 CD . ARG A 21 ? -26.40123 -11.89685 -0.91803 1.000 50.80239 C ? A ? 21 CD 1
   ATOM 166 NE . ARG A 21 ? -26.09766 -11.48110 0.44310 1.000 56.94182 N ? A ? 21 NE 1
   ATOM 167 CZ . ARG A 21 ? -24.95273 -11.73357 1.06316 1.000 62.04754 C ? A ? 21 CZ 1
   ATOM 168 NH1 . ARG A 21 ? -23.95340 -12.35601 0.44996 1.000 54.57804 N ? A ? 21 NH1 1
   ATOM 169 NH2 . ARG A 21 ? -24.80317 -11.34784 2.32911 1.000 63.11215 N ? A ? 21 NH2 1
   ATOM 170 N . GLY A 22 ? -28.21052 -13.12929 -5.69712 1.000 21.53290 N ? A ? 22 N 1
   ATOM 171 CA . GLY A 22 ? -29.38733 -13.26968 -6.51825 1.000 24.10280 C ? A ? 22 CA 1
   ATOM 172 C . GLY A 22 ? -29.51068 -12.33225 -7.69406 1.000 20.38884 C ? A ? 22 C 1
   ATOM 173 O . GLY A 22 ? -30.54102 -12.35513 -8.38508 1.000 23.12441 O ? A ? 22 O 1
   ATOM 174 N . TYR A 23 ? -28.49305 -11.51137 -7.96550 1.000 20.46511 N ? A ? 23 N 1
   ATOM 175 CA . TYR A 23 ? -28.56284 -10.53573 -9.05281 1.000 21.03481 C ? A ? 23 CA 1
   ATOM 176 C . TYR A 23 ? -27.82336 -11.08809 -10.27087 1.000 19.80204 C ? A ? 23 C 1
   ATOM 177 O . TYR A 23 ? -26.59545 -11.21547 -10.25884 1.000 23.12837 O ? A ? 23 O 1
   ATOM 178 CB . TYR A 23 ? -27.95103 -9.20505 -8.61273 1.000 17.75522 C ? A ? 23 CB 1
   ATOM 179 CG . TYR A 23 ? -28.80865 -8.49388 -7.60784 1.000 15.00513 C ? A ? 23 CG 1
   ATOM 180 CD1 . TYR A 23 ? -29.82098 -7.64604 -8.03398 1.000 16.94501 C ? A ? 23 CD1 1
   ATOM 181 CD2 . TYR A 23 ? -28.61625 -8.66752 -6.21636 1.000 17.12319 C ? A ? 23 CD2 1
   ATOM 182 CE1 . TYR A 23 ? -30.65040 -6.99073 -7.12060 1.000 15.78617 C ? A ? 23 CE1 1
   ATOM 183 CE2 . TYR A 23 ? -29.43660 -7.99906 -5.30142 1.000 15.49929 C ? A ? 23 CE2 1
   ATOM 184 CZ . TYR A 23 ? -30.44322 -7.17884 -5.77095 1.000 15.32043 C ? A ? 23 CZ 1
   ATOM 185 OH . TYR A 23 ? -31.25132 -6.51937 -4.85529 1.000 19.02097 O ? A ? 23 OH 1
   ATOM 186 N . SER A 24 ? -28.58724 -11.37799 -11.31662 1.000 20.18077 N ? A ? 24 N 1
   ATOM 187 CA . SER A 24 ? -28.00031 -11.90834 -12.53262 1.000 19.93753 C ? A ? 24 CA 1
   ATOM 188 C . SER A 24 ? -27.06922 -10.87699 -13.17943 1.000 24.95066 C ? A ? 24 C 1
   ATOM 189 O . SER A 24 ? -27.15111 -9.66326 -12.94377 1.000 19.23549 O ? A ? 24 O 1
   ATOM 190 CB . SER A 24 ? -29.10506 -12.29105 -13.50059 1.000 24.67182 C ? A ? 24 CB 1
   ATOM 191 OG . SER A 24 ? -29.78520 -11.13369 -13.95879 1.000 29.49612 O ? A ? 24 OG 1
   ATOM 192 N . LEU A 25 ? -26.19659 -11.37734 -14.05529 1.000 21.46307 N ? A ? 25 N 1
   ATOM 193 CA . LEU A 25 ? -25.11172 -10.56210 -14.58542 1.000 20.35450 C ? A ? 25 CA 1
   ATOM 194 C . LEU A 25 ? -25.61990 -9.31285 -15.27400 1.000 19.26912 C ? A ? 25 C 1
   ATOM 195 O . LEU A 25 ? -24.97830 -8.25063 -15.17889 1.000 19.59288 O ? A ? 25 O 1
   ATOM 196 CB . LEU A 25 ? -24.30567 -11.41702 -15.56388 1.000 22.36655 C ? A ? 25 CB 1
   ATOM 197 CG . LEU A 25 ? -22.99777 -10.87273 -16.05750 1.000 22.58524 C ? A ? 25 CG 1
   ATOM 198 CD1 . LEU A 25 ? -22.08860 -10.60568 -14.87920 1.000 23.63881 C ? A ? 25 CD1 1
   ATOM 199 CD2 . LEU A 25 ? -22.33866 -11.93633 -16.96478 1.000 23.90298 C ? A ? 25 CD2 1
   ATOM 200 N . GLY A 26 ? -26.72243 -9.40526 -16.03123 1.000 17.85957 N ? A ? 26 N 1
   ATOM 201 CA . GLY A 26 ? -27.26556 -8.24041 -16.71354 1.000 17.77533 C ? A ? 26 CA 1
   ATOM 202 C . GLY A 26 ? -27.53677 -7.05962 -15.78871 1.000 17.02392 C ? A ? 26 C 1
   ATOM 203 O . GLY A 26 ? -27.46572 -5.90487 -16.21660 1.000 18.73703 O ? A ? 26 O 1
   ATOM 204 N . ASN A 27 ? -27.91680 -7.33614 -14.54431 1.000 16.10670 N ? A ? 27 N 1
   ATOM 205 CA . ASN A 27 ? -28.16524 -6.23504 -13.59017 1.000 17.04819 C ? A ? 27 CA 1
   ATOM 206 C . ASN A 27 ? -26.89952 -5.44002 -13.35171 1.000 17.56686 C ? A ? 27 C 1
   ATOM 207 O . ASN A 27 ? -26.94240 -4.20772 -13.29744 1.000 16.55407 O ? A ? 27 O 1
   ATOM 208 CB . ASN A 27 ? -28.63460 -6.76624 -12.24065 1.000 18.13626 C ? A ? 27 CB 1
   ATOM 209 CG . ASN A 27 ? -30.06939 -7.21990 -12.26764 1.000 18.84022 C ? A ? 27 CG 1
   ATOM 210 OD1 . ASN A 27 ? -30.95841 -6.41084 -12.33278 1.000 20.55637 O ? A ? 27 OD1 1
   ATOM 211 ND2 . ASN A 27 ? -30.28456 -8.55243 -12.27598 1.000 21.16420 N ? A ? 27 ND2 1
   ATOM 212 N . TRP A 28 ? -25.75312 -6.11983 -13.24906 1.000 18.22195 N ? A ? 28 N 1
   ATOM 213 CA . TRP A 28 ? -24.49701 -5.41979 -12.96700 1.000 15.88229 C ? A ? 28 CA 1
   ATOM 214 C . TRP A 28 ? -23.98643 -4.65015 -14.18194 1.000 17.46266 C ? A ? 28 C 1
   ATOM 215 O . TRP A 28 ? -23.43885 -3.54795 -14.03562 1.000 17.73296 O ? A ? 28 O 1
   ATOM 216 CB . TRP A 28 ? -23.43447 -6.42595 -12.52303 1.000 18.27548 C ? A ? 28 CB 1
   ATOM 217 CG . TRP A 28 ? -23.83471 -7.13847 -11.27096 1.000 18.08508 C ? A ? 28 CG 1
   ATOM 218 CD1 . TRP A 28 ? -24.39001 -8.40285 -11.13995 1.000 20.09275 C ? A ? 28 CD1 1
   ATOM 219 CD2 . TRP A 28 ? -23.73747 -6.60681 -9.95703 1.000 17.89815 C ? A ? 28 CD2 1
   ATOM 220 NE1 . TRP A 28 ? -24.62032 -8.67781 -9.79961 1.000 19.62161 N ? A ? 28 NE1 1
   ATOM 221 CE2 . TRP A 28 ? -24.18495 -7.60172 -9.05841 1.000 19.57866 C ? A ? 28 CE2 1
   ATOM 222 CE3 . TRP A 28 ? -23.21108 -5.40480 -9.43978 1.000 20.95694 C ? A ? 28 CE3 1
   ATOM 223 CZ2 . TRP A 28 ? -24.20760 -7.38981 -7.68340 1.000 21.05851 C ? A ? 28 CZ2 1
   ATOM 224 CZ3 . TRP A 28 ? -23.22356 -5.21230 -8.09398 1.000 21.97183 C ? A ? 28 CZ3 1
   ATOM 225 CH2 . TRP A 28 ? -23.69798 -6.19223 -7.22338 1.000 22.73335 C ? A ? 28 CH2 1
   ATOM 226 N . VAL A 29 ? -24.15873 -5.19165 -15.39031 1.000 17.54609 N ? A ? 29 N 1
   ATOM 227 CA . VAL A 29 ? -23.77769 -4.48908 -16.61489 1.000 16.91955 C ? A ? 29 CA 1
   ATOM 228 C . VAL A 29 ? -24.66043 -3.26064 -16.83930 1.000 18.72839 C ? A ? 29 C 1
   ATOM 229 O . VAL A 29 ? -24.18302 -2.16958 -17.18477 1.000 17.75321 O ? A ? 29 O 1
   ATOM 230 CB . VAL A 29 ? -23.81989 -5.46979 -17.81879 1.000 17.35526 C ? A ? 29 CB 1
   ATOM 231 CG1 . VAL A 29 ? -23.55669 -4.73642 -19.13485 1.000 19.69733 C ? A ? 29 CG1 1
   ATOM 232 CG2 . VAL A 29 ? -22.82509 -6.59761 -17.57686 1.000 19.08028 C ? A ? 29 CG2 1
   ATOM 233 N . CYS A 30 ? -25.97622 -3.40942 -16.64812 1.000 17.28147 N ? A ? 30 N 1
   ATOM 234 CA . CYS A 30 ? -26.87845 -2.26200 -16.77094 1.000 15.72810 C ? A ? 30 CA 1
   ATOM 235 C . CYS A 30 ? -26.50682 -1.16911 -15.75486 1.000 16.13794 C ? A ? 30 C 1
   ATOM 236 O . CYS A 30 ? -26.49467 0.01979 -16.10654 1.000 16.29024 O ? A ? 30 O 1
   ATOM 237 CB . CYS A 30 ? -28.32238 -2.75687 -16.52290 1.000 18.41106 C ? A ? 30 CB 1
   ATOM 238 SG . CYS A 30 ? -29.60069 -1.54416 -16.72784 1.000 17.90863 S ? A ? 30 SG 1
   ATOM 239 N . ALA A 31 ? -26.22901 -1.55666 -14.50072 1.000 15.77043 N ? A ? 31 N 1
   ATOM 240 CA . ALA A 31 ? -25.87649 -0.53440 -13.52062 1.000 16.49065 C ? A ? 31 CA 1
   ATOM 241 C . ALA A 31 ? -24.60974 0.19471 -13.93786 1.000 17.30749 C ? A ? 31 C 1
   ATOM 242 O . ALA A 31 ? -24.54878 1.43447 -13.86561 1.000 19.09939 O ? A ? 31 O 1
   ATOM 243 CB . ALA A 31 ? -25.69463 -1.15827 -12.13222 1.000 17.41608 C ? A ? 31 CB 1
   ATOM 244 N . ALA A 32 ? -23.59905 -0.53480 -14.42280 1.000 15.15902 N ? A ? 32 N 1
   ATOM 245 CA . ALA A 32 ? -22.35917 0.13580 -14.81923 1.000 15.37235 C ? A ? 32 CA 1
   ATOM 246 C . ALA A 32 ? -22.58044 1.06445 -16.00071 1.000 16.11374 C ? A ? 32 C 1
   ATOM 247 O . ALA A 32 ? -21.96114 2.13643 -16.08642 1.000 17.35957 O ? A ? 32 O 1
   ATOM 248 CB . ALA A 32 ? -21.29014 -0.90588 -15.14205 1.000 16.82956 C ? A ? 32 CB 1
   ATOM 249 N . LYS A 33 ? -23.39720 0.64858 -16.97032 1.000 16.60322 N ? A ? 33 N 1
   ATOM 250 CA . LYS A 33 ? -23.68548 1.51615 -18.10789 1.000 16.93109 C ? A ? 33 CA 1
   ATOM 251 C . LYS A 33 ? -24.22087 2.86974 -17.66076 1.000 17.14925 C ? A ? 33 C 1
   ATOM 252 O . LYS A 33 ? -23.75927 3.92767 -18.11417 1.000 19.49525 O ? A ? 33 O 1
   ATOM 253 CB . LYS A 33 ? -24.68587 0.80051 -19.03255 1.000 18.00303 C ? A ? 33 CB 1
   ATOM 254 CG . LYS A 33 ? -25.25270 1.69931 -20.15358 1.000 21.78552 C ? A ? 33 CG 1
   ATOM 255 CD . LYS A 33 ? -24.18641 2.03405 -21.15470 1.000 27.78381 C ? A ? 33 CD 1
   ATOM 256 CE . LYS A 33 ? -24.73163 2.97571 -22.23290 1.000 39.60698 C ? A ? 33 CE 1
   ATOM 257 NZ . LYS A 33 ? -23.67246 3.30486 -23.23367 1.000 48.41301 N ? A ? 33 NZ 1
   ATOM 258 N . PHE A 34 ? -25.21589 2.86615 -16.78116 1.000 17.02667 N ? A ? 34 N 1
   ATOM 259 CA . PHE A 34 ? -25.85499 4.11699 -16.43761 1.000 17.35541 C ? A ? 34 CA 1
   ATOM 260 C . PHE A 34 ? -25.15736 4.86139 -15.31890 1.000 18.53574 C ? A ? 34 C 1
   ATOM 261 O . PHE A 34 ? -25.33841 6.08555 -15.23253 1.000 23.65832 O ? A ? 34 O 1
   ATOM 262 CB . PHE A 34 ? -27.34231 3.90231 -16.16261 1.000 19.81252 C ? A ? 34 CB 1
   ATOM 263 CG . PHE A 34 ? -28.10518 3.47269 -17.38806 1.000 16.38036 C ? A ? 34 CG 1
   ATOM 264 CD1 . PHE A 34 ? -28.03456 4.21169 -18.55891 1.000 20.58302 C ? A ? 34 CD1 1
   ATOM 265 CD2 . PHE A 34 ? -28.83521 2.27725 -17.36906 1.000 20.39036 C ? A ? 34 CD2 1
   ATOM 266 CE1 . PHE A 34 ? -28.76578 3.78717 -19.69380 1.000 23.20303 C ? A ? 34 CE1 1
   ATOM 267 CE2 . PHE A 34 ? -29.54878 1.87139 -18.48184 1.000 23.26520 C ? A ? 34 CE2 1
   ATOM 268 CZ . PHE A 34 ? -29.51042 2.61913 -19.62625 1.000 20.68166 C ? A ? 34 CZ 1
   ATOM 269 N . GLU A 35 ? -24.36106 4.17464 -14.50490 1.000 15.41509 N ? A ? 35 N 1
   ATOM 270 CA . GLU A 35 ? -23.57582 4.90530 -13.48743 1.000 16.63194 C ? A ? 35 CA 1
   ATOM 271 C . GLU A 35 ? -22.36830 5.58582 -14.10498 1.000 18.05254 C ? A ? 35 C 1
   ATOM 272 O . GLU A 35 ? -22.03209 6.70366 -13.71864 1.000 18.62026 O ? A ? 35 O 1
   ATOM 273 CB . GLU A 35 ? -23.07960 3.94709 -12.41813 1.000 17.55115 C ? A ? 35 CB 1
   ATOM 274 CG . GLU A 35 ? -24.16882 3.41185 -11.49409 1.000 19.83380 C ? A ? 35 CG 1
   ATOM 275 CD . GLU A 35 ? -24.77416 4.47257 -10.56574 1.000 22.72867 C ? A ? 35 CD 1
   ATOM 276 OE1 . GLU A 35 ? -24.25558 5.61776 -10.47499 1.000 23.07662 O ? A ? 35 OE1 1
   ATOM 277 OE2 . GLU A 35 ? -25.83840 4.19173 -9.98983 1.000 22.27656 O ? A ? 35 OE2 1
   ATOM 278 N . SER A 36 ? -21.66745 4.93343 -15.05101 1.000 17.27841 N ? A ? 36 N 1
   ATOM 279 CA . SER A 36 ? -20.36262 5.44691 -15.48277 1.000 17.90581 C ? A ? 36 CA 1
   ATOM 280 C . SER A 36 ? -20.13130 5.41080 -16.97701 1.000 19.72920 C ? A ? 36 C 1
   ATOM 281 O . SER A 36 ? -19.01614 5.76006 -17.40800 1.000 22.31429 O ? A ? 36 O 1
   ATOM 282 CB . SER A 36 ? -19.24358 4.60946 -14.85992 1.000 18.96809 C ? A ? 36 CB 1
   ATOM 283 OG . SER A 36 ? -19.27563 3.26907 -15.37060 1.000 18.50664 O ? A ? 36 OG 1
   ATOM 284 N . ASN A 37 ? -21.11073 4.97847 -17.77534 1.000 18.50849 N ? A ? 37 N 1
   ATOM 285 CA . ASN A 37 ? -20.92015 4.74440 -19.21437 1.000 20.52417 C ? A ? 37 CA 1
   ATOM 286 C . ASN A 37 ? -19.73978 3.80245 -19.47054 1.000 21.53564 C ? A ? 37 C 1
   ATOM 287 O . ASN A 37 ? -18.98746 3.94028 -20.45321 1.000 21.74631 O ? A ? 37 O 1
   ATOM 288 CB . ASN A 37 ? -20.78948 6.06324 -19.99547 1.000 25.56546 C ? A ? 37 CB 1
   ATOM 289 CG . ASN A 37 ? -21.22793 5.92260 -21.42263 1.000 39.34332 C ? A ? 37 CG 1
   ATOM 290 OD1 . ASN A 37 ? -21.99369 5.01789 -21.76222 1.000 33.19951 O ? A ? 37 OD1 1
   ATOM 291 ND2 . ASN A 37 ? -20.73721 6.81532 -22.28423 1.000 40.33082 N ? A ? 37 ND2 1
   ATOM 292 N . PHE A 38 ? -19.52410 2.85244 -18.56377 1.000 17.19278 N ? A ? 38 N 1
   ATOM 293 CA . PHE A 38 ? -18.49068 1.82191 -18.63782 1.000 17.23342 C ? A ? 38 CA 1
   ATOM 294 C . PHE A 38 ? -17.06587 2.37671 -18.50066 1.000 19.79241 C ? A ? 38 C 1
   ATOM 295 O . PHE A 38 ? -16.10687 1.72112 -18.89374 1.000 20.15843 O ? A ? 38 O 1
   ATOM 296 CB . PHE A 38 ? -18.57620 0.99915 -19.93696 1.000 18.78045 C ? A ? 38 CB 1
   ATOM 297 CG . PHE A 38 ? -19.86263 0.23027 -20.12641 1.000 18.33627 C ? A ? 38 CG 1
   ATOM 298 CD1 . PHE A 38 ? -20.50070 -0.40238 -19.08239 1.000 18.72797 C ? A ? 38 CD1 1
   ATOM 299 CD2 . PHE A 38 ? -20.35843 0.08139 -21.40258 1.000 22.04960 C ? A ? 38 CD2 1
   ATOM 300 CE1 . PHE A 38 ? -21.63975 -1.19274 -19.32232 1.000 19.64378 C ? A ? 38 CE1 1
   ATOM 301 CE2 . PHE A 38 ? -21.48890 -0.68151 -21.65284 1.000 21.72964 C ? A ? 38 CE2 1
   ATOM 302 CZ . PHE A 38 ? -22.13158 -1.31224 -20.61354 1.000 22.13787 C ? A ? 38 CZ 1
   ATOM 303 N . ASN A 39 ? -16.90396 3.56378 -17.92111 1.000 19.65987 N ? A ? 39 N 1
   ATOM 304 CA . ASN A 39 ? -15.59346 4.22032 -17.79596 1.000 17.47892 C ? A ? 39 CA 1
   ATOM 305 C . ASN A 39 ? -15.06915 4.05881 -16.37731 1.000 16.53136 C ? A ? 39 C 1
   ATOM 306 O . ASN A 39 ? -15.68796 4.57480 -15.42790 1.000 18.99221 O ? A ? 39 O 1
   ATOM 307 CB . ASN A 39 ? -15.77813 5.69145 -18.13033 1.000 17.81759 C ? A ? 39 CB 1
   ATOM 308 CG . ASN A 39 ? -14.48052 6.48833 -18.09942 1.000 17.17159 C ? A ? 39 CG 1
   ATOM 309 OD1 . ASN A 39 ? -13.43586 5.95342 -17.87200 1.000 18.12389 O ? A ? 39 OD1 1
   ATOM 310 ND2 . ASN A 39 ? -14.59322 7.79083 -18.41376 1.000 25.75666 N ? A ? 39 ND2 1
   ATOM 311 N . THR A 40 ? -13.93211 3.37572 -16.22490 1.000 17.75260 N ? A ? 40 N 1
   ATOM 312 CA . THR A 40 ? -13.38390 3.21215 -14.88847 1.000 18.97747 C ? A ? 40 CA 1
   ATOM 313 C . THR A 40 ? -12.90714 4.53589 -14.27073 1.000 17.58985 C ? A ? 40 C 1
   ATOM 314 O . THR A 40 ? -12.80891 4.59901 -13.04438 1.000 19.85669 O ? A ? 40 O 1
   ATOM 315 CB . THR A 40 ? -12.21147 2.25203 -14.91200 1.000 19.23649 C ? A ? 40 CB 1
   ATOM 316 OG1 . THR A 40 ? -11.11658 2.83598 -15.65119 1.000 21.40284 O ? A ? 40 OG1 1
   ATOM 317 CG2 . THR A 40 ? -12.56406 0.87640 -15.47991 1.000 23.36320 C ? A ? 40 CG2 1
   ATOM 318 N . GLN A 41 ? -12.67135 5.58610 -15.07065 1.000 17.95639 N ? A ? 41 N 1
   ATOM 319 CA . GLN A 41 ? -12.17065 6.83420 -14.50682 1.000 16.71655 C ? A ? 41 CA 1
   ATOM 320 C . GLN A 41 ? -13.25327 7.82611 -14.16420 1.000 17.98799 C ? A ? 41 C 1
   ATOM 321 O . GLN A 41 ? -12.91932 8.93055 -13.71612 1.000 20.76734 O ? A ? 41 O 1
   ATOM 322 CB . GLN A 41 ? -11.18369 7.49513 -15.46231 1.000 18.09680 C ? A ? 41 CB 1
   ATOM 323 CG . GLN A 41 ? -9.98996 6.64350 -15.74415 1.000 21.05061 C ? A ? 41 CG 1
   ATOM 324 CD . GLN A 41 ? -8.88155 7.43331 -16.43361 1.000 23.34984 C ? A ? 41 CD 1
   ATOM 325 OE1 . GLN A 41 ? -8.24469 8.25949 -15.80047 1.000 26.46589 O ? A ? 41 OE1 1
   ATOM 326 NE2 . GLN A 41 ? -8.70421 7.23622 -17.71746 1.000 21.53574 N ? A ? 41 NE2 1
   ATOM 327 N . ALA A 42 ? -14.53734 7.44921 -14.23349 1.000 16.23052 N ? A ? 42 N 1
   ATOM 328 CA . ALA A 42 ? -15.60645 8.39383 -13.91481 1.000 17.46856 C ? A ? 42 CA 1
   ATOM 329 C . ALA A 42 ? -15.57485 8.82353 -12.44155 1.000 16.37291 C ? A ? 42 C 1
   ATOM 330 O . ALA A 42 ? -15.46712 8.00057 -11.52101 1.000 17.35305 O ? A ? 42 O 1
   ATOM 331 CB . ALA A 42 ? -16.96262 7.71301 -14.16141 1.000 18.57565 C ? A ? 42 CB 1
   ATOM 332 N . THR A 43 ? -15.76182 10.11849 -12.22316 1.000 16.59950 N ? A ? 43 N 1
   ATOM 333 CA . THR A 43 ? -15.95794 10.65380 -10.87374 1.000 17.19835 C ? A ? 43 CA 1
   ATOM 334 C . THR A 43 ? -17.08279 11.66472 -10.92127 1.000 19.11784 C ? A ? 43 C 1
   ATOM 335 O . THR A 43 ? -17.24238 12.39950 -11.89733 1.000 22.64483 O ? A ? 43 O 1
   ATOM 336 CB . THR A 43 ? -14.70456 11.34232 -10.31706 1.000 18.44662 C ? A ? 43 CB 1
   ATOM 337 OG1 . THR A 43 ? -14.32948 12.39585 -11.20939 1.000 21.14234 O ? A ? 43 OG1 1
   ATOM 338 CG2 . THR A 43 ? -13.51275 10.41313 -10.14287 1.000 20.29635 C ? A ? 43 CG2 1
   ATOM 339 N . ASN A 44 ? -17.85145 11.74514 -9.83867 1.000 16.85708 N ? A ? 44 N 1
   ATOM 340 CA . ASN A 44 ? -18.89078 12.76905 -9.73390 1.000 19.44508 C ? A ? 44 CA 1
   ATOM 341 C . ASN A 44 ? -19.04560 13.19378 -8.28735 1.000 17.00933 C ? A ? 44 C 1
   ATOM 342 O . ASN A 44 ? -19.10458 12.34387 -7.38272 1.000 20.13703 O ? A ? 44 O 1
   ATOM 343 CB . ASN A 44 ? -20.24141 12.23258 -10.22733 1.000 21.23859 C ? A ? 44 CB 1
   ATOM 344 CG . ASN A 44 ? -20.27291 12.04792 -11.73036 1.000 29.81888 C ? A ? 44 CG 1
   ATOM 345 OD1 . ASN A 44 ? -20.34716 13.01018 -12.49831 1.000 31.94369 O ? A ? 44 OD1 1
   ATOM 346 ND2 . ASN A 44 ? -20.23362 10.80100 -12.15967 1.000 26.79836 N ? A ? 44 ND2 1
   ATOM 347 N A ARG A 45 ? -19.14582 14.50287 -8.05682 0.586 20.82238 N ? A ? 45 N 1
   ATOM 348 CA A ARG A 45 ? -19.21934 15.02750 -6.69341 0.586 21.43987 C ? A ? 45 CA 1
   ATOM 349 C A ARG A 45 ? -20.67248 15.22033 -6.27752 0.586 21.95401 C ? A ? 45 C 1
   ATOM 350 O A ARG A 45 ? -21.48249 15.76051 -7.04061 0.586 23.36977 O ? A ? 45 O 1
   ATOM 351 CB A ARG A 45 ? -18.49809 16.37793 -6.60440 0.586 26.96592 C ? A ? 45 CB 1
   ATOM 352 CG A ARG A 45 ? -18.20235 16.81508 -5.14336 0.586 26.03220 C ? A ? 45 CG 1
   ATOM 353 CD A ARG A 45 ? -16.71906 16.74029 -4.92421 0.586 22.34252 C ? A ? 45 CD 1
   ATOM 354 NE A ARG A 45 ? -16.07902 17.74976 -5.76005 0.586 45.12775 N ? A ? 45 NE 1
   ATOM 355 CZ A ARG A 45 ? -15.79735 18.98161 -5.36230 0.586 45.81853 C ? A ? 45 CZ 1
   ATOM 356 NH1 A ARG A 45 ? -15.81561 19.31700 -4.08408 0.586 50.14373 N ? A ? 45 NH1 1
   ATOM 357 NH2 A ARG A 45 ? -15.52027 19.90852 -6.27273 0.586 45.39287 N ? A ? 45 NH2 1
   ATOM 358 N B ARG A 45 ? -19.14419 14.51139 -8.08660 0.414 21.01737 N ? A ? 45 N 1
   ATOM 359 CA B ARG A 45 ? -19.31527 15.08095 -6.75530 0.414 21.88749 C ? A ? 45 CA 1
   ATOM 360 C B ARG A 45 ? -20.77584 15.01274 -6.34085 0.414 23.20063 C ? A ? 45 C 1
   ATOM 361 O B ARG A 45 ? -21.69163 15.15172 -7.16555 0.414 23.64993 O ? A ? 45 O 1
   ATOM 362 CB B ARG A 45 ? -18.84949 16.54820 -6.72381 0.414 21.60190 C ? A ? 45 CB 1
   ATOM 363 CG B ARG A 45 ? -18.60175 17.13003 -5.30196 0.414 23.47016 C ? A ? 45 CG 1
   ATOM 364 CD B ARG A 45 ? -17.34540 18.01973 -5.28762 0.414 37.47493 C ? A ? 45 CD 1
   ATOM 365 NE B ARG A 45 ? -16.81543 18.34785 -3.96231 0.414 42.78975 N ? A ? 45 NE 1
   ATOM 366 CZ B ARG A 45 ? -16.17167 17.49525 -3.17391 0.414 24.73528 C ? A ? 45 CZ 1
   ATOM 367 NH1 B ARG A 45 ? -16.08315 16.21345 -3.47645 0.414 39.99236 N ? A ? 45 NH1 1
   ATOM 368 NH2 B ARG A 45 ? -15.61462 17.93511 -2.04156 0.414 24.07772 N ? A ? 45 NH2 1
   ATOM 369 N . ASN A 46 ? -20.99082 14.79013 -5.05571 1.000 20.90096 N ? A ? 46 N 1
   ATOM 370 CA . ASN A 46 ? -22.32497 14.87214 -4.46954 1.000 25.51787 C ? A ? 46 CA 1
   ATOM 371 C . ASN A 46 ? -22.49139 16.18678 -3.70954 1.000 23.64631 C ? A ? 46 C 1
   ATOM 372 O . ASN A 46 ? -21.52162 16.85446 -3.35324 1.000 28.31566 O ? A ? 46 O 1
   ATOM 373 CB . ASN A 46 ? -22.55902 13.69397 -3.52524 1.000 24.68943 C ? A ? 46 CB 1
   ATOM 374 CG . ASN A 46 ? -22.36815 12.35725 -4.21766 1.000 22.70611 C ? A ? 46 CG 1
   ATOM 375 OD1 . ASN A 46 ? -22.89382 12.16525 -5.29453 1.000 29.47580 O ? A ? 46 OD1 1
   ATOM 376 ND2 . ASN A 46 ? -21.60757 11.44057 -3.59901 1.000 22.08804 N ? A ? 46 ND2 1
   ATOM 377 N . THR A 47 ? -23.75995 16.53736 -3.45681 1.000 30.46979 N ? A ? 47 N 1
   ATOM 378 CA . THR A 47 ? -24.07534 17.80465 -2.79468 1.000 34.98952 C ? A ? 47 CA 1
   ATOM 379 C . THR A 47 ? -23.46925 17.89043 -1.40025 1.000 35.38534 C ? A ? 47 C 1
   ATOM 380 O . THR A 47 ? -23.05571 18.97515 -0.97091 1.000 39.35403 O ? A ? 47 O 1
   ATOM 381 CB . THR A 47 ? -25.59611 18.00025 -2.74127 1.000 37.91273 C ? A ? 47 CB 1
   ATOM 382 OG1 . THR A 47 ? -26.19333 16.96323 -1.95126 1.000 44.63762 O ? A ? 47 OG1 1
   ATOM 383 CG2 . THR A 47 ? -26.17023 17.92448 -4.13949 1.000 35.29965 C ? A ? 47 CG2 1
   ATOM 384 N . ASP A 48 ? -23.37563 16.76770 -0.69105 1.000 28.68735 N ? A ? 48 N 1
   ATOM 385 CA . ASP A 48 ? -22.82966 16.76327 0.65398 1.000 31.63445 C ? A ? 48 CA 1
   ATOM 386 C . ASP A 48 ? -21.30180 16.83846 0.68106 1.000 29.43273 C ? A ? 48 C 1
   ATOM 387 O . ASP A 48 ? -20.70777 16.87461 1.76416 1.000 33.49664 O ? A ? 48 O 1
   ATOM 388 CB . ASP A 48 ? -23.35835 15.55426 1.43482 1.000 28.05696 C ? A ? 48 CB 1
   ATOM 389 CG . ASP A 48 ? -22.78161 14.23680 0.94264 1.000 35.97140 C ? A ? 48 CG 1
   ATOM 390 OD1 . ASP A 48 ? -22.09052 14.25074 -0.08837 1.000 30.87711 O ? A ? 48 OD1 1
   ATOM 391 OD2 . ASP A 48 ? -23.00130 13.19353 1.58452 1.000 41.37598 O ? A ? 48 OD2 1
   ATOM 392 N . GLY A 49 ? -20.63611 16.86500 -0.47381 1.000 27.39140 N ? A ? 49 N 1
   ATOM 393 CA . GLY A 49 ? -19.19632 16.96664 -0.50211 1.000 26.09257 C ? A ? 49 CA 1
   ATOM 394 C . GLY A 49 ? -18.46870 15.65998 -0.72258 1.000 29.40549 C ? A ? 49 C 1
   ATOM 395 O . GLY A 49 ? -17.25728 15.67903 -0.99652 1.000 27.25529 O ? A ? 49 O 1
   ATOM 396 N . SER A 50 ? -19.16224 14.53394 -0.61404 1.000 24.59168 N ? A ? 50 N 1
   ATOM 397 CA . SER A 50 ? -18.59043 13.24756 -0.95320 1.000 19.67861 C ? A ? 50 CA 1
   ATOM 398 C . SER A 50 ? -18.52937 13.10969 -2.47639 1.000 20.14121 C ? A ? 50 C 1
   ATOM 399 O . SER A 50 ? -19.08499 13.91457 -3.20920 1.000 20.82406 O ? A ? 50 O 1
   ATOM 400 CB . SER A 50 ? -19.45348 12.13074 -0.36883 1.000 19.74419 C ? A ? 50 CB 1
   ATOM 401 OG . SER A 50 ? -20.76862 12.19983 -0.94994 1.000 22.68285 O ? A ? 50 OG 1
   ATOM 402 N . THR A 51 ? -17.77420 12.11995 -2.92582 1.000 16.67400 N ? A ? 51 N 1
   ATOM 403 CA . THR A 51 ? -17.57662 11.88309 -4.35842 1.000 15.57044 C ? A ? 51 CA 1
   ATOM 404 C . THR A 51 ? -17.82812 10.40270 -4.66417 1.000 14.94989 C ? A ? 51 C 1
   ATOM 405 O . THR A 51 ? -17.53585 9.53314 -3.84393 1.000 16.32591 O ? A ? 51 O 1
   ATOM 406 CB . THR A 51 ? -16.12477 12.23929 -4.69840 1.000 18.52430 C ? A ? 51 CB 1
   ATOM 407 OG1 . THR A 51 ? -15.88418 13.62289 -4.36660 1.000 19.84845 O ? A ? 51 OG1 1
   ATOM 408 CG2 . THR A 51 ? -15.79750 12.07978 -6.18817 1.000 17.88137 C ? A ? 51 CG2 1
   ATOM 409 N A ASP A 52 ? -18.35347 10.12189 -5.86000 0.599 16.37763 N ? A ? 52 N 1
   ATOM 410 CA A ASP A 52 ? -18.54804 8.75030 -6.33219 0.599 16.09237 C ? A ? 52 CA 1
   ATOM 411 C A ASP A 52 ? -17.50731 8.40996 -7.38382 0.599 15.32289 C ? A ? 52 C 1
   ATOM 412 O A ASP A 52 ? -17.20451 9.23357 -8.26778 0.599 16.90775 O ? A ? 52 O 1
   ATOM 413 CB A ASP A 52 ? -19.92328 8.56971 -6.95972 0.599 18.10292 C ? A ? 52 CB 1
   ATOM 414 CG A ASP A 52 ? -20.98070 9.30168 -6.21076 0.599 22.68396 C ? A ? 52 CG 1
   ATOM 415 OD1 A ASP A 52 ? -21.18664 8.97973 -5.02304 0.599 23.21262 O ? A ? 52 OD1 1
   ATOM 416 OD2 A ASP A 52 ? -21.57816 10.22301 -6.80372 0.599 30.72413 O ? A ? 52 OD2 1
   ATOM 417 N B ASP A 52 ? -18.34688 10.14759 -5.86525 0.401 16.36541 N ? A ? 52 N 1
   ATOM 418 CA B ASP A 52 ? -18.53262 8.80178 -6.39360 0.401 16.20095 C ? A ? 52 CA 1
   ATOM 419 C B ASP A 52 ? -17.38228 8.44810 -7.32693 0.401 16.25832 C ? A ? 52 C 1
   ATOM 420 O B ASP A 52 ? -16.86943 9.29748 -8.06486 0.401 17.50820 O ? A ? 52 O 1
   ATOM 421 CB B ASP A 52 ? -19.85338 8.71484 -7.15766 0.401 17.51996 C ? A ? 52 CB 1
   ATOM 422 CG B ASP A 52 ? -21.06077 8.69384 -6.23870 0.401 23.35161 C ? A ? 52 CG 1
   ATOM 423 OD1 B ASP A 52 ? -20.90078 8.56340 -5.00168 0.401 17.27312 O ? A ? 52 OD1 1
   ATOM 424 OD2 B ASP A 52 ? -22.18441 8.80699 -6.76812 0.401 20.38675 O ? A ? 52 OD2 1
   ATOM 425 N . TYR A 53 ? -16.95296 7.20172 -7.28420 1.000 16.38714 N ? A ? 53 N 1
   ATOM 426 CA . TYR A 53 ? -15.75326 6.81003 -8.01303 1.000 15.75222 C ? A ? 53 CA 1
   ATOM 427 C . TYR A 53 ? -15.92901 5.51996 -8.79093 1.000 17.51318 C ? A ? 53 C 1
   ATOM 428 O . TYR A 53 ? -16.37507 4.49303 -8.24866 1.000 18.32936 O ? A ? 53 O 1
   ATOM 429 CB . TYR A 53 ? -14.61506 6.53341 -7.02338 1.000 16.41386 C ? A ? 53 CB 1
   ATOM 430 CG . TYR A 53 ? -14.12720 7.75905 -6.28580 1.000 16.85719 C ? A ? 53 CG 1
   ATOM 431 CD1 . TYR A 53 ? -14.75053 8.17878 -5.10843 1.000 16.55217 C ? A ? 53 CD1 1
   ATOM 432 CD2 . TYR A 53 ? -13.06645 8.52158 -6.80188 1.000 17.38246 C ? A ? 53 CD2 1
   ATOM 433 CE1 . TYR A 53 ? -14.28815 9.33162 -4.42987 1.000 16.00171 C ? A ? 53 CE1 1
   ATOM 434 CE2 . TYR A 53 ? -12.63753 9.67477 -6.13755 1.000 18.49253 C ? A ? 53 CE2 1
   ATOM 435 CZ . TYR A 53 ? -13.24052 10.03430 -4.95733 1.000 17.14059 C ? A ? 53 CZ 1
   ATOM 436 OH . TYR A 53 ? -12.81675 11.18891 -4.28855 1.000 18.53406 O ? A ? 53 OH 1
   ATOM 437 N A GLY A 54 ? -15.53737 5.55681 -10.05606 0.000 15.68353 N ? A ? 54 N 1
   ATOM 438 CA A GLY A 54 ? -15.28555 4.35118 -10.81536 0.000 18.80456 C ? A ? 54 CA 1
   ATOM 439 C A GLY A 54 ? -16.46429 3.88530 -11.64234 0.000 16.14711 C ? A ? 54 C 1
   ATOM 440 O A GLY A 54 ? -17.43336 4.60575 -11.89864 0.000 17.19206 O ? A ? 54 O 1
   ATOM 441 N C GLY A 54 ? -15.53157 5.56810 -10.06221 1.000 15.71047 N ? A ? 54 N 1
   ATOM 442 CA C GLY A 54 ? -15.29899 4.37036 -10.84197 1.000 18.76613 C ? A ? 54 CA 1
   ATOM 443 C C GLY A 54 ? -16.52528 3.84705 -11.54467 1.000 15.81874 C ? A ? 54 C 1
   ATOM 444 O C GLY A 54 ? -17.55947 4.48431 -11.63747 1.000 16.90051 O ? A ? 54 O 1
   ATOM 445 N . ILE A 55 ? -16.35088 2.62422 -12.06531 1.000 17.83582 N ? A ? 55 N 1
   ATOM 446 CA . ILE A 55 ? -17.33056 2.00872 -12.95866 1.000 17.84823 C ? A ? 55 CA 1
   ATOM 447 C . ILE A 55 ? -18.67974 1.84557 -12.28506 1.000 17.13720 C ? A ? 55 C 1
   ATOM 448 O . ILE A 55 ? -19.72219 1.92786 -12.95464 1.000 18.75059 O ? A ? 55 O 1
   ATOM 449 CB . ILE A 55 ? -16.73391 0.70614 -13.52454 1.000 23.23457 C ? A ? 55 CB 1
   ATOM 450 CG1 . ILE A 55 ? -17.44547 0.29343 -14.80008 1.000 30.95556 C ? A ? 55 CG1 1
   ATOM 451 CG2 . ILE A 55 ? -16.64343 -0.39838 -12.44945 1.000 25.41070 C ? A ? 55 CG2 1
   ATOM 452 CD1 . ILE A 55 ? -16.54345 -0.32531 -15.79959 1.000 38.26593 C ? A ? 55 CD1 1
   ATOM 453 N A LEU A 56 ? -18.66997 1.64487 -10.96659 0.359 18.24725 N ? A ? 56 N 1
   ATOM 454 CA A LEU A 56 ? -19.86141 1.47032 -10.16632 0.359 16.42496 C ? A ? 56 CA 1
   ATOM 455 C A LEU A 56 ? -20.07760 2.62895 -9.19155 0.359 17.82648 C ? A ? 56 C 1
   ATOM 456 O A LEU A 56 ? -20.83914 2.48274 -8.23235 0.359 16.53106 O ? A ? 56 O 1
   ATOM 457 CB A LEU A 56 ? -19.83385 0.10756 -9.46691 0.359 18.39883 C ? A ? 56 CB 1
   ATOM 458 CG A LEU A 56 ? -19.73391 -1.12183 -10.41058 0.359 12.44769 C ? A ? 56 CG 1
   ATOM 459 CD1 A LEU A 56 ? -19.45751 -2.40499 -9.63620 0.359 16.82424 C ? A ? 56 CD1 1
   ATOM 460 CD2 A LEU A 56 ? -20.99137 -1.28783 -11.26892 0.359 22.29413 C ? A ? 56 CD2 1
   ATOM 461 N B LEU A 56 ? -18.70887 1.62849 -10.95949 0.641 18.25684 N ? A ? 56 N 1
   ATOM 462 CA B LEU A 56 ? -19.96385 1.53873 -10.23189 0.641 17.47101 C ? A ? 56 CA 1
   ATOM 463 C B LEU A 56 ? -20.21722 2.72554 -9.31209 0.641 19.21999 C ? A ? 56 C 1
   ATOM 464 O B LEU A 56 ? -21.14668 2.70005 -8.50812 0.641 18.74143 O ? A ? 56 O 1
   ATOM 465 CB B LEU A 56 ? -20.11561 0.22229 -9.46890 0.641 16.34132 C ? A ? 56 CB 1
   ATOM 466 CG B LEU A 56 ? -20.42740 -0.99921 -10.34805 0.641 18.65121 C ? A ? 56 CG 1
   ATOM 467 CD1 B LEU A 56 ? -20.21740 -2.25475 -9.55352 0.641 23.29255 C ? A ? 56 CD1 1
   ATOM 468 CD2 B LEU A 56 ? -21.83203 -0.87825 -10.83583 0.641 18.02342 C ? A ? 56 CD2 1
   ATOM 469 N . GLN A 57 ? -19.43634 3.79249 -9.43746 1.000 17.46978 N ? A ? 57 N 1
   ATOM 470 CA . GLN A 57 ? -19.78099 5.03826 -8.73407 1.000 14.99056 C ? A ? 57 CA 1
   ATOM 471 C . GLN A 57 ? -19.95768 4.82923 -7.22583 1.000 16.83347 C ? A ? 57 C 1
   ATOM 472 O . GLN A 57 ? -20.91112 5.30870 -6.60646 1.000 19.09901 O ? A ? 57 O 1
   ATOM 473 CB . GLN A 57 ? -20.96195 5.75828 -9.37297 1.000 17.12696 C ? A ? 57 CB 1
   ATOM 474 CG . GLN A 57 ? -20.62927 6.30147 -10.77075 1.000 16.14844 C ? A ? 57 CG 1
   ATOM 475 CD . GLN A 57 ? -19.67245 7.46797 -10.67550 1.000 17.69607 C ? A ? 57 CD 1
   ATOM 476 OE1 . GLN A 57 ? -20.11193 8.55873 -10.41642 1.000 19.09645 O ? A ? 57 OE1 1
   ATOM 477 NE2 . GLN A 57 ? -18.38476 7.22815 -10.87089 1.000 18.58378 N ? A ? 57 NE2 1
   ATOM 478 N . ILE A 58 ? -18.94405 4.25043 -6.62358 1.000 16.64141 N ? A ? 58 N 1
   ATOM 479 CA . ILE A 58 ? -18.96858 3.94673 -5.19515 1.000 16.45018 C ? A ? 58 CA 1
   ATOM 480 C . ILE A 58 ? -18.61386 5.21626 -4.41693 1.000 16.89225 C ? A ? 58 C 1
   ATOM 481 O . ILE A 58 ? -17.64607 5.91788 -4.75982 1.000 17.19754 O ? A ? 58 O 1
   ATOM 482 CB . ILE A 58 ? -18.02110 2.79546 -4.92856 1.000 18.88245 C ? A ? 58 CB 1
   ATOM 483 CG1 . ILE A 58 ? -18.67480 1.50676 -5.49486 1.000 19.58008 C ? A ? 58 CG1 1
   ATOM 484 CG2 . ILE A 58 ? -17.69729 2.71847 -3.39967 1.000 20.31621 C ? A ? 58 CG2 1
   ATOM 485 CD1 . ILE A 58 ? -17.73359 0.28830 -5.53219 1.000 21.83681 C ? A ? 58 CD1 1
   ATOM 486 N . ASN A 59 ? -19.42273 5.51465 -3.37447 1.000 17.93981 N ? A ? 59 N 1
   ATOM 487 CA . ASN A 59 ? -19.45295 6.79199 -2.64161 1.000 18.31013 C ? A ? 59 CA 1
   ATOM 488 C . ASN A 59 ? -18.44582 6.82638 -1.48379 1.000 18.46123 C ? A ? 59 C 1
   ATOM 489 O . ASN A 59 ? -18.37496 5.89988 -0.66196 1.000 22.15326 O ? A ? 59 O 1
   ATOM 490 CB . ASN A 59 ? -20.87968 6.96116 -2.10886 1.000 21.23641 C ? A ? 59 CB 1
   ATOM 491 CG . ASN A 59 ? -21.18410 8.35137 -1.63594 1.000 25.14868 C ? A ? 59 CG 1
   ATOM 492 OD1 . ASN A 59 ? -20.29470 9.13139 -1.34131 1.000 28.07659 O ? A ? 59 OD1 1
   ATOM 493 ND2 . ASN A 59 ? -22.47966 8.66605 -1.53369 1.000 31.91822 N ? A ? 59 ND2 1
   ATOM 494 N . SER A 60 ? -17.67613 7.92008 -1.41066 1.000 17.56033 N ? A ? 60 N 1
   ATOM 495 CA . SER A 60 ? -16.70077 8.10425 -0.33902 1.000 15.29172 C ? A ? 60 CA 1
   ATOM 496 C . SER A 60 ? -17.34784 8.40237 0.98511 1.000 19.36051 C ? A ? 60 C 1
   ATOM 497 O . SER A 60 ? -16.62413 8.36818 1.96612 1.000 21.61051 O ? A ? 60 O 1
   ATOM 498 CB . SER A 60 ? -15.75127 9.25606 -0.69832 1.000 16.70226 C ? A ? 60 CB 1
   ATOM 499 OG . SER A 60 ? -16.43943 10.49316 -0.73460 1.000 17.20774 O ? A ? 60 OG 1
   ATOM 500 N . ARG A 61 ? -18.64968 8.67580 1.03221 1.000 19.56380 N ? A ? 61 N 1
   ATOM 501 CA . ARG A 61 ? -19.32735 8.92210 2.31296 1.000 21.93915 C ? A ? 61 CA 1
   ATOM 502 C . ARG A 61 ? -19.28700 7.69715 3.19571 1.000 26.03287 C ? A ? 61 C 1
   ATOM 503 O . ARG A 61 ? -19.23070 7.82084 4.43304 1.000 23.03900 O ? A ? 61 O 1
   ATOM 504 CB . ARG A 61 ? -20.79016 9.27223 2.06351 1.000 24.91499 C ? A ? 61 CB 1
   ATOM 505 CG . ARG A 61 ? -21.69111 9.37153 3.31120 1.000 37.02364 C ? A ? 61 CG 1
   ATOM 506 CD . ARG A 61 ? -21.19362 10.42457 4.27840 1.000 39.62042 C ? A ? 61 CD 1
   ATOM 507 NE . ARG A 61 ? -21.98367 10.46030 5.50924 1.000 56.32619 N ? A ? 61 NE 1
   ATOM 508 CZ . ARG A 61 ? -21.77389 9.70162 6.58239 1.000 60.87593 C ? A ? 61 CZ 1
   ATOM 509 NH1 . ARG A 61 ? -20.82547 8.77376 6.60998 1.000 39.38840 N ? A ? 61 NH1 1
   ATOM 510 NH2 . ARG A 61 ? -22.53501 9.87923 7.66029 1.000 58.64304 N ? A ? 61 NH2 1
   ATOM 511 N . TRP A 62 ? -19.21323 6.50780 2.59182 1.000 20.54001 N ? A ? 62 N 1
   ATOM 512 CA . TRP A 62 ? -19.25726 5.27646 3.36409 1.000 21.56013 C ? A ? 62 CA 1
   ATOM 513 C . TRP A 62 ? -18.15384 4.29399 3.04408 1.000 20.45930 C ? A ? 62 C 1
   ATOM 514 O . TRP A 62 ? -17.77874 3.50816 3.90398 1.000 22.76723 O ? A ? 62 O 1
   ATOM 515 CB . TRP A 62 ? -20.57994 4.51912 3.20151 1.000 24.87111 C ? A ? 62 CB 1
   ATOM 516 CG . TRP A 62 ? -21.75763 5.33110 3.57596 1.000 25.56786 C ? A ? 62 CG 1
   ATOM 517 CD1 . TRP A 62 ? -22.62965 5.94129 2.73289 1.000 30.41320 C ? A ? 62 CD1 1
   ATOM 518 CD2 . TRP A 62 ? -22.19821 5.61950 4.89907 1.000 31.86357 C ? A ? 62 CD2 1
   ATOM 519 NE1 . TRP A 62 ? -23.59598 6.59998 3.45301 1.000 39.48370 N ? A ? 62 NE1 1
   ATOM 520 CE2 . TRP A 62 ? -23.35135 6.41578 4.78766 1.000 33.03452 C ? A ? 62 CE2 1
   ATOM 521 CE3 . TRP A 62 ? -21.72884 5.27957 6.16803 1.000 37.56885 C ? A ? 62 CE3 1
   ATOM 522 CZ2 . TRP A 62 ? -24.04868 6.88587 5.90276 1.000 48.74723 C ? A ? 62 CZ2 1
   ATOM 523 CZ3 . TRP A 62 ? -22.41546 5.74327 7.27510 1.000 53.09178 C ? A ? 62 CZ3 1
   ATOM 524 CH2 . TRP A 62 ? -23.56698 6.53995 7.13391 1.000 48.78377 C ? A ? 62 CH2 1
   ATOM 525 N . TRP A 63 ? -17.66037 4.22855 1.78721 1.000 19.71336 N ? A ? 63 N 1
   ATOM 526 CA . TRP A 63 ? -17.03898 2.99742 1.32896 1.000 18.74273 C ? A ? 63 CA 1
   ATOM 527 C . TRP A 63 ? -15.56820 3.08568 1.00768 1.000 20.36520 C ? A ? 63 C 1
   ATOM 528 O . TRP A 63 ? -14.92759 2.04769 0.94032 1.000 20.44838 O ? A ? 63 O 1
   ATOM 529 CB . TRP A 63 ? -17.73172 2.46662 0.05141 1.000 18.25627 C ? A ? 63 CB 1
   ATOM 530 CG . TRP A 63 ? -19.21478 2.29185 0.26364 1.000 18.88236 C ? A ? 63 CG 1
   ATOM 531 CD1 . TRP A 63 ? -20.22441 3.10025 -0.17156 1.000 20.72219 C ? A ? 63 CD1 1
   ATOM 532 CD2 . TRP A 63 ? -19.81477 1.26607 1.05242 1.000 19.20107 C ? A ? 63 CD2 1
   ATOM 533 NE1 . TRP A 63 ? -21.45026 2.62668 0.29624 1.000 23.70067 N ? A ? 63 NE1 1
   ATOM 534 CE2 . TRP A 63 ? -21.21029 1.50853 1.05883 1.000 20.12878 C ? A ? 63 CE2 1
   ATOM 535 CE3 . TRP A 63 ? -19.30832 0.17806 1.74868 1.000 20.46981 C ? A ? 63 CE3 1
   ATOM 536 CZ2 . TRP A 63 ? -22.11441 0.66818 1.74180 1.000 23.05215 C ? A ? 63 CZ2 1
   ATOM 537 CZ3 . TRP A 63 ? -20.22348 -0.68263 2.41480 1.000 23.64151 C ? A ? 63 CZ3 1
   ATOM 538 CH2 . TRP A 63 ? -21.60657 -0.41122 2.38991 1.000 21.73654 C ? A ? 63 CH2 1
   ATOM 539 N . CYS A 64 ? -15.01796 4.28735 0.84297 1.000 19.05660 N ? A ? 64 N 1
   ATOM 540 CA . CYS A 64 ? -13.60105 4.41840 0.54712 1.000 17.93800 C ? A ? 64 CA 1
   ATOM 541 C . CYS A 64 ? -13.09826 5.72394 1.15300 1.000 16.94241 C ? A ? 64 C 1
   ATOM 542 O . CYS A 64 ? -13.87739 6.64254 1.43277 1.000 19.35823 O ? A ? 64 O 1
   ATOM 543 CB . CYS A 64 ? -13.31654 4.34195 -0.98583 1.000 19.08341 C ? A ? 64 CB 1
   ATOM 544 SG . CYS A 64 ? -14.10781 5.62693 -2.00307 1.000 17.78278 S ? A ? 64 SG 1
   ATOM 545 N . ASN A 65 ? -11.77158 5.82321 1.24004 1.000 17.52395 N ? A ? 65 N 1
   ATOM 546 CA . ASN A 65 ? -11.13257 7.03130 1.75357 1.000 20.39451 C ? A ? 65 CA 1
   ATOM 547 C . ASN A 65 ? -10.53083 7.88196 0.64333 1.000 17.65344 C ? A ? 65 C 1
   ATOM 548 O . ASN A 65 ? -9.68412 7.39521 -0.10685 1.000 18.47014 O ? A ? 65 O 1
   ATOM 549 CB . ASN A 65 ? -10.00139 6.65420 2.70842 1.000 19.45905 C ? A ? 65 CB 1
   ATOM 550 CG . ASN A 65 ? -9.28822 7.91054 3.18009 1.000 24.90698 C ? A ? 65 CG 1
   ATOM 551 OD1 . ASN A 65 ? -9.93005 8.82184 3.68130 1.000 29.89695 O ? A ? 65 OD1 1
   ATOM 552 ND2 . ASN A 65 ? -8.00145 8.00699 2.89937 1.000 39.67166 N ? A ? 65 ND2 1
   ATOM 553 N . ASP A 66 ? -10.98556 9.14084 0.55260 1.000 16.14356 N ? A ? 66 N 1
   ATOM 554 CA . ASP A 66 ? -10.41358 10.09000 -0.40852 1.000 18.90808 C ? A ? 66 CA 1
   ATOM 555 C . ASP A 66 ? -9.77377 11.28389 0.26927 1.000 23.14684 C ? A ? 66 C 1
   ATOM 556 O . ASP A 66 ? -9.29491 12.17336 -0.43050 1.000 22.01815 O ? A ? 66 O 1
   ATOM 557 CB . ASP A 66 ? -11.41180 10.53538 -1.48630 1.000 20.08415 C ? A ? 66 CB 1
   ATOM 558 CG . ASP A 66 ? -12.58884 11.32084 -0.95728 1.000 18.34849 C ? A ? 66 CG 1
   ATOM 559 OD1 . ASP A 66 ? -12.64605 11.68492 0.24842 1.000 19.46622 O ? A ? 66 OD1 1
   ATOM 560 OD2 . ASP A 66 ? -13.45489 11.68159 -1.78579 1.000 19.37964 O ? A ? 66 OD2 1
   ATOM 561 N . GLY A 67 ? -9.72989 11.29321 1.59718 1.000 21.55413 N ? A ? 67 N 1
   ATOM 562 CA . GLY A 67 ? -9.03773 12.36821 2.30410 1.000 23.19693 C ? A ? 67 CA 1
   ATOM 563 C . GLY A 67 ? -9.72482 13.70371 2.27489 1.000 27.19012 C ? A ? 67 C 1
   ATOM 564 O . GLY A 67 ? -9.15438 14.69121 2.76137 1.000 32.62787 O ? A ? 67 O 1
   ATOM 565 N . ARG A 68 ? -10.95098 13.78567 1.77202 1.000 20.82774 N ? A ? 68 N 1
   ATOM 566 CA . ARG A 68 ? -11.63028 15.07315 1.71832 1.000 20.12254 C ? A ? 68 CA 1
   ATOM 567 C . ARG A 68 ? -13.12100 14.95254 1.97919 1.000 21.96123 C ? A ? 68 C 1
   ATOM 568 O . ARG A 68 ? -13.90023 15.77818 1.49673 1.000 28.91643 O ? A ? 68 O 1
   ATOM 569 CB . ARG A 68 ? -11.35980 15.80290 0.40699 1.000 23.12051 C ? A ? 68 CB 1
   ATOM 570 CG . ARG A 68 ? -11.92010 15.09025 -0.79756 1.000 22.35370 C ? A ? 68 CG 1
   ATOM 571 CD . ARG A 68 ? -12.00789 16.07157 -1.94632 1.000 26.28654 C ? A ? 68 CD 1
   ATOM 572 NE . ARG A 68 ? -12.97983 15.65792 -2.94180 1.000 28.12926 N ? A ? 68 NE 1
   ATOM 573 CZ . ARG A 68 ? -12.96567 16.12559 -4.18546 1.000 36.08870 C ? A ? 68 CZ 1
   ATOM 574 NH1 . ARG A 68 ? -12.06591 17.01799 -4.56353 1.000 36.40215 N ? A ? 68 NH1 1
   ATOM 575 NH2 . ARG A 68 ? -13.85932 15.67766 -5.07114 1.000 36.92063 N ? A ? 68 NH2 1
   ATOM 576 N . THR A 69 ? -13.54729 13.91448 2.70587 1.000 23.69666 N ? A ? 69 N 1
   ATOM 577 CA . THR A 69 ? -14.95567 13.72490 3.04668 1.000 21.85137 C ? A ? 69 CA 1
   ATOM 578 C . THR A 69 ? -15.01945 13.61471 4.56642 1.000 22.26107 C ? A ? 69 C 1
   ATOM 579 O . THR A 69 ? -15.09237 12.51368 5.10899 1.000 25.25733 O ? A ? 69 O 1
   ATOM 580 CB . THR A 69 ? -15.56245 12.49099 2.35528 1.000 23.51306 C ? A ? 69 CB 1
   ATOM 581 OG1 . THR A 69 ? -15.22311 12.49986 0.94446 1.000 21.65923 O ? A ? 69 OG1 1
   ATOM 582 CG2 . THR A 69 ? -17.08298 12.57427 2.44724 1.000 21.67536 C ? A ? 69 CG2 1
   ATOM 583 N . PRO A 70 ? -14.89469 14.73129 5.28671 1.000 22.91017 N ? A ? 70 N 1
   ATOM 584 CA . PRO A 70 ? -14.85375 14.66500 6.75716 1.000 25.27938 C ? A ? 70 CA 1
   ATOM 585 C . PRO A 70 ? -16.02722 13.91492 7.36423 1.000 25.02297 C ? A ? 70 C 1
   ATOM 586 O . PRO A 70 ? -17.17661 14.09094 6.97004 1.000 28.87284 O ? A ? 70 O 1
   ATOM 587 CB . PRO A 70 ? -14.88926 16.14041 7.16762 1.000 29.19493 C ? A ? 70 CB 1
   ATOM 588 CG . PRO A 70 ? -14.37116 16.89950 5.99079 1.000 34.27919 C ? A ? 70 CG 1
   ATOM 589 CD . PRO A 70 ? -14.79702 16.10316 4.77241 1.000 29.56998 C ? A ? 70 CD 1
   ATOM 590 N . GLY A 71 ? -15.72036 13.08043 8.36575 1.000 26.29381 N ? A ? 71 N 1
   ATOM 591 CA . GLY A 71 ? -16.75598 12.37407 9.08655 1.000 36.12632 C ? A ? 71 CA 1
   ATOM 592 C . GLY A 71 ? -17.27564 11.16975 8.34806 1.000 30.74386 C ? A ? 71 C 1
   ATOM 593 O . GLY A 71 ? -18.30241 10.60220 8.74053 1.000 33.92204 O ? A ? 71 O 1
   ATOM 594 N . SER A 72 ? -16.59085 10.75390 7.29040 1.000 27.83624 N ? A ? 72 N 1
   ATOM 595 CA . SER A 72 ? -17.07000 9.64038 6.49156 1.000 24.69911 C ? A ? 72 CA 1
   ATOM 596 C . SER A 72 ? -16.42397 8.34410 6.96613 1.000 33.95309 C ? A ? 72 C 1
   ATOM 597 O . SER A 72 ? -15.49838 8.34523 7.78634 1.000 31.42151 O ? A ? 72 O 1
   ATOM 598 CB . SER A 72 ? -16.74112 9.91799 5.03166 1.000 22.24457 C ? A ? 72 CB 1
   ATOM 599 OG . SER A 72 ? -15.36098 9.75911 4.80642 1.000 24.71740 O ? A ? 72 OG 1
   ATOM 600 N . ARG A 73 ? -16.93786 7.22458 6.45851 1.000 24.12728 N ? A ? 73 N 1
   ATOM 601 CA . ARG A 73 ? -16.38392 5.89924 6.72302 1.000 25.43922 C ? A ? 73 CA 1
   ATOM 602 C . ARG A 73 ? -15.58345 5.35937 5.53126 1.000 26.84973 C ? A ? 73 C 1
   ATOM 603 O . ARG A 73 ? -15.56590 5.92006 4.43782 1.000 25.53335 O ? A ? 73 O 1
   ATOM 604 CB . ARG A 73 ? -17.51798 4.92728 7.07857 1.000 25.28180 C ? A ? 73 CB 1
   ATOM 605 CG . ARG A 73 ? -18.28331 5.31740 8.31918 1.000 36.43576 C ? A ? 73 CG 1
   ATOM 606 CD . ARG A 73 ? -17.86676 4.49270 9.50432 1.000 48.56805 C ? A ? 73 CD 1
   ATOM 607 NE . ARG A 73 ? -18.88926 3.49662 9.81124 1.000 69.07662 N ? A ? 73 NE 1
   ATOM 608 CZ . ARG A 73 ? -18.73305 2.47683 10.64625 1.000 61.99397 C ? A ? 73 CZ 1
   ATOM 609 NH1 . ARG A 73 ? -17.58878 2.27039 11.27954 1.000 62.30994 N ? A ? 73 NH1 1
   ATOM 610 NH2 . ARG A 73 ? -19.74815 1.63619 10.84092 1.000 54.92622 N ? A ? 73 NH2 1
   ATOM 611 N . ASN A 74 ? -14.86854 4.29280 5.75252 1.000 23.59915 N ? A ? 74 N 1
   ATOM 612 CA . ASN A 74 ? -14.08348 3.61886 4.72056 1.000 23.52743 C ? A ? 74 CA 1
   ATOM 613 C . ASN A 74 ? -14.36084 2.10982 4.83476 1.000 20.82386 C ? A ? 74 C 1
   ATOM 614 O . ASN A 74 ? -13.48615 1.31718 5.17984 1.000 23.99036 O ? A ? 74 O 1
   ATOM 615 CB . ASN A 74 ? -12.60751 3.95874 4.89352 1.000 22.06460 C ? A ? 74 CB 1
   ATOM 616 CG . ASN A 74 ? -11.73619 3.32232 3.86162 1.000 25.62624 C ? A ? 74 CG 1
   ATOM 617 OD1 . ASN A 74 ? -12.23271 2.74186 2.88154 1.000 26.10383 O ? A ? 74 OD1 1
   ATOM 618 ND2 . ASN A 74 ? -10.41252 3.39565 4.06042 1.000 27.98496 N ? A ? 74 ND2 1
   ATOM 619 N . LEU A 75 ? -15.60392 1.71100 4.54435 1.000 21.14108 N ? A ? 75 N 1
   ATOM 620 CA . LEU A 75 ? -16.00184 0.33229 4.87293 1.000 23.92152 C ? A ? 75 CA 1
   ATOM 621 C . LEU A 75 ? -15.33817 -0.70258 3.97455 1.000 23.60963 C ? A ? 75 C 1
   ATOM 622 O . LEU A 75 ? -15.30705 -1.89398 4.31096 1.000 28.23271 O ? A ? 75 O 1
   ATOM 623 CB . LEU A 75 ? -17.52350 0.18239 4.87113 1.000 24.87186 C ? A ? 75 CB 1
   ATOM 624 CG . LEU A 75 ? -18.31214 0.88000 5.98473 1.000 27.58463 C ? A ? 75 CG 1
   ATOM 625 CD1 . LEU A 75 ? -19.77913 0.68351 5.79634 1.000 31.67689 C ? A ? 75 CD1 1
   ATOM 626 CD2 . LEU A 75 ? -17.86296 0.37911 7.36231 1.000 33.77801 C ? A ? 75 CD2 1
   ATOM 627 N . CYS A 76 ? -14.85086 -0.31056 2.80056 1.000 22.78840 N ? A ? 76 N 1
   ATOM 628 CA . CYS A 76 ? -14.15746 -1.24316 1.93845 1.000 22.54513 C ? A ? 76 CA 1
   ATOM 629 C . CYS A 76 ? -12.66511 -1.24464 2.17133 1.000 21.44120 C ? A ? 76 C 1
   ATOM 630 O . CYS A 76 ? -11.94616 -2.02892 1.53209 1.000 24.17345 O ? A ? 76 O 1
   ATOM 631 CB . CYS A 76 ? -14.46698 -0.93734 0.45226 1.000 22.01959 C ? A ? 76 CB 1
   ATOM 632 SG . CYS A 76 ? -16.18694 -1.44432 0.07013 1.000 21.86718 S ? A ? 76 SG 1
   ATOM 633 N . ASN A 77 ? -12.18601 -0.35939 3.05495 1.000 23.09186 N ? A ? 77 N 1
   ATOM 634 CA . ASN A 77 ? -10.77752 -0.30932 3.46068 1.000 26.27592 C ? A ? 77 CA 1
   ATOM 635 C . ASN A 77 ? -9.83547 -0.09901 2.28021 1.000 27.06225 C ? A ? 77 C 1
   ATOM 636 O . ASN A 77 ? -8.84332 -0.81703 2.09173 1.000 28.51898 O ? A ? 77 O 1
   ATOM 637 CB . ASN A 77 ? -10.38650 -1.55819 4.26050 1.000 30.63012 C ? A ? 77 CB 1
   ATOM 638 CG . ASN A 77 ? -11.13441 -1.66979 5.58070 1.000 48.67217 C ? A ? 77 CG 1
   ATOM 639 OD1 . ASN A 77 ? -11.22697 -0.70461 6.34655 1.000 59.16318 O ? A ? 77 OD1 1
   ATOM 640 ND2 . ASN A 77 ? -11.66321 -2.85963 5.85931 1.000 53.57547 N ? A ? 77 ND2 1
   ATOM 641 N . ILE A 78 ? -10.15437 0.91433 1.47480 1.000 24.22605 N ? A ? 78 N 1
   ATOM 642 CA . ILE A 78 ? -9.38827 1.20115 0.27908 1.000 23.08924 C ? A ? 78 CA 1
   ATOM 643 C . ILE A 78 ? -9.36459 2.70013 0.00850 1.000 20.14301 C ? A ? 78 C 1
   ATOM 644 O . ILE A 78 ? -10.32026 3.42224 0.32505 1.000 19.61885 O ? A ? 78 O 1
   ATOM 645 CB . ILE A 78 ? -9.99714 0.52443 -0.96787 1.000 24.58913 C ? A ? 78 CB 1
   ATOM 646 CG1 . ILE A 78 ? -11.49936 0.77210 -1.05189 1.000 22.17734 C ? A ? 78 CG1 1
   ATOM 647 CG2 . ILE A 78 ? -9.57878 -0.95902 -1.08910 1.000 33.89859 C ? A ? 78 CG2 1
   ATOM 648 CD1 . ILE A 78 ? -12.01069 0.58515 -2.46220 1.000 30.73713 C ? A ? 78 CD1 1
   ATOM 649 N . PRO A 79 ? -8.28404 3.20151 -0.58704 1.000 21.45388 N ? A ? 79 N 1
   ATOM 650 CA . PRO A 79 ? -8.32077 4.55780 -1.13925 1.000 21.33639 C ? A ? 79 CA 1
   ATOM 651 C . PRO A 79 ? -9.30360 4.56985 -2.30545 1.000 18.68466 C ? A ? 79 C 1
   ATOM 652 O . PRO A 79 ? -9.35587 3.62483 -3.10371 1.000 20.55733 O ? A ? 79 O 1
   ATOM 653 CB . PRO A 79 ? -6.88429 4.78842 -1.61789 1.000 21.22232 C ? A ? 79 CB 1
   ATOM 654 CG . PRO A 79 ? -6.29957 3.41552 -1.76968 1.000 30.93003 C ? A ? 79 CG 1
   ATOM 655 CD . PRO A 79 ? -7.00419 2.50817 -0.81571 1.000 23.37832 C ? A ? 79 CD 1
   ATOM 656 N . CYS A 80 ? -10.08029 5.65155 -2.39853 1.000 18.86876 N ? A ? 80 N 1
   ATOM 657 CA . CYS A 80 ? -11.02682 5.74729 -3.50422 1.000 15.66270 C ? A ? 80 CA 1
   ATOM 658 C . CYS A 80 ? -10.33870 5.66386 -4.86437 1.000 19.37438 C ? A ? 80 C 1
   ATOM 659 O . CYS A 80 ? -10.96711 5.22104 -5.84644 1.000 19.99917 O ? A ? 80 O 1
   ATOM 660 CB . CYS A 80 ? -11.81910 7.04694 -3.42981 1.000 17.64859 C ? A ? 80 CB 1
   ATOM 661 SG . CYS A 80 ? -12.81129 7.18569 -1.89935 1.000 17.10175 S ? A ? 80 SG 1
   ATOM 662 N . SER A 81 ? -9.07679 6.13080 -4.97212 1.000 20.62800 N ? A ? 81 N 1
   ATOM 663 CA . SER A 81 ? -8.37025 6.05324 -6.26035 1.000 21.46186 C ? A ? 81 CA 1
   ATOM 664 C . SER A 81 ? -8.20105 4.62446 -6.77587 1.000 22.23084 C ? A ? 81 C 1
   ATOM 665 O . SER A 81 ? -8.08429 4.40813 -7.99240 1.000 22.27080 O ? A ? 81 O 1
   ATOM 666 CB . SER A 81 ? -6.99509 6.72818 -6.16499 1.000 23.10719 C ? A ? 81 CB 1
   ATOM 667 OG . SER A 81 ? -6.23509 6.07061 -5.15327 1.000 28.11152 O ? A ? 81 OG 1
   ATOM 668 N . ALA A 82 ? -8.15830 3.63168 -5.88798 1.000 21.44464 N ? A ? 82 N 1
   ATOM 669 CA . ALA A 82 ? -8.10071 2.24683 -6.34034 1.000 23.56441 C ? A ? 82 CA 1
   ATOM 670 C . ALA A 82 ? -9.31938 1.87036 -7.16855 1.000 22.63116 C ? A ? 82 C 1
   ATOM 671 O . ALA A 82 ? -9.26076 0.92333 -7.96227 1.000 26.45469 O ? A ? 82 O 1
   ATOM 672 CB . ALA A 82 ? -8.06064 1.30249 -5.13199 1.000 24.37599 C ? A ? 82 CB 1
   ATOM 673 N . LEU A 83 ? -10.45292 2.52400 -6.94024 1.000 19.72125 N ? A ? 83 N 1
   ATOM 674 CA . LEU A 83 ? -11.65286 2.26481 -7.73161 1.000 19.85816 C ? A ? 83 CA 1
   ATOM 675 C . LEU A 83 ? -11.60067 2.80957 -9.14698 1.000 22.74526 C ? A ? 83 C 1
   ATOM 676 O . LEU A 83 ? -12.56395 2.59377 -9.89931 1.000 23.84881 O ? A ? 83 O 1
   ATOM 677 CB . LEU A 83 ? -12.87995 2.85192 -7.03465 1.000 20.73444 C ? A ? 83 CB 1
   ATOM 678 CG . LEU A 83 ? -13.07647 2.34873 -5.62541 1.000 19.34988 C ? A ? 83 CG 1
   ATOM 679 CD1 . LEU A 83 ? -14.24693 3.07038 -4.96534 1.000 22.53054 C ? A ? 83 CD1 1
   ATOM 680 CD2 . LEU A 83 ? -13.30869 0.82645 -5.67136 1.000 27.72060 C ? A ? 83 CD2 1
   ATOM 681 N . LEU A 84 ? -10.55360 3.54609 -9.53419 1.000 19.61801 N ? A ? 84 N 1
   ATOM 682 CA . LEU A 84 ? -10.47017 4.09159 -10.88027 1.000 20.75752 C ? A ? 84 CA 1
   ATOM 683 C . LEU A 84 ? -9.58102 3.25455 -11.77320 1.000 23.41267 C ? A ? 84 C 1
   ATOM 684 O . LEU A 84 ? -9.40060 3.59328 -12.95754 1.000 27.78587 O ? A ? 84 O 1
   ATOM 685 CB . LEU A 84 ? -9.97753 5.55259 -10.84320 1.000 19.43288 C ? A ? 84 CB 1
   ATOM 686 CG . LEU A 84 ? -10.80420 6.43817 -9.91021 1.000 22.21937 C ? A ? 84 CG 1
   ATOM 687 CD1 . LEU A 84 ? -10.18548 7.80515 -9.83070 1.000 33.25923 C ? A ? 84 CD1 1
   ATOM 688 CD2 . LEU A 84 ? -12.27832 6.59192 -10.37092 1.000 21.55923 C ? A ? 84 CD2 1
   ATOM 689 N . SER A 85 ? -9.04937 2.16609 -11.24073 1.000 22.80167 N ? A ? 85 N 1
   ATOM 690 CA . SER A 85 ? -8.10965 1.32185 -11.97952 1.000 24.26432 C ? A ? 85 CA 1
   ATOM 691 C . SER A 85 ? -8.75677 0.66991 -13.20346 1.000 28.03091 C ? A ? 85 C 1
   ATOM 692 O . SER A 85 ? -9.95906 0.40751 -13.23681 1.000 26.84513 O ? A ? 85 O 1
   ATOM 693 CB . SER A 85 ? -7.58563 0.24272 -11.03108 1.000 25.52837 C ? A ? 85 CB 1
   ATOM 694 OG . SER A 85 ? -6.69937 -0.63331 -11.70386 1.000 32.41882 O ? A ? 85 OG 1
   ATOM 695 N . SER A 86 ? -7.93842 0.38021 -14.22385 1.000 26.66233 N ? A ? 86 N 1
   ATOM 696 CA . SER A 86 ? -8.42906 -0.42041 -15.33893 1.000 25.01713 C ? A ? 86 CA 1
   ATOM 697 C . SER A 86 ? -8.75445 -1.85418 -14.93557 1.000 22.28961 C ? A ? 86 C 1
   ATOM 698 O . SER A 86 ? -9.53916 -2.51315 -15.63355 1.000 29.69610 O ? A ? 86 O 1
   ATOM 699 CB . SER A 86 ? -7.37910 -0.42702 -16.46094 1.000 30.09322 C ? A ? 86 CB 1
   ATOM 700 OG . SER A 86 ? -6.14570 -0.91648 -15.94051 1.000 36.04489 O ? A ? 86 OG 1
   ATOM 701 N . ASP A 87 ? -8.16247 -2.35120 -13.84705 1.000 26.34390 N ? A ? 87 N 1
   ATOM 702 CA . ASP A 87 ? -8.45693 -3.64853 -13.24713 1.000 22.89299 C ? A ? 87 CA 1
   ATOM 703 C . ASP A 87 ? -9.63377 -3.43644 -12.30250 1.000 29.16228 C ? A ? 87 C 1
   ATOM 704 O . ASP A 87 ? -9.51537 -2.68475 -11.33568 1.000 28.40852 O ? A ? 87 O 1
   ATOM 705 CB . ASP A 87 ? -7.22040 -4.03856 -12.43064 1.000 31.34243 C ? A ? 87 CB 1
   ATOM 706 CG . ASP A 87 ? -7.31609 -5.42197 -11.77073 1.000 45.71617 C ? A ? 87 CG 1
   ATOM 707 OD1 . ASP A 87 ? -8.41383 -5.90965 -11.45157 1.000 34.73515 O ? A ? 87 OD1 1
   ATOM 708 OD2 . ASP A 87 ? -6.24924 -6.04369 -11.56960 1.000 46.88467 O ? A ? 87 OD2 1
   ATOM 709 N . ILE A 88 ? -10.76192 -4.08669 -12.57772 1.000 22.32431 N ? A ? 88 N 1
   ATOM 710 CA . ILE A 88 ? -11.98067 -3.80355 -11.81159 1.000 21.07061 C ? A ? 88 CA 1
   ATOM 711 C . ILE A 88 ? -12.07401 -4.54059 -10.49420 1.000 22.73016 C ? A ? 88 C 1
   ATOM 712 O . ILE A 88 ? -13.10201 -4.43163 -9.82311 1.000 22.15207 O ? A ? 88 O 1
   ATOM 713 CB . ILE A 88 ? -13.26257 -4.06043 -12.62816 1.000 21.33939 C ? A ? 88 CB 1
   ATOM 714 CG1 . ILE A 88 ? -13.42811 -5.56285 -12.96044 1.000 26.81399 C ? A ? 88 CG1 1
   ATOM 715 CG2 . ILE A 88 ? -13.30572 -3.19963 -13.87681 1.000 26.41996 C ? A ? 88 CG2 1
   ATOM 716 CD1 . ILE A 88 ? -14.83978 -5.91878 -13.49627 1.000 30.07040 C ? A ? 88 CD1 1
   ATOM 717 N . THR A 89 ? -11.03511 -5.27543 -10.09954 1.000 22.29545 N ? A ? 89 N 1
   ATOM 718 CA . THR A 89 ? -11.12916 -6.12890 -8.91256 1.000 21.53291 C ? A ? 89 CA 1
   ATOM 719 C . THR A 89 ? -11.58034 -5.34888 -7.67744 1.000 23.41389 C ? A ? 89 C 1
   ATOM 720 O . THR A 89 ? -12.48813 -5.78435 -6.96415 1.000 24.59127 O ? A ? 89 O 1
   ATOM 721 CB . THR A 89 ? -9.80030 -6.85735 -8.64277 1.000 26.91397 C ? A ? 89 CB 1
   ATOM 722 OG1 . THR A 89 ? -9.48951 -7.68170 -9.76440 1.000 28.70336 O ? A ? 89 OG1 1
   ATOM 723 CG2 . THR A 89 ? -9.94280 -7.77703 -7.47088 1.000 30.18587 C ? A ? 89 CG2 1
   ATOM 724 N . ALA A 90 ? -10.95263 -4.20530 -7.39027 1.000 21.15105 N ? A ? 90 N 1
   ATOM 725 CA . ALA A 90 ? -11.29702 -3.49400 -6.15791 1.000 21.54792 C ? A ? 90 CA 1
   ATOM 726 C . ALA A 90 ? -12.73998 -3.02053 -6.18781 1.000 20.87820 C ? A ? 90 C 1
   ATOM 727 O . ALA A 90 ? -13.44329 -3.05307 -5.16584 1.000 22.69267 O ? A ? 90 O 1
   ATOM 728 CB . ALA A 90 ? -10.34695 -2.30786 -5.93981 1.000 23.22508 C ? A ? 90 CB 1
   ATOM 729 N . SER A 91 ? -13.19633 -2.54448 -7.34468 1.000 19.62012 N ? A ? 91 N 1
   ATOM 730 CA . SER A 91 ? -14.57775 -2.10963 -7.44744 1.000 18.44886 C ? A ? 91 CA 1
   ATOM 731 C . SER A 91 ? -15.53634 -3.26802 -7.25406 1.000 20.67017 C ? A ? 91 C 1
   ATOM 732 O . SER A 91 ? -16.55148 -3.11223 -6.57595 1.000 21.31741 O ? A ? 91 O 1
   ATOM 733 CB . SER A 91 ? -14.83360 -1.51165 -8.81637 1.000 20.07607 C ? A ? 91 CB 1
   ATOM 734 OG . SER A 91 ? -14.32657 -0.17629 -8.93986 1.000 21.22791 O ? A ? 91 OG 1
   ATOM 735 N . VAL A 92 ? -15.24098 -4.43813 -7.84698 1.000 20.39091 N ? A ? 92 N 1
   ATOM 736 CA . VAL A 92 ? -16.14531 -5.58593 -7.67692 1.000 20.11599 C ? A ? 92 CA 1
   ATOM 737 C . VAL A 92 ? -16.16089 -6.05743 -6.23175 1.000 23.52682 C ? A ? 92 C 1
   ATOM 738 O . VAL A 92 ? -17.23093 -6.34158 -5.66360 1.000 20.67559 O ? A ? 92 O 1
   ATOM 739 CB . VAL A 92 ? -15.74459 -6.72211 -8.63687 1.000 22.90896 C ? A ? 92 CB 1
   ATOM 740 CG1 . VAL A 92 ? -16.41440 -8.06854 -8.20832 1.000 28.21275 C ? A ? 92 CG1 1
   ATOM 741 CG2 . VAL A 92 ? -16.08044 -6.36146 -10.05700 1.000 28.07897 C ? A ? 92 CG2 1
   ATOM 742 N . ASN A 93 ? -14.98671 -6.12338 -5.59040 1.000 19.48212 N ? A ? 93 N 1
   ATOM 743 CA . ASN A 93 ? -14.95566 -6.61566 -4.21562 1.000 22.09812 C ? A ? 93 CA 1
   ATOM 744 C . ASN A 93 ? -15.67587 -5.66587 -3.26580 1.000 22.35664 C ? A ? 93 C 1
   ATOM 745 O . ASN A 93 ? -16.34408 -6.09810 -2.31914 1.000 22.00596 O ? A ? 93 O 1
   ATOM 746 CB . ASN A 93 ? -13.51639 -6.86508 -3.76435 1.000 26.62503 C ? A ? 93 CB 1
   ATOM 747 CG . ASN A 93 ? -12.93320 -8.12338 -4.39908 1.000 37.41788 C ? A ? 93 CG 1
   ATOM 748 OD1 . ASN A 93 ? -13.66448 -8.96531 -4.90889 1.000 42.54060 O ? A ? 93 OD1 1
   ATOM 749 ND2 . ASN A 93 ? -11.61141 -8.23000 -4.39689 1.000 46.02997 N ? A ? 93 ND2 1
   ATOM 750 N . CYS A 94 ? -15.56943 -4.35399 -3.50736 1.000 19.26738 N ? A ? 94 N 1
   ATOM 751 CA . CYS A 94 ? -16.32791 -3.42047 -2.69474 1.000 19.21616 C ? A ? 94 CA 1
   ATOM 752 C . CYS A 94 ? -17.82314 -3.50766 -2.99197 1.000 20.29119 C ? A ? 94 C 1
   ATOM 753 O . CYS A 94 ? -18.62889 -3.47221 -2.06751 1.000 19.25949 O ? A ? 94 O 1
   ATOM 754 CB . CYS A 94 ? -15.75763 -1.99645 -2.87836 1.000 20.01718 C ? A ? 94 CB 1
   ATOM 755 SG . CYS A 94 ? -16.46815 -0.74767 -1.81530 1.000 22.12811 S ? A ? 94 SG 1
   ATOM 756 N . ALA A 95 ? -18.20625 -3.63984 -4.25911 1.000 18.51029 N ? A ? 95 N 1
   ATOM 757 CA . ALA A 95 ? -19.61538 -3.77446 -4.61776 1.000 18.95088 C ? A ? 95 CA 1
   ATOM 758 C . ALA A 95 ? -20.25548 -4.99593 -3.93993 1.000 21.40310 C ? A ? 95 C 1
   ATOM 759 O . ALA A 95 ? -21.44717 -4.95039 -3.59344 1.000 19.33163 O ? A ? 95 O 1
   ATOM 760 CB . ALA A 95 ? -19.72817 -3.88883 -6.14228 1.000 18.97402 C ? A ? 95 CB 1
   ATOM 761 N . LYS A 96 ? -19.48931 -6.09454 -3.75155 1.000 19.55810 N ? A ? 96 N 1
   ATOM 762 CA . LYS A 96 ? -20.03804 -7.26105 -3.06056 1.000 19.63287 C ? A ? 96 CA 1
   ATOM 763 C . LYS A 96 ? -20.40504 -6.91674 -1.63153 1.000 19.91392 C ? A ? 96 C 1
   ATOM 764 O . LYS A 96 ? -21.39630 -7.44012 -1.09763 1.000 22.54184 O ? A ? 96 O 1
   ATOM 765 CB . LYS A 96 ? -19.02833 -8.41385 -3.09485 1.000 20.92977 C ? A ? 96 CB 1
   ATOM 766 CG . LYS A 96 ? -18.88007 -9.03026 -4.46369 1.000 20.15922 C ? A ? 96 CG 1
   ATOM 767 CD . LYS A 96 ? -17.85461 -10.16429 -4.43114 1.000 26.73608 C ? A ? 96 CD 1
   ATOM 768 CE . LYS A 96 ? -17.82158 -10.83980 -5.80213 1.000 28.75634 C ? A ? 96 CE 1
   ATOM 769 NZ . LYS A 96 ? -16.68299 -11.80361 -5.86142 1.000 36.06546 N ? A ? 96 NZ 1
   ATOM 770 N . LYS A 97 ? -19.60212 -6.06274 -0.97591 1.000 21.34836 N ? A ? 97 N 1
   ATOM 771 CA . LYS A 97 ? -19.94318 -5.64141 0.37304 1.000 18.74156 C ? A ? 97 CA 1
   ATOM 772 C . LYS A 97 ? -21.17614 -4.74934 0.37435 1.000 21.65181 C ? A ? 97 C 1
   ATOM 773 O . LYS A 97 ? -22.04660 -4.86385 1.24578 1.000 23.75600 O ? A ? 97 O 1
   ATOM 774 CB . LYS A 97 ? -18.74680 -4.89873 0.98756 1.000 21.82404 C ? A ? 97 CB 1
   ATOM 775 CG . LYS A 97 ? -17.59008 -5.79168 1.30318 1.000 38.22852 C ? A ? 97 CG 1
   ATOM 776 CD . LYS A 97 ? -17.08131 -5.47047 2.71432 1.000 53.98391 C ? A ? 97 CD 1
   ATOM 777 CE . LYS A 97 ? -15.78570 -6.19616 3.02106 1.000 59.14743 C ? A ? 97 CE 1
   ATOM 778 NZ . LYS A 97 ? -14.71043 -5.77619 2.07054 1.000 54.87888 N ? A ? 97 NZ 1
   ATOM 779 N . ILE A 98 ? -21.27980 -3.84389 -0.60117 1.000 18.51424 N ? A ? 98 N 1
   ATOM 780 CA . ILE A 98 ? -22.41539 -2.92893 -0.63022 1.000 17.78374 C ? A ? 98 CA 1
   ATOM 781 C . ILE A 98 ? -23.72276 -3.69378 -0.80498 1.000 19.60235 C ? A ? 98 C 1
   ATOM 782 O . ILE A 98 ? -24.71348 -3.42170 -0.11468 1.000 21.85187 O ? A ? 98 O 1
   ATOM 783 CB . ILE A 98 ? -22.19812 -1.89689 -1.75335 1.000 19.52339 C ? A ? 98 CB 1
   ATOM 784 CG1 . ILE A 98 ? -20.98157 -1.02883 -1.41539 1.000 18.97679 C ? A ? 98 CG1 1
   ATOM 785 CG2 . ILE A 98 ? -23.42730 -0.97703 -1.88779 1.000 22.07252 C ? A ? 98 CG2 1
   ATOM 786 CD1 . ILE A 98 ? -20.61650 -0.08725 -2.58507 1.000 22.13184 C ? A ? 98 CD1 1
   ATOM 787 N . VAL A 99 ? -23.75483 -4.60757 -1.77663 1.000 18.72201 N ? A ? 99 N 1
   ATOM 788 CA . VAL A 99 ? -24.99345 -5.28372 -2.12844 1.000 19.27900 C ? A ? 99 CA 1
   ATOM 789 C . VAL A 99 ? -25.41964 -6.22757 -1.02752 1.000 22.94967 C ? A ? 99 C 1
   ATOM 790 O . VAL A 99 ? -26.59815 -6.58327 -0.96685 1.000 24.76362 O ? A ? 99 O 1
   ATOM 791 CB . VAL A 99 ? -24.84225 -5.95080 -3.51839 1.000 18.96008 C ? A ? 99 CB 1
   ATOM 792 CG1 . VAL A 99 ? -24.01565 -7.25364 -3.41060 1.000 19.58670 C ? A ? 99 CG1 1
   ATOM 793 CG2 . VAL A 99 ? -26.23132 -6.24598 -4.16556 1.000 26.08164 C ? A ? 99 CG2 1
   ATOM 794 N . SER A 100 ? -24.50235 -6.60655 -0.13965 1.000 21.47350 N ? A ? 100 N 1
   ATOM 795 CA . SER A 100 ? -24.78424 -7.50289 0.97930 1.000 27.22697 C ? A ? 100 CA 1
   ATOM 796 C . SER A 100 ? -25.28693 -6.77961 2.21360 1.000 31.70641 C ? A ? 100 C 1
   ATOM 797 O . SER A 100 ? -25.55325 -7.43391 3.23155 1.000 31.54114 O ? A ? 100 O 1
   ATOM 798 CB . SER A 100 ? -23.50856 -8.24770 1.36229 1.000 25.82053 C ? A ? 100 CB 1
   ATOM 799 OG . SER A 100 ? -23.02481 -9.01960 0.30691 1.000 30.97516 O ? A ? 100 OG 1
   ATOM 800 N . ASP A 101 ? -25.38809 -5.45934 2.17797 1.000 26.05411 N ? A ? 101 N 1
   ATOM 801 CA . ASP A 101 ? -25.56275 -4.72276 3.41538 1.000 26.64999 C ? A ? 101 CA 1
   ATOM 802 C . ASP A 101 ? -27.02171 -4.57920 3.80828 1.000 36.67088 C ? A ? 101 C 1
   ATOM 803 O . ASP A 101 ? -27.31873 -3.90181 4.79097 1.000 35.29225 O ? A ? 101 O 1
   ATOM 804 CB . ASP A 101 ? -24.87445 -3.36992 3.33747 1.000 25.56436 C ? A ? 101 CB 1
   ATOM 805 CG . ASP A 101 ? -25.65478 -2.34653 2.53451 1.000 34.96031 C ? A ? 101 CG 1
   ATOM 806 OD1 . ASP A 101 ? -26.76039 -2.63465 1.98893 1.000 34.89126 O ? A ? 101 OD1 1
   ATOM 807 OD2 . ASP A 101 ? -25.14503 -1.21122 2.44268 1.000 36.47563 O ? A ? 101 OD2 1
   ATOM 808 N . GLY A 102 ? -27.93845 -5.15793 3.03114 1.000 27.30408 N ? A ? 102 N 1
   ATOM 809 CA . GLY A 102 ? -29.35044 -5.19699 3.36748 1.000 30.08983 C ? A ? 102 CA 1
   ATOM 810 C . GLY A 102 ? -30.25583 -4.59827 2.30844 1.000 27.63361 C ? A ? 102 C 1
   ATOM 811 O . GLY A 102 ? -31.42233 -5.00064 2.21155 1.000 27.46262 O ? A ? 102 O 1
   ATOM 812 N . ASN A 103 ? -29.75117 -3.63162 1.51854 1.000 25.26307 N ? A ? 103 N 1
   ATOM 813 CA . ASN A 103 ? -30.58308 -2.93412 0.54215 1.000 21.31043 C ? A ? 103 CA 1
   ATOM 814 C . ASN A 103 ? -30.38709 -3.42102 -0.88345 1.000 17.02487 C ? A ? 103 C 1
   ATOM 815 O . ASN A 103 ? -31.02579 -2.87032 -1.80096 1.000 20.58465 O ? A ? 103 O 1
   ATOM 816 CB . ASN A 103 ? -30.31809 -1.43204 0.61352 1.000 34.51500 C ? A ? 103 CB 1
   ATOM 817 CG . ASN A 103 ? -30.85778 -0.82231 1.87707 1.000 49.59890 C ? A ? 103 CG 1
   ATOM 818 OD1 . ASN A 103 ? -31.79271 -1.35321 2.47452 1.000 41.50652 O ? A ? 103 OD1 1
   ATOM 819 ND2 . ASN A 103 ? -30.28477 0.29787 2.29139 1.000 62.61239 N ? A ? 103 ND2 1
   ATOM 820 N . GLY A 104 ? -29.54502 -4.40601 -1.08899 1.000 18.22640 N ? A ? 104 N 1
   ATOM 821 CA . GLY A 104 ? -29.38722 -5.02345 -2.39655 1.000 18.87170 C ? A ? 104 CA 1
   ATOM 822 C . GLY A 104 ? -28.85283 -4.00018 -3.36574 1.000 18.78553 C ? A ? 104 C 1
   ATOM 823 O . GLY A 104 ? -28.09011 -3.09157 -2.99829 1.000 20.77240 O ? A ? 104 O 1
   ATOM 824 N . MET A 105 ? -29.33556 -4.07874 -4.58316 1.000 16.51617 N ? A ? 105 N 1
   ATOM 825 CA . MET A 105 ? -28.82966 -3.14632 -5.61099 1.000 15.47711 C ? A ? 105 CA 1
   ATOM 826 C . MET A 105 ? -29.54150 -1.81223 -5.57060 1.000 17.60513 C ? A ? 105 C 1
   ATOM 827 O . MET A 105 ? -29.17116 -0.90087 -6.32134 1.000 16.60006 O ? A ? 105 O 1
   ATOM 828 CB . MET A 105 ? -28.85746 -3.78806 -7.00184 1.000 15.04100 C ? A ? 105 CB 1
   ATOM 829 CG . MET A 105 ? -27.77234 -4.84290 -7.17569 1.000 15.57445 C ? A ? 105 CG 1
   ATOM 830 SD . MET A 105 ? -27.53019 -5.29683 -8.94418 1.000 19.65325 S ? A ? 105 SD 1
   ATOM 831 CE . MET A 105 ? -26.62936 -3.86769 -9.56001 1.000 19.16004 C ? A ? 105 CE 1
   ATOM 832 N . ASN A 106 ? -30.49671 -1.62942 -4.65051 1.000 16.89296 N ? A ? 106 N 1
   ATOM 833 CA . ASN A 106 ? -31.12259 -0.31839 -4.54006 1.000 17.43767 C ? A ? 106 CA 1
   ATOM 834 C . ASN A 106 ? -30.12909 0.74430 -4.09136 1.000 18.80287 C ? A ? 106 C 1
   ATOM 835 O . ASN A 106 ? -30.43017 1.92953 -4.24386 1.000 20.75676 O ? A ? 106 O 1
   ATOM 836 CB . ASN A 106 ? -32.31429 -0.38906 -3.58178 1.000 18.76448 C ? A ? 106 CB 1
   ATOM 837 CG . ASN A 106 ? -33.42463 -1.21284 -4.13076 1.000 19.13987 C ? A ? 106 CG 1
   ATOM 838 OD1 . ASN A 106 ? -34.03801 -0.89541 -5.15142 1.000 20.78042 O ? A ? 106 OD1 1
   ATOM 839 ND2 . ASN A 106 ? -33.67550 -2.32130 -3.47847 1.000 21.87506 N ? A ? 106 ND2 1
   ATOM 840 N A ALA A 107 ? -28.95007 0.35886 -3.60104 0.425 17.54595 N ? A ? 107 N 1
   ATOM 841 CA A ALA A 107 ? -27.92847 1.35402 -3.26023 0.425 19.17354 C ? A ? 107 CA 1
   ATOM 842 C A ALA A 107 ? -27.33069 2.06798 -4.47952 0.425 21.49480 C ? A ? 107 C 1
   ATOM 843 O A ALA A 107 ? -26.55282 3.01631 -4.30867 0.425 16.72630 O ? A ? 107 O 1
   ATOM 844 CB A ALA A 107 ? -26.83788 0.68454 -2.42745 0.425 21.74637 C ? A ? 107 CB 1
   ATOM 845 N B ALA A 107 ? -28.96453 0.34280 -3.56935 0.575 17.48579 N ? A ? 107 N 1
   ATOM 846 CA B ALA A 107 ? -27.88413 1.29860 -3.28991 0.575 19.28232 C ? A ? 107 CA 1
   ATOM 847 C B ALA A 107 ? -27.57069 2.19008 -4.49219 0.575 19.82042 C ? A ? 107 C 1
   ATOM 848 O B ALA A 107 ? -27.21227 3.37013 -4.33074 0.575 19.92950 O ? A ? 107 O 1
   ATOM 849 CB B ALA A 107 ? -26.62938 0.50257 -2.91726 0.575 17.13748 C ? A ? 107 CB 1
   ATOM 850 N . TRP A 108 ? -27.64249 1.63769 -5.69261 1.000 17.35121 N ? A ? 108 N 1
   ATOM 851 CA . TRP A 108 ? -27.25956 2.32691 -6.92237 1.000 16.79301 C ? A ? 108 CA 1
   ATOM 852 C . TRP A 108 ? -28.51520 2.95171 -7.49476 1.000 18.61458 C ? A ? 108 C 1
   ATOM 853 O . TRP A 108 ? -29.38903 2.23753 -8.00676 1.000 18.27335 O ? A ? 108 O 1
   ATOM 854 CB . TRP A 108 ? -26.64762 1.35356 -7.93513 1.000 17.03273 C ? A ? 108 CB 1
   ATOM 855 CG . TRP A 108 ? -25.26056 0.95006 -7.53749 1.000 15.99879 C ? A ? 108 CG 1
   ATOM 856 CD1 . TRP A 108 ? -24.13857 1.70141 -7.73775 1.000 21.02846 C ? A ? 108 CD1 1
   ATOM 857 CD2 . TRP A 108 ? -24.83727 -0.21699 -6.81681 1.000 15.38924 C ? A ? 108 CD2 1
   ATOM 858 NE1 . TRP A 108 ? -23.03842 1.02883 -7.25093 1.000 20.13803 N ? A ? 108 NE1 1
   ATOM 859 CE2 . TRP A 108 ? -23.45321 -0.13597 -6.65467 1.000 18.42503 C ? A ? 108 CE2 1
   ATOM 860 CE3 . TRP A 108 ? -25.49889 -1.35590 -6.33660 1.000 17.44677 C ? A ? 108 CE3 1
   ATOM 861 CZ2 . TRP A 108 ? -22.70351 -1.11119 -6.00616 1.000 19.02024 C ? A ? 108 CZ2 1
   ATOM 862 CZ3 . TRP A 108 ? -24.74887 -2.33489 -5.68215 1.000 21.19183 C ? A ? 108 CZ3 1
   ATOM 863 CH2 . TRP A 108 ? -23.36087 -2.21635 -5.53194 1.000 19.60082 C ? A ? 108 CH2 1
   ATOM 864 N . VAL A 109 ? -28.58660 4.29344 -7.44252 1.000 19.43008 N ? A ? 109 N 1
   ATOM 865 CA . VAL A 109 ? -29.78583 5.00668 -7.86298 1.000 21.62243 C ? A ? 109 CA 1
   ATOM 866 C . VAL A 109 ? -30.09105 4.74515 -9.33653 1.000 18.67112 C ? A ? 109 C 1
   ATOM 867 O . VAL A 109 ? -31.26478 4.54422 -9.70496 1.000 19.57276 O ? A ? 109 O 1
   ATOM 868 CB . VAL A 109 ? -29.64513 6.51519 -7.54922 1.000 21.96632 C ? A ? 109 CB 1
   ATOM 869 CG1 . VAL A 109 ? -28.50728 7.10482 -8.35491 1.000 33.43679 C ? A ? 109 CG1 1
   ATOM 870 CG2 . VAL A 109 ? -30.97062 7.25400 -7.85525 1.000 25.43554 C ? A ? 109 CG2 1
   ATOM 871 N . ALA A 110 ? -29.06005 4.65508 -10.18645 1.000 18.45104 N ? A ? 110 N 1
   ATOM 872 CA . ALA A 110 ? -29.35329 4.42532 -11.59168 1.000 17.40497 C ? A ? 110 CA 1
   ATOM 873 C . ALA A 110 ? -29.87455 3.01313 -11.82078 1.000 20.65990 C ? A ? 110 C 1
   ATOM 874 O . ALA A 110 ? -30.67919 2.79751 -12.72692 1.000 19.88675 O ? A ? 110 O 1
   ATOM 875 CB . ALA A 110 ? -28.14772 4.73690 -12.48569 1.000 20.88474 C ? A ? 110 CB 1
   ATOM 876 N . TRP A 111 ? -29.44278 2.03720 -11.01418 1.000 17.56551 N ? A ? 111 N 1
   ATOM 877 CA . TRP A 111 ? -30.03236 0.70724 -11.13827 1.000 17.02100 C ? A ? 111 CA 1
   ATOM 878 C . TRP A 111 ? -31.50929 0.73350 -10.79539 1.000 19.32072 C ? A ? 111 C 1
   ATOM 879 O . TRP A 111 ? -32.34118 0.19124 -11.53146 1.000 18.98228 O ? A ? 111 O 1
   ATOM 880 CB . TRP A 111 ? -29.27560 -0.32934 -10.27072 1.000 16.80500 C ? A ? 111 CB 1
   ATOM 881 CG . TRP A 111 ? -29.89667 -1.68533 -10.37836 1.000 15.97985 C ? A ? 111 CG 1
   ATOM 882 CD1 . TRP A 111 ? -29.64981 -2.63289 -11.35945 1.000 18.97012 C ? A ? 111 CD1 1
   ATOM 883 CD2 . TRP A 111 ? -30.91426 -2.24753 -9.53510 1.000 15.94419 C ? A ? 111 CD2 1
   ATOM 884 NE1 . TRP A 111 ? -30.46411 -3.72411 -11.15494 1.000 17.02078 N ? A ? 111 NE1 1
   ATOM 885 CE2 . TRP A 111 ? -31.24827 -3.51688 -10.05848 1.000 16.31594 C ? A ? 111 CE2 1
   ATOM 886 CE3 . TRP A 111 ? -31.58301 -1.79756 -8.36228 1.000 18.16828 C ? A ? 111 CE3 1
   ATOM 887 CZ2 . TRP A 111 ? -32.20833 -4.35158 -9.46123 1.000 17.46609 C ? A ? 111 CZ2 1
   ATOM 888 CZ3 . TRP A 111 ? -32.50815 -2.62655 -7.76432 1.000 19.88140 C ? A ? 111 CZ3 1
   ATOM 889 CH2 . TRP A 111 ? -32.81605 -3.89654 -8.30806 1.000 19.38621 C ? A ? 111 CH2 1
   ATOM 890 N . ARG A 112 ? -31.86471 1.37090 -9.67831 1.000 17.57995 N ? A ? 112 N 1
   ATOM 891 CA . ARG A 112 ? -33.26899 1.42648 -9.28287 1.000 19.61513 C ? A ? 112 CA 1
   ATOM 892 C . ARG A 112 ? -34.10324 2.11275 -10.35126 1.000 18.81335 C ? A ? 112 C 1
   ATOM 893 O . ARG A 112 ? -35.22471 1.66796 -10.66194 1.000 20.59604 O ? A ? 112 O 1
   ATOM 894 CB . ARG A 112 ? -33.36621 2.22024 -7.97494 1.000 25.05545 C ? A ? 112 CB 1
   ATOM 895 CG . ARG A 112 ? -34.64304 2.04320 -7.21037 1.000 34.73951 C ? A ? 112 CG 1
   ATOM 896 CD . ARG A 112 ? -34.39186 2.55681 -5.77113 1.000 41.75928 C ? A ? 112 CD 1
   ATOM 897 NE . ARG A 112 ? -34.31313 4.01208 -5.76007 1.000 55.92827 N ? A ? 112 NE 1
   ATOM 898 CZ . ARG A 112 ? -33.30974 4.73511 -5.28497 1.000 52.92927 C ? A ? 112 CZ 1
   ATOM 899 NH1 . ARG A 112 ? -32.26696 4.17114 -4.68819 1.000 48.78483 N ? A ? 112 NH1 1
   ATOM 900 NH2 . ARG A 112 ? -33.36291 6.06434 -5.39605 1.000 43.86983 N ? A ? 112 NH2 1
   ATOM 901 N . ASN A 113 ? -33.55789 3.16726 -10.95548 1.000 18.04536 N ? A ? 113 N 1
   ATOM 902 CA . ASN A 113 ? -34.40020 3.98527 -11.83139 1.000 17.92758 C ? A ? 113 CA 1
   ATOM 903 C . ASN A 113 ? -34.38545 3.56932 -13.27937 1.000 21.09581 C ? A ? 113 C 1
   ATOM 904 O . ASN A 113 ? -35.32615 3.91882 -14.00722 1.000 22.04409 O ? A ? 113 O 1
   ATOM 905 CB . ASN A 113 ? -34.01122 5.46030 -11.71317 1.000 18.25866 C ? A ? 113 CB 1
   ATOM 906 CG . ASN A 113 ? -34.44974 6.06526 -10.39275 1.000 20.62005 C ? A ? 113 CG 1
   ATOM 907 OD1 . ASN A 113 ? -35.48222 5.69413 -9.81835 1.000 24.84679 O ? A ? 113 OD1 1
   ATOM 908 ND2 . ASN A 113 ? -33.67542 7.01815 -9.91905 1.000 20.89657 N ? A ? 113 ND2 1
   ATOM 909 N . ARG A 114 ? -33.39455 2.79142 -13.70470 1.000 18.61828 N ? A ? 114 N 1
   ATOM 910 CA . ARG A 114 ? -33.22856 2.50647 -15.11781 1.000 19.47457 C ? A ? 114 CA 1
   ATOM 911 C . ARG A 114 ? -33.05590 1.03788 -15.41800 1.000 22.00314 C ? A ? 114 C 1
   ATOM 912 O . ARG A 114 ? -33.16768 0.66477 -16.59739 1.000 23.27248 O ? A ? 114 O 1
   ATOM 913 CB . ARG A 114 ? -32.04264 3.26979 -15.69397 1.000 18.93781 C ? A ? 114 CB 1
   ATOM 914 CG . ARG A 114 ? -32.25276 4.78696 -15.38434 1.000 23.01191 C ? A ? 114 CG 1
   ATOM 915 CD . ARG A 114 ? -31.14191 5.60289 -15.90277 1.000 23.79046 C ? A ? 114 CD 1
   ATOM 916 NE . ARG A 114 ? -31.22575 5.71696 -17.35114 1.000 21.46651 N ? A ? 114 NE 1
   ATOM 917 CZ . ARG A 114 ? -30.40840 6.49873 -18.03309 1.000 23.29133 C ? A ? 114 CZ 1
   ATOM 918 NH1 . ARG A 114 ? -29.44988 7.17525 -17.42184 1.000 22.21497 N ? A ? 114 NH1 1
   ATOM 919 NH2 . ARG A 114 ? -30.55590 6.58772 -19.35242 1.000 25.25011 N ? A ? 114 NH2 1
   ATOM 920 N . CYS A 115 ? -32.80570 0.19135 -14.40001 1.000 17.13459 N ? A ? 115 N 1
   ATOM 921 CA . CYS A 115 ? -32.57018 -1.23289 -14.66461 1.000 16.94707 C ? A ? 115 CA 1
   ATOM 922 C . CYS A 115 ? -33.59534 -2.11258 -13.99444 1.000 17.43051 C ? A ? 115 C 1
   ATOM 923 O . CYS A 115 ? -34.08649 -3.07793 -14.61960 1.000 21.99890 O ? A ? 115 O 1
   ATOM 924 CB . CYS A 115 ? -31.19998 -1.67307 -14.14345 1.000 15.81001 C ? A ? 115 CB 1
   ATOM 925 SG . CYS A 115 ? -29.82469 -0.70395 -14.91027 1.000 17.89126 S ? A ? 115 SG 1
   ATOM 926 N . LYS A 116 ? -33.93669 -1.80819 -12.73425 1.000 18.68313 N ? A ? 116 N 1
   ATOM 927 CA . LYS A 116 ? -34.88148 -2.61254 -11.96846 1.000 17.75369 C ? A ? 116 CA 1
   ATOM 928 C . LYS A 116 ? -36.18885 -2.75261 -12.72448 1.000 21.65445 C ? A ? 116 C 1
   ATOM 929 O . LYS A 116 ? -36.76719 -1.75481 -13.17391 1.000 21.60950 O ? A ? 116 O 1
   ATOM 930 CB . LYS A 116 ? -35.14628 -1.86666 -10.66031 1.000 19.68894 C ? A ? 116 CB 1
   ATOM 931 CG . LYS A 116 ? -35.92817 -2.68964 -9.65190 1.000 18.78273 C ? A ? 116 CG 1
   ATOM 932 CD . LYS A 116 ? -36.15348 -1.86765 -8.37422 1.000 19.96310 C ? A ? 116 CD 1
   ATOM 933 CE . LYS A 116 ? -36.76980 -2.73605 -7.23777 1.000 23.28519 C ? A ? 116 CE 1
   ATOM 934 NZ . LYS A 116 ? -36.74193 -1.96185 -5.90838 1.000 24.38158 N ? A ? 116 NZ 1
   ATOM 935 N . GLY A 117 ? -36.62632 -4.00323 -12.88402 1.000 24.90270 N ? A ? 117 N 1
   ATOM 936 CA . GLY A 117 ? -37.90972 -4.25996 -13.53107 1.000 26.59426 C ? A ? 117 CA 1
   ATOM 937 C . GLY A 117 ? -37.86581 -4.22342 -15.04294 1.000 31.67027 C ? A ? 117 C 1
   ATOM 938 O . GLY A 117 ? -38.91919 -4.25489 -15.69966 1.000 33.02428 O ? A ? 117 O 1
   ATOM 939 N . THR A 118 ? -36.69082 -4.13373 -15.62662 1.000 25.59226 N ? A ? 118 N 1
   ATOM 940 CA . THR A 118 ? -36.55733 -4.18005 -17.07066 1.000 25.03862 C ? A ? 118 CA 1
   ATOM 941 C . THR A 118 ? -35.94845 -5.52327 -17.43535 1.000 23.35636 C ? A ? 118 C 1
   ATOM 942 O . THR A 118 ? -35.58003 -6.33015 -16.56997 1.000 26.11889 O ? A ? 118 O 1
   ATOM 943 CB . THR A 118 ? -35.67154 -3.04557 -17.59632 1.000 26.19712 C ? A ? 118 CB 1
   ATOM 944 OG1 . THR A 118 ? -34.29672 -3.32534 -17.26564 1.000 24.03347 O ? A ? 118 OG1 1
   ATOM 945 CG2 . THR A 118 ? -36.06551 -1.68452 -16.98829 1.000 25.31916 C ? A ? 118 CG2 1
   ATOM 946 N . ASP A 119 ? -35.89677 -5.79120 -18.74060 1.000 26.71618 N ? A ? 119 N 1
   ATOM 947 CA . ASP A 119 ? -35.29151 -7.02683 -19.23576 1.000 24.98347 C ? A ? 119 CA 1
   ATOM 948 C . ASP A 119 ? -33.77597 -6.86226 -19.22680 1.000 28.49100 C ? A ? 119 C 1
   ATOM 949 O . ASP A 119 ? -33.14270 -6.55774 -20.23273 1.000 30.02785 O ? A ? 119 O 1
   ATOM 950 CB . ASP A 119 ? -35.79565 -7.33471 -20.63788 1.000 34.46760 C ? A ? 119 CB 1
   ATOM 951 CG . ASP A 119 ? -35.13995 -8.57632 -21.23683 1.000 43.72873 C ? A ? 119 CG 1
   ATOM 952 OD1 . ASP A 119 ? -34.49958 -9.35898 -20.48801 1.000 42.78518 O ? A ? 119 OD1 1
   ATOM 953 OD2 . ASP A 119 ? -35.26914 -8.76133 -22.46704 1.000 45.13341 O ? A ? 119 OD2 1
   ATOM 954 N . VAL A 120 ? -33.18040 -7.07266 -18.05151 1.000 27.80490 N ? A ? 120 N 1
   ATOM 955 CA . VAL A 120 ? -31.73590 -6.84170 -17.93716 1.000 23.96470 C ? A ? 120 CA 1
   ATOM 956 C . VAL A 120 ? -30.90838 -7.88327 -18.69742 1.000 25.83150 C ? A ? 120 C 1
   ATOM 957 O . VAL A 120 ? -29.71590 -7.65446 -18.98138 1.000 24.64149 O ? A ? 120 O 1
   ATOM 958 CB . VAL A 120 ? -31.30408 -6.72135 -16.46026 1.000 22.13441 C ? A ? 120 CB 1
   ATOM 959 CG1 . VAL A 120 ? -31.98310 -5.53473 -15.77682 1.000 27.13661 C ? A ? 120 CG1 1
   ATOM 960 CG2 . VAL A 120 ? -31.65884 -7.96335 -15.69581 1.000 23.44166 C ? A ? 120 CG2 1
   ATOM 961 N . GLN A 121 ? -31.49643 -9.03674 -19.04132 1.000 25.92413 N ? A ? 121 N 1
   ATOM 962 CA . GLN A 121 ? -30.75388 -10.02135 -19.81783 1.000 25.09783 C ? A ? 121 CA 1
   ATOM 963 C . GLN A 121 ? -30.33066 -9.45897 -21.17419 1.000 27.89131 C ? A ? 121 C 1
   ATOM 964 O . GLN A 121 ? -29.31509 -9.90192 -21.73783 1.000 27.01885 O ? A ? 121 O 1
   ATOM 965 CB . GLN A 121 ? -31.60559 -11.30774 -19.93557 1.000 29.59263 C ? A ? 121 CB 1
   ATOM 966 CG . GLN A 121 ? -30.87136 -12.52297 -20.48388 1.000 49.72619 C ? A ? 121 CG 1
   ATOM 967 CD . GLN A 121 ? -30.73405 -12.51267 -22.00518 1.000 70.87215 C ? A ? 121 CD 1
   ATOM 968 OE1 . GLN A 121 ? -31.68253 -12.19295 -22.73320 1.000 67.30916 O ? A ? 121 OE1 1
   ATOM 969 NE2 . GLN A 121 ? -29.54185 -12.85781 -22.49071 1.000 63.82120 N ? A ? 121 NE2 1
   ATOM 970 N . ALA A 122 ? -31.03960 -8.44989 -21.68632 1.000 24.53932 N ? A ? 122 N 1
   ATOM 971 CA . ALA A 122 ? -30.64809 -7.82828 -22.94567 1.000 25.21610 C ? A ? 122 CA 1
   ATOM 972 C . ALA A 122 ? -29.21727 -7.29617 -22.88861 1.000 25.13334 C ? A ? 122 C 1
   ATOM 973 O . ALA A 122 ? -28.53963 -7.22751 -23.91698 1.000 26.60523 O ? A ? 122 O 1
   ATOM 974 CB . ALA A 122 ? -31.61493 -6.70236 -23.31304 1.000 33.56852 C ? A ? 122 CB 1
   ATOM 975 N . TRP A 123 ? -28.73661 -6.92641 -21.68291 1.000 25.05438 N ? A ? 123 N 1
   ATOM 976 CA . TRP A 123 ? -27.41099 -6.33198 -21.57409 1.000 24.61187 C ? A ? 123 CA 1
   ATOM 977 C . TRP A 123 ? -26.28941 -7.33065 -21.78719 1.000 21.90064 C ? A ? 123 C 1
   ATOM 978 O . TRP A 123 ? -25.14762 -6.91554 -22.03917 1.000 26.45684 O ? A ? 123 O 1
   ATOM 979 CB . TRP A 123 ? -27.23458 -5.64572 -20.20545 1.000 20.68194 C ? A ? 123 CB 1
   ATOM 980 CG . TRP A 123 ? -28.04650 -4.40966 -20.15311 1.000 21.55133 C ? A ? 123 CG 1
   ATOM 981 CD1 . TRP A 123 ? -29.27874 -4.27082 -19.61348 1.000 26.19616 C ? A ? 123 CD1 1
   ATOM 982 CD2 . TRP A 123 ? -27.69641 -3.14818 -20.70919 1.000 21.27134 C ? A ? 123 CD2 1
   ATOM 983 NE1 . TRP A 123 ? -29.72990 -2.97823 -19.80462 1.000 25.61916 N ? A ? 123 NE1 1
   ATOM 984 CE2 . TRP A 123 ? -28.77314 -2.27036 -20.46728 1.000 24.40205 C ? A ? 123 CE2 1
   ATOM 985 CE3 . TRP A 123 ? -26.57416 -2.67564 -21.39023 1.000 23.57652 C ? A ? 123 CE3 1
   ATOM 986 CZ2 . TRP A 123 ? -28.74467 -0.93658 -20.86978 1.000 28.09936 C ? A ? 123 CZ2 1
   ATOM 987 CZ3 . TRP A 123 ? -26.55054 -1.36021 -21.81603 1.000 31.46871 C ? A ? 123 CZ3 1
   ATOM 988 CH2 . TRP A 123 ? -27.63914 -0.50819 -21.55767 1.000 30.08282 C ? A ? 123 CH2 1
   ATOM 989 N . ILE A 124 ? -26.57195 -8.63234 -21.74066 1.000 22.90550 N ? A ? 124 N 1
   ATOM 990 CA . ILE A 124 ? -25.54403 -9.63638 -21.99749 1.000 22.21929 C ? A ? 124 CA 1
   ATOM 991 C . ILE A 124 ? -25.81563 -10.44159 -23.26201 1.000 24.23153 C ? A ? 124 C 1
   ATOM 992 O . ILE A 124 ? -25.04925 -11.37120 -23.56741 1.000 26.12173 O ? A ? 124 O 1
   ATOM 993 CB . ILE A 124 ? -25.26953 -10.55003 -20.79191 1.000 24.78767 C ? A ? 124 CB 1
   ATOM 994 CG1 . ILE A 124 ? -26.54825 -11.25158 -20.33736 1.000 28.14072 C ? A ? 124 CG1 1
   ATOM 995 CG2 . ILE A 124 ? -24.64391 -9.72306 -19.58676 1.000 25.00278 C ? A ? 124 CG2 1
   ATOM 996 CD1 . ILE A 124 ? -26.28299 -12.38081 -19.31854 1.000 36.93220 C ? A ? 124 CD1 1
   ATOM 997 N . ARG A 125 ? -26.85630 -10.09754 -24.00827 1.000 24.32997 N ? A ? 125 N 1
   ATOM 998 CA . ARG A 125 ? -27.19654 -10.81364 -25.24077 1.000 28.05561 C ? A ? 125 CA 1
   ATOM 999 C . ARG A 125 ? -26.05074 -10.73947 -26.23964 1.000 24.53649 C ? A ? 125 C 1
   ATOM 1000 O . ARG A 125 ? -25.46660 -9.67323 -26.46734 1.000 30.19474 O ? A ? 125 O 1
   ATOM 1001 CB . ARG A 125 ? -28.45517 -10.17827 -25.84047 1.000 38.28015 C ? A ? 125 CB 1
   ATOM 1002 CG . ARG A 125 ? -29.36018 -11.10086 -26.64792 1.000 49.87775 C ? A ? 125 CG 1
   ATOM 1003 CD . ARG A 125 ? -30.74078 -10.46179 -26.90150 1.000 63.92943 C ? A ? 125 CD 1
   ATOM 1004 NE . ARG A 125 ? -31.65225 -10.54774 -25.75885 1.000 74.72905 N ? A ? 125 NE 1
   ATOM 1005 CZ . ARG A 125 ? -32.74155 -9.80024 -25.60402 1.000 74.10041 C ? A ? 125 CZ 1
   ATOM 1006 NH1 . ARG A 125 ? -33.07236 -8.86634 -26.48368 1.000 71.31878 N ? A ? 125 NH1 1
   ATOM 1007 NH2 . ARG A 125 ? -33.51430 -9.98874 -24.53508 1.000 64.49993 N ? A ? 125 NH2 1
   ATOM 1008 N A GLY A 126 ? -25.73028 -11.89638 -26.84597 0.516 28.60584 N ? A ? 126 N 1
   ATOM 1009 CA A GLY A 126 ? -24.69611 -12.00900 -27.85479 0.516 32.04142 C ? A ? 126 CA 1
   ATOM 1010 C A GLY A 126 ? -23.29480 -12.20643 -27.31765 0.516 31.88180 C ? A ? 126 C 1
   ATOM 1011 O A GLY A 126 ? -22.38991 -12.57593 -28.08100 0.516 29.09183 O ? A ? 126 O 1
   ATOM 1012 N B GLY A 126 ? -25.73341 -11.88132 -26.84917 0.484 28.60083 N ? A ? 126 N 1
   ATOM 1013 CA B GLY A 126 ? -24.69803 -11.90667 -27.85814 0.484 32.08234 C ? A ? 126 CA 1
   ATOM 1014 C B GLY A 126 ? -23.29348 -11.74437 -27.33009 0.484 32.06823 C ? A ? 126 C 1
   ATOM 1015 O B GLY A 126 ? -22.38983 -11.39913 -28.10227 0.484 35.58079 O ? A ? 126 O 1
   ATOM 1016 N . CYS A 127 ? -23.07777 -11.97375 -26.03225 1.000 30.05371 N ? A ? 127 N 1
   ATOM 1017 CA . CYS A 127 ? -21.73469 -12.01721 -25.46999 1.000 27.52416 C ? A ? 127 CA 1
   ATOM 1018 C . CYS A 127 ? -21.30548 -13.46457 -25.30208 1.000 31.48676 C ? A ? 127 C 1
   ATOM 1019 O . CYS A 127 ? -22.10784 -14.32782 -24.92861 1.000 29.89992 O ? A ? 127 O 1
   ATOM 1020 CB . CYS A 127 ? -21.69858 -11.33282 -24.10452 1.000 27.29639 C ? A ? 127 CB 1
   ATOM 1021 SG . CYS A 127 ? -22.24798 -9.58901 -24.17439 1.000 27.89030 S ? A ? 127 SG 1
   ATOM 1022 N . ARG A 128 ? -20.02514 -13.72285 -25.55621 1.000 34.81801 N ? A ? 128 N 1
   ATOM 1023 CA . ARG A 128 ? -19.48231 -15.05251 -25.34564 1.000 39.00763 C ? A ? 128 CA 1
   ATOM 1024 C . ARG A 128 ? -19.10766 -15.16134 -23.87765 1.000 39.87583 C ? A ? 128 C 1
   ATOM 1025 O . ARG A 128 ? -18.20503 -14.45521 -23.40185 1.000 54.21725 O ? A ? 128 O 1
   ATOM 1026 CB . ARG A 128 ? -18.27486 -15.25778 -26.25270 1.000 39.79271 C ? A ? 128 CB 1
   ATOM 1027 CG . ARG A 128 ? -18.14496 -16.65477 -26.79592 1.000 51.04950 C ? A ? 128 CG 1
   ATOM 1028 CD . ARG A 128 ? -17.01539 -16.74048 -27.81262 1.000 45.74510 C ? A ? 128 CD 1
   ATOM 1029 NE . ARG A 128 ? -17.40494 -16.28022 -29.14362 1.000 61.31141 N ? A ? 128 NE 1
   ATOM 1030 CZ . ARG A 128 ? -16.82469 -15.27955 -29.79426 1.000 60.43740 C ? A ? 128 CZ 1
   ATOM 1031 NH1 . ARG A 128 ? -15.79204 -14.62995 -29.28273 1.000 56.21319 N ? A ? 128 NH1 1
   ATOM 1032 NH2 . ARG A 128 ? -17.29302 -14.92072 -30.98989 1.000 67.65883 N ? A ? 128 NH2 1
   ATOM 1033 N . LEU A 129 ? -19.83483 -16.00401 -23.15450 1.000 48.40324 N ? A ? 129 N 1
   ATOM 1034 CA . LEU A 129 ? -19.63014 -16.16976 -21.72291 1.000 53.16878 C ? A ? 129 CA 1
   ATOM 1035 C . LEU A 129 ? -19.56043 -17.65823 -21.37063 1.000 59.81059 C ? A ? 129 C 1
   ATOM 1036 O . LEU A 129 ? -19.41299 -18.02570 -20.20706 1.000 50.70399 O ? A ? 129 O 1
   ATOM 1037 CB . LEU A 129 ? -20.77018 -15.51079 -20.92543 1.000 49.53071 C ? A ? 129 CB 1
   ATOM 1038 CG . LEU A 129 ? -21.16012 -14.04883 -21.16204 1.000 47.83619 C ? A ? 129 CG 1
   ATOM 1039 CD1 . LEU A 129 ? -22.56352 -13.80155 -20.61145 1.000 52.83382 C ? A ? 129 CD1 1
   ATOM 1040 CD2 . LEU A 129 ? -20.14978 -13.13578 -20.48243 1.000 51.49390 C ? A ? 129 CD2 1
   HETATM 1041 CL . CL A 201 ? -31.78786 -8.29819 -2.48057 1.000 26.72107 Cl ? B ? . CL 1
   HETATM 1042 CL . CL A 202 ? -28.99045 -11.28753 -16.84430 1.000 34.11962 Cl ? C ? . CL 1
   HETATM 1043 CL . CL A 203 ? -11.92904 11.65860 4.52164 1.000 34.63753 Cl ? D ? . CL 1
   HETATM 1044 NA . NA A 204 ? -14.68170 7.91768 3.27358 1.000 22.07773 Na 1+ E ? . NA 1
   HETATM 1046 O . HOH A 303 ? -13.84694 1.51073 -11.79723 0.859 27.99302 O ? F ? . O 1
   HETATM 1047 O . HOH A 304 ? -27.08230 -2.08160 -0.67158 0.834 30.24255 O ? F ? . O 1
   HETATM 1048 O . HOH A 306 ? -24.88536 7.54941 -8.83137 0.854 31.22072 O ? F ? . O 1
   HETATM 1049 O . HOH A 307 ? -26.43355 0.36447 0.89490 0.900 39.99046 O ? F ? . O 1
   HETATM 1050 O . HOH A 308 ? -18.12449 1.12029 -24.39484 1.000 35.47056 O ? F ? . O 1
   HETATM 1051 O . HOH A 309 ? -28.62488 -6.84738 0.69491 0.942 29.34323 O ? F ? . O 1
   HETATM 1052 O . HOH A 310 ? -25.22610 12.58718 2.94858 1.000 39.01023 O ? F ? . O 1
   HETATM 1053 O . HOH A 313 ? -15.04725 13.93234 -1.80485 1.000 20.58702 O ? F ? . O 1
   HETATM 1054 O . HOH A 314 ? -35.57427 -7.14538 -14.01433 1.000 41.12318 O ? F ? . O 1
   HETATM 1055 O . HOH A 315 ? -33.81861 1.53770 -19.02500 0.904 31.56768 O ? F ? . O 1
   HETATM 1056 O . HOH A 316 ? -13.39603 11.68316 -13.62098 1.000 20.75658 O ? F ? . O 1
   HETATM 1057 O . HOH A 318 ? -12.11533 -0.38543 -11.89212 1.000 36.12127 O ? F ? . O 1
   HETATM 1058 O . HOH A 320 ? -10.91776 5.77850 -19.15517 1.000 23.00034 O ? F ? . O 1
   HETATM 1060 O . HOH A 323 ? -36.02102 5.42874 -7.15779 0.938 41.05137 O ? F ? . O 1
   HETATM 1061 O . HOH A 326 ? -8.47044 -3.30418 -8.83465 1.000 31.93639 O ? F ? . O 1
   HETATM 1062 O . HOH A 330 ? -7.55969 4.21418 -15.03202 0.789 33.54037 O ? F ? . O 1
   HETATM 1063 O . HOH A 331 ? -36.30300 1.01861 -13.48658 0.922 24.63625 O ? F ? . O 1
   HETATM 1064 O . HOH A 332 ? -24.16915 8.74630 -4.73387 0.854 50.08911 O ? F ? . O 1
   HETATM 1065 O . HOH A 333 ? -33.73135 -6.34331 -12.07272 0.691 28.15329 O ? F ? . O 1
   HETATM 1066 O . HOH A 334 ? -22.81896 9.32546 -9.87752 0.900 28.69686 O ? F ? . O 1
   HETATM 1067 O . HOH A 335 ? -14.55038 14.82819 -9.69615 0.363 25.04174 O ? F ? . O 1
   HETATM 1068 O . HOH A 336 ? -38.49404 0.33266 -6.54929 0.863 37.79863 O ? F ? . O 1
   HETATM 1069 O . HOH A 337 ? -11.99474 -3.31308 -2.63472 0.627 29.27801 O ? F ? . O 1
   HETATM 1071 O . HOH A 339 ? -16.55594 1.69174 -8.87449 1.000 20.82373 O ? F ? . O 1
   HETATM 1072 O . HOH A 340 ? -19.95079 -14.98416 -11.62608 1.000 31.41485 O ? F ? . O 1
   HETATM 1074 O . HOH A 343 ? -32.60007 -2.62965 -19.30882 0.988 36.10409 O ? F ? . O 1
   HETATM 1076 O . HOH A 345 ? -31.82769 -10.63878 -4.95981 1.000 27.59902 O ? F ? . O 1
   HETATM 1077 O . HOH A 347 ? -13.18463 9.78801 2.30738 0.908 24.46368 O ? F ? . O 1
   HETATM 1079 O . HOH A 349 ? -17.84381 8.44284 -17.92482 0.997 27.15914 O ? F ? . O 1
   HETATM 1080 O . HOH A 350 ? -7.27113 3.55416 -17.86520 1.000 39.32244 O ? F ? . O 1
   HETATM 1081 O . HOH A 351 ? -7.16735 -0.98326 -7.85438 1.000 36.65483 O ? F ? . O 1
   HETATM 1083 O . HOH A 354 ? -6.08563 10.26623 2.80747 1.000 32.87747 O ? F ? . O 1
   HETATM 1084 O . HOH A 355 ? -10.33484 19.20109 -3.20581 0.982 29.67872 O ? F ? . O 1
   HETATM 1085 O . HOH A 356 ? -26.42529 5.74736 -6.06729 0.896 31.10382 O ? F ? . O 1
   HETATM 1086 O . HOH A 357 ? -19.48195 -5.64165 -26.61847 0.887 37.36076 O ? F ? . O 1
   HETATM 1088 O . HOH A 359 ? -12.91960 12.90574 9.55711 0.539 34.00409 O ? F ? . O 1
   HETATM 1089 O . HOH A 360 ? -19.48038 3.32573 -23.30814 1.000 43.16000 O ? F ? . O 1
   HETATM 1091 O . HOH A 362 ? -12.74572 7.73635 4.70231 0.858 25.73934 O ? F ? . O 1
   HETATM 1092 O . HOH A 363 ? -16.95977 -5.90330 -25.86896 1.000 33.04174 O ? F ? . O 1
   HETATM 1093 O . HOH A 364 ? -11.36055 -1.09080 -9.40456 0.916 26.72075 O ? F ? . O 1
   HETATM 1094 O . HOH A 365 ? -10.17606 2.76929 -22.95216 1.000 36.05068 O ? F ? . O 1
   HETATM 1095 O . HOH A 366 ? -37.62724 -4.11818 -20.61484 1.000 43.79486 O ? F ? . O 1
   HETATM 1096 O . HOH A 368 ? -28.17550 7.86899 -20.84489 1.000 25.45304 O ? F ? . O 1
   HETATM 1099 O . HOH A 371 ? -14.55298 2.97505 8.49296 1.000 36.31078 O ? F ? . O 1
   HETATM 1101 O . HOH A 374 ? -21.91969 3.73203 -3.20167 1.000 27.69195 O ? F ? . O 1
   HETATM 1102 O . HOH A 375 ? -13.02757 -4.23339 -0.42331 0.666 35.09490 O ? F ? . O 1
   HETATM 1103 O . HOH A 376 ? -33.15412 4.32339 -19.44856 1.000 23.31805 O ? F ? . O 1
   HETATM 1106 O . HOH A 380 ? -25.74220 14.68940 -4.87751 1.000 40.02343 O ? F ? . O 1
   HETATM 1107 O . HOH A 384 ? -32.96902 -15.21840 -31.70604 1.000 52.23730 O ? F ? . O 1
   HETATM 1112 O . HOH A 393 ? -39.44023 -3.54575 -10.73481 0.670 38.22809 O ? F ? . O 1
   HETATM 1115 O . HOH A 397 ? -28.31855 -3.50759 -25.04003 1.000 47.78202 O ? F ? . O 1
   HETATM 1116 O . HOH A 400 ? -23.97272 1.90144 5.10726 1.000 56.52151 O ? F ? . O 1
   HETATM 1117 O . HOH A 402 ? -25.80953 3.21316 3.63109 1.000 54.78372 O ? F ? . O 1
   HETATM 1120 O . HOH A 405 ? -20.11919 -17.93624 -12.33796 1.000 45.45872 O ? F ? . O 1
   HETATM 1121 O . HOH A 406 ? -30.48862 -2.54586 -24.16931 1.000 48.19635 O ? F ? . O 1
   HETATM 1517 O . HOH S 411 ? -29.30978 -14.57928 -9.60003 0.978 47.98155 O ? G ? . O 1
   HETATM 1518 O . HOH S 412 ? -32.06887 -14.69608 -8.14506 0.745 36.44673 O ? G ? . O 1
   HETATM 1519 O . HOH S 413 ? -12.42198 6.76390 7.29908 0.787 36.90819 O ? G ? . O 1
   HETATM 1520 O . HOH S 414 ? -24.37775 -15.12368 -3.52396 0.853 39.16465 O ? G ? . O 1
   HETATM 1521 O . HOH S 415 ? -11.98950 -1.60505 -24.02052 0.951 44.81731 O ? G ? . O 1
   HETATM 1522 O . HOH S 416 ? -6.20602 3.97582 -9.95609 0.942 43.65552 O ? G ? . O 1
   HETATM 1524 O . HOH S 418 ? -23.80409 8.84773 -12.94957 0.957 45.40322 O ? G ? . O 1
   HETATM 1533 O . HOH S 427 ? -15.81617 -8.48034 -0.83920 0.877 49.36057 O ? G ? . O 1
   HETATM 1534 O . HOH S 428 ? -26.14538 7.78662 -13.21075 0.521 26.53667 O ? G ? . O 1
   HETATM 1538 O . HOH S 432 ? -9.30735 5.07017 6.43698 0.996 39.40188 O ? G ? . O 1
   HETATM 1543 O . HOH S 437 ? -12.93421 -8.86100 -20.08292 0.374 23.68879 O ? G ? . O 1
   HETATM 1544 O . HOH S 438 ? -9.50723 -15.53683 -12.82229 1.000 50.72661 O ? G ? . O 1
   HETATM 1549 O . HOH S 443 ? -15.45762 -14.54807 -17.88918 0.931 43.64266 O ? G ? . O 1
   HETATM 1550 O . HOH S 444 ? -7.58767 13.70378 5.22592 0.556 32.83957 O ? G ? . O 1
   HETATM 1552 O . HOH S 446 ? -33.58734 -4.15643 -21.62043 0.559 35.84258 O ? G ? . O 1
   HETATM 1576 O . HOH S 457 ? -4.43267 4.68230 -6.59433 1.000 53.31742 O ? H ? . O 1
   HETATM 1578 O . HOH S 459 ? -23.59562 -17.21449 -18.64223 1.000 54.92200 O ? H ? . O 1
   HETATM 1580 O . HOH S 461 ? -17.82488 -9.54977 0.89693 1.000 51.07174 O ? H ? . O 1
   HETATM 1586 O . HOH S 467 ? -7.27534 -3.06292 -21.51499 0.898 48.05799 O ? H ? . O 1
   HETATM 1588 O . HOH S 469 ? -30.30385 6.22716 -22.45849 0.592 29.57055 O ? H ? . O 1
   HETATM 1589 O . HOH S 470 ? -39.81637 -0.17022 -8.94133 0.905 45.91659 O ? H ? . O 1
   HETATM 1593 O . HOH S 474 ? -18.12912 20.43922 -2.39409 0.762 49.15904 O ? H ? . O 1
   HETATM 1595 O . HOH S 476 ? -17.30784 8.16735 -20.89731 0.580 30.44078 O ? H ? . O 1
   HETATM 1597 O . HOH S 478 ? -38.31516 5.40474 -9.70527 0.961 51.33297 O ? H ? . O 1
   HETATM 1607 O . HOH S 479 ? -16.58272 19.07438 -8.69934 0.706 26.76112 O ? I ? . O 1
   HETATM 1609 O . HOH S 481 ? -16.54574 -16.02635 -22.16494 0.860 46.89906 O ? I ? . O 1
   HETATM 1612 O . HOH S 484 ? -20.66272 13.43785 3.39417 0.951 44.00282 O ? I ? . O 1
   HETATM 1634 O . HOH S 506 ? -4.52052 2.00406 -7.83328 1.000 49.18961 O ? I ? . O 1
   HETATM 1641 O . HOH S 509 ? -23.79875 2.52158 -4.37349 0.699 36.16003 O ? J ? . O 1
   HETATM 1644 O . HOH S 512 ? -31.29051 -0.06756 -25.62402 1.000 59.69836 O ? J ? . O 1
   HETATM 1647 O . HOH S 515 ? -9.08530 -4.44933 -17.59412 0.644 34.25283 O ? J ? . O 1
   HETATM 1650 O . HOH S 518 ? -18.08023 -11.65389 -23.40879 0.657 33.21929 O ? J ? . O 1
   HETATM 1660 O . HOH S 528 ? -10.70917 -7.15250 -20.83920 0.466 34.93171 O ? J ? . O 1
   HETATM 1661 O . HOH S 529 ? -9.93289 -5.15969 -2.91551 0.907 40.34894 O ? J ? . O 1
   HETATM 1662 O . HOH S 530 ? -22.10125 -15.44819 -7.59300 0.330 23.68223 O ? J ? . O 1
   HETATM 1663 O . HOH S 531 ? -19.13843 19.13843 -9.55000 0.402 30.25602 O ? J ? . O 1
   HETATM 1674 O . HOH S 539 ? -8.88642 10.61446 5.76071 0.558 34.90786 O ? K ? . O 1
   HETATM 1675 O . HOH S 540 ? -23.75599 10.96889 0.05440 0.646 35.06864 O ? K ? . O 1
   HETATM 1677 O . HOH S 542 ? -23.84789 -0.52526 6.41349 0.373 27.50271 O ? K ? . O 1
   HETATM 1680 O . HOH S 545 ? -17.49946 -15.67229 -19.67463 0.277 28.41446 O ? K ? . O 1
   HETATM 1683 O . HOH S 548 ? -18.36550 -19.23179 -29.26001 0.896 50.15463 O ? K ? . O 1
   HETATM 1689 O . HOH S 554 ? -27.70848 -4.44674 -27.54778 0.818 45.79359 O ? K ? . O 1
   HETATM 1692 O . HOH S 557 ? -31.89044 -11.81312 -16.05222 0.708 40.49487 O ? K ? . O 1

data_comp_CL
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
   CL CL CL CL 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
   CL CL n/a . END

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
   CL . 'chlorine                            ' non-polymer 1 1 .

data_comp_NA
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
   NA NA NA NA 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
   NA NA n/a . END

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
   NA . 'sodium                              ' non-polymer 1 1 .

data_link_SS
loop_
  _chem_link_bond.link_id
  _chem_link_bond.atom_1_comp_id
  _chem_link_bond.atom_id_1
  _chem_link_bond.atom_2_comp_id
  _chem_link_bond.atom_id_2
  _chem_link_bond.type
  _chem_link_bond.value_dist
  _chem_link_bond.value_dist_esd
   SS 1 SG 2 SG single 2.031 0.020

loop_
  _chem_link_angle.link_id
  _chem_link_angle.atom_1_comp_id
  _chem_link_angle.atom_id_1
  _chem_link_angle.atom_2_comp_id
  _chem_link_angle.atom_id_2
  _chem_link_angle.atom_3_comp_id
  _chem_link_angle.atom_id_3
  _chem_link_angle.value_angle
  _chem_link_angle.value_angle_esd
   SS 1 CB 1 SG 2 SG 104.200 2.100
   SS 1 SG 2 SG 2 CB 104.200 2.100

loop_
  _chem_link_tor.link_id
  _chem_link_tor.id
  _chem_link_tor.atom_1_comp_id
  _chem_link_tor.atom_id_1
  _chem_link_tor.atom_2_comp_id
  _chem_link_tor.atom_id_2
  _chem_link_tor.atom_3_comp_id
  _chem_link_tor.atom_id_3
  _chem_link_tor.atom_4_comp_id
  _chem_link_tor.atom_id_4
  _chem_link_tor.value_angle
  _chem_link_tor.alt_value_angle
  _chem_link_tor.value_angle_esd
  _chem_link_tor.period
   SS ss 1 CB 1 SG 2 SG 2 CB 93.0 -86.0 10.0 1
   SS chi2_1 1 CA 1 CB 1 SG 2 SG 79.0 183.0,-73.0 20.0 1
   SS chi2_2 1 SG 2 SG 2 CB 2 CA -79.0 -183.0,73.0 20.0 1

