data_7a85_qFit
_cell.length_a                    46.303
_cell.length_b                    60.910
_cell.length_c                    92.693
_cell.angle_alpha                 90.000
_cell.angle_beta                  96.852
_cell.angle_gamma                 90.000
_cell.volume                      259556.356
_space_group.crystal_system       monoclinic
_space_group.IT_number            5
_space_group.name_H-M_alt         'I 1 2 1'
_space_group.name_Hall            ' C 2y (x,y,-x+z)'
_symmetry.space_group_name_H-M    'I 1 2 1'
_symmetry.space_group_name_Hall   ' C 2y (x,y,-x+z)'
_symmetry.Int_Tables_number       5
_reflns.B_iso_Wilson_estimate     19.00
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              43.24
_refine.ls_d_res_high             1.52
_refine.pdbx_ls_sigma_F           1.35
_refine.ls_percent_reflns_obs     97.91
_refine.ls_number_reflns_obs      38586
_refine.ls_number_reflns_R_work   36587
_refine.ls_number_reflns_R_free   1999
_refine.ls_R_factor_obs           0.2688
_refine.ls_R_factor_R_work        0.2665
_refine.ls_R_factor_R_free        0.3101
_refine.ls_percent_reflns_R_free  5.18
_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             0.2365
_refine.pdbx_overall_phase_error  34.6432
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                25.56
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 -x,y,-z
   3 x+1/2,y+1/2,z+1/2
   4 -x+1/2,y+1/2,-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 1849 0.0155 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2480 1.6412 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 268 0.0931 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 322 0.0177 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 682 21.7494 ? ?

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' 3.66 43.24 2697 0.2019 98.34 0.2557 148
   'X-RAY DIFFRACTION' 2.91 3.66 2657 0.2271 98.94 0.2651 144
   'X-RAY DIFFRACTION' 2.54 2.91 2676 0.2592 99.40 0.2655 147
   'X-RAY DIFFRACTION' 2.31 2.54 2616 0.2631 98.54 0.2790 143
   'X-RAY DIFFRACTION' 2.14 2.31 2497 0.3520 93.37 0.3801 137
   'X-RAY DIFFRACTION' 2.02 2.14 2627 0.2748 99.18 0.3298 143
   'X-RAY DIFFRACTION' 1.92 2.02 2430 0.3725 90.21 0.4377 133
   'X-RAY DIFFRACTION' 1.83 1.92 2522 0.3951 94.80 0.5063 138
   'X-RAY DIFFRACTION' 1.76 1.83 2628 0.3118 99.89 0.3568 144
   'X-RAY DIFFRACTION' 1.70 1.76 2675 0.2981 99.89 0.3725 145
   'X-RAY DIFFRACTION' 1.65 1.70 2642 0.2885 99.93 0.3909 145
   'X-RAY DIFFRACTION' 1.60 1.65 2642 0.2964 99.68 0.3617 145
   'X-RAY DIFFRACTION' 1.56 1.60 2657 0.2924 99.50 0.3116 144
   'X-RAY DIFFRACTION' 1.52 1.56 2621 0.2889 99.21 0.3379 143

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale ASN A 39 CA ASN A 36 CA . ARG A 73 NH1 ARG A 67 NH1 . 'Bond created based on atom type and distance.'
   C00002 covale LYS A 45 CE LYS A 42 CE . PGE A 301 O1 PGE C . O1 . 'Bond created based on atom type and distance.'
   C00003 covale THR A 62 CG2 THR A 59 CG2 . ARG A 96 NH2 ARG A 90 NH2 . 'Bond created based on atom type and distance.'
   C00004 covale THR A 63 CG2 THR A 60 CG2 . ARG A 96 NH1 ARG A 90 NH1 . 'Bond created based on atom type and distance.'
   C00005 covale LEU A 64 C LEU A 61 C . CRO A 66 N1 CRO B . N1 . 'Bond created based on atom type and distance.'
   C00006 covale VAL A 68 N VAL A 62 N . CRO A 66 C3 CRO B . C3 . 'Bond created based on atom type and distance.'
   C00007 covale TYR A 92 CE1 TYR A 86 CE1 . PRO A 187 N PRO A 181 N . 'Bond created based on atom type and distance.'
   C00008 covale GLU A 124 OE2 GLU A 118 OE2 . PEG A 302 C2 PEG D . C2 . 'Bond created based on atom type and distance.'
   C00009 covale HIS A 148 ND1 HIS A 142 ND1 . THR A 203 CG2 THR A 197 CG2 . 'Bond created based on atom type and distance.'
   C00010 covale HIS A 148 CE1 HIS A 142 CE1 . CRO A 66 CE2 CRO B . CE2 . 'Bond created based on atom type and distance.'

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

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CRO
   CYS
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PEG
   PGE
   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 . GLY A 4 ? 21.60111 22.73465 17.34648 1.000 27.09931 N ? A ? 1 N 1
   ATOM 2 CA . GLY A 4 ? 20.15808 22.60173 17.20593 1.000 20.67000 C ? A ? 1 CA 1
   ATOM 3 C . GLY A 4 ? 19.68230 22.22303 15.81484 1.000 27.07381 C ? A ? 1 C 1
   ATOM 4 O . GLY A 4 ? 18.55397 21.73573 15.64301 1.000 22.28410 O ? A ? 1 O 1
   ATOM 5 N . GLU A 5 ? 20.56765 22.45602 14.84196 1.000 29.38971 N ? A ? 2 N 1
   ATOM 6 CA . GLU A 5 ? 20.35385 22.17713 13.42539 1.000 30.89498 C ? A ? 2 CA 1
   ATOM 7 C . GLU A 5 ? 19.66752 20.86562 13.14354 1.000 22.87479 C ? A ? 2 C 1
   ATOM 8 O . GLU A 5 ? 18.68712 20.80710 12.38462 1.000 21.49768 O ? A ? 2 O 1
   ATOM 9 CB . GLU A 5 ? 21.71052 22.12236 12.71931 1.000 45.39324 C ? A ? 2 CB 1
   ATOM 10 CG . GLU A 5 ? 22.55214 23.27524 13.02544 1.000 50.50458 C ? A ? 2 CG 1
   ATOM 11 CD . GLU A 5 ? 21.92439 24.49156 12.45044 1.000 59.64927 C ? A ? 2 CD 1
   ATOM 12 OE1 . GLU A 5 ? 22.06341 24.69120 11.22251 1.000 63.51204 O ? A ? 2 OE1 1
   ATOM 13 OE2 . GLU A 5 ? 21.24617 25.21632 13.20912 1.000 55.83211 O ? A ? 2 OE2 1
   ATOM 14 N . GLU A 6 ? 20.29511 19.79553 13.63021 1.000 25.03197 N ? A ? 3 N 1
   ATOM 15 CA . GLU A 6 ? 19.91531 18.44242 13.27799 1.000 24.84578 C ? A ? 3 CA 1
   ATOM 16 C . GLU A 6 ? 18.45574 18.19109 13.53503 1.000 21.51448 C ? A ? 3 C 1
   ATOM 17 O . GLU A 6 ? 17.87031 17.32756 12.89699 1.000 26.83159 O ? A ? 3 O 1
   ATOM 18 CB . GLU A 6 ? 20.73137 17.41157 14.07853 1.000 35.29306 C ? A ? 3 CB 1
   ATOM 19 CG . GLU A 6 ? 22.24626 17.35702 13.77866 1.000 36.33415 C ? A ? 3 CG 1
   ATOM 20 CD . GLU A 6 ? 22.86131 15.94811 13.90687 1.000 46.09681 C ? A ? 3 CD 1
   ATOM 21 OE1 . GLU A 6 ? 22.11699 14.95772 14.06649 1.000 45.79846 O ? A ? 3 OE1 1
   ATOM 22 OE2 . GLU A 6 ? 24.10671 15.81963 13.84107 1.000 36.49607 O ? A ? 3 OE2 1
   ATOM 23 N . LEU A 7 ? 17.84716 18.92538 14.47712 1.000 23.16174 N ? A ? 4 N 1
   ATOM 24 CA . LEU A 7 ? 16.43988 18.69623 14.82218 1.000 19.81939 C ? A ? 4 CA 1
   ATOM 25 C . LEU A 7 ? 15.50270 19.09798 13.69871 1.000 22.46374 C ? A ? 4 C 1
   ATOM 26 O . LEU A 7 ? 14.31101 18.73863 13.74353 1.000 19.06631 O ? A ? 4 O 1
   ATOM 27 CB . LEU A 7 ? 16.07028 19.48335 16.09812 1.000 16.31868 C ? A ? 4 CB 1
   ATOM 28 CG . LEU A 7 ? 16.69655 18.94315 17.39801 1.000 18.47953 C ? A ? 4 CG 1
   ATOM 29 CD1 . LEU A 7 ? 16.75591 19.97147 18.54773 1.000 17.52266 C ? A ? 4 CD1 1
   ATOM 30 CD2 . LEU A 7 ? 16.04056 17.63166 17.87082 1.000 24.20629 C ? A ? 4 CD2 1
   ATOM 31 N . PHE A 8 ? 16.00912 19.84420 12.69831 1.000 20.34355 N ? A ? 5 N 1
   ATOM 32 CA . PHE A 8 ? 15.18005 20.41205 11.64340 1.000 21.71812 C ? A ? 5 CA 1
   ATOM 33 C . PHE A 8 ? 15.53070 19.86774 10.26332 1.000 27.97490 C ? A ? 5 C 1
   ATOM 34 O . PHE A 8 ? 15.14299 20.46105 9.24732 1.000 24.17036 O ? A ? 5 O 1
   ATOM 35 CB . PHE A 8 ? 15.30230 21.94437 11.67757 1.000 21.04688 C ? A ? 5 CB 1
   ATOM 36 CG . PHE A 8 ? 14.74540 22.55080 12.93861 1.000 27.18253 C ? A ? 5 CG 1
   ATOM 37 CD1 . PHE A 8 ? 13.37341 22.76827 13.08739 1.000 31.80578 C ? A ? 5 CD1 1
   ATOM 38 CD2 . PHE A 8 ? 15.58252 22.86804 13.99062 1.000 30.51864 C ? A ? 5 CD2 1
   ATOM 39 CE1 . PHE A 8 ? 12.86363 23.32605 14.26187 1.000 30.93484 C ? A ? 5 CE1 1
   ATOM 40 CE2 . PHE A 8 ? 15.07949 23.41007 15.16130 1.000 34.40620 C ? A ? 5 CE2 1
   ATOM 41 CZ . PHE A 8 ? 13.71881 23.63854 15.29704 1.000 34.30854 C ? A ? 5 CZ 1
   ATOM 42 N . THR A 9 ? 16.20590 18.71667 10.19743 1.000 24.09073 N ? A ? 6 N 1
   ATOM 43 CA . THR A 9 ? 16.63792 18.23885 8.88508 1.000 25.85478 C ? A ? 6 CA 1
   ATOM 44 C . THR A 9 ? 15.47598 17.71281 8.04887 1.000 28.07597 C ? A ? 6 C 1
   ATOM 45 O . THR A 9 ? 15.44903 17.92194 6.83374 1.000 31.97218 O ? A ? 6 O 1
   ATOM 46 CB . THR A 9 ? 17.73591 17.18004 9.04056 1.000 23.21552 C ? A ? 6 CB 1
   ATOM 47 OG1 . THR A 9 ? 17.29540 16.10238 9.86883 1.000 33.32496 O ? A ? 6 OG1 1
   ATOM 48 CG2 . THR A 9 ? 18.99338 17.81797 9.67386 1.000 30.37403 C ? A ? 6 CG2 1
   ATOM 49 N . GLY A 10 ? 14.49598 17.07149 8.66410 1.000 28.12230 N ? A ? 7 N 1
   ATOM 50 CA . GLY A 10 ? 13.31434 16.67928 7.91903 1.000 19.21140 C ? A ? 7 CA 1
   ATOM 51 C . GLY A 10 ? 12.08067 17.40934 8.40570 1.000 23.61055 C ? A ? 7 C 1
   ATOM 52 O . GLY A 10 ? 12.15007 18.50045 8.99758 1.000 22.18518 O ? A ? 7 O 1
   ATOM 53 N . VAL A 11 ? 10.94441 16.79898 8.13577 1.000 20.67675 N ? A ? 8 N 1
   ATOM 54 CA . VAL A 11 ? 9.65267 17.36258 8.46134 1.000 19.80157 C ? A ? 8 CA 1
   ATOM 55 C . VAL A 11 ? 9.35184 17.09493 9.92717 1.000 19.42121 C ? A ? 8 C 1
   ATOM 56 O . VAL A 11 ? 9.52681 15.96912 10.41910 1.000 20.86103 O ? A ? 8 O 1
   ATOM 57 CB . VAL A 11 ? 8.58676 16.75007 7.55087 1.000 21.72381 C ? A ? 8 CB 1
   ATOM 58 CG1 . VAL A 11 ? 7.20384 17.09255 8.02046 1.000 23.56025 C ? A ? 8 CG1 1
   ATOM 59 CG2 . VAL A 11 ? 8.85766 17.18204 6.12692 1.000 26.77378 C ? A ? 8 CG2 1
   ATOM 60 N . VAL A 12 ? 8.91358 18.12110 10.64296 1.000 17.58226 N ? A ? 9 N 1
   ATOM 61 CA . VAL A 12 ? 8.68813 17.98639 12.07557 1.000 15.36132 C ? A ? 9 CA 1
   ATOM 62 C . VAL A 12 ? 7.25985 18.38238 12.39224 1.000 16.33406 C ? A ? 9 C 1
   ATOM 63 O . VAL A 12 ? 6.79494 19.43268 11.93448 1.000 16.28261 O ? A ? 9 O 1
   ATOM 64 CB . VAL A 12 ? 9.67454 18.83348 12.87738 1.000 18.58194 C ? A ? 9 CB 1
   ATOM 65 CG1 . VAL A 12 ? 9.68473 20.05395 12.29292 1.000 23.76263 C ? A ? 9 CG1 1
   ATOM 66 CG2 . VAL A 12 ? 9.31525 18.93942 14.37012 1.000 18.91567 C ? A ? 9 CG2 1
   ATOM 67 N . PRO A 13 ? 6.55324 17.57441 13.16570 1.000 17.67760 N ? A ? 10 N 1
   ATOM 68 CA . PRO A 13 ? 5.18697 17.91379 13.58462 1.000 15.80443 C ? A ? 10 CA 1
   ATOM 69 C . PRO A 13 ? 5.15016 19.11216 14.54545 1.000 17.58209 C ? A ? 10 C 1
   ATOM 70 O . PRO A 13 ? 6.11201 19.40005 15.26496 1.000 17.95423 O ? A ? 10 O 1
   ATOM 71 CB . PRO A 13 ? 4.70234 16.64050 14.28753 1.000 17.65143 C ? A ? 10 CB 1
   ATOM 72 CG . PRO A 13 ? 5.73095 15.55418 13.94014 1.000 26.42777 C ? A ? 10 CG 1
   ATOM 73 CD . PRO A 13 ? 7.01863 16.25946 13.65447 1.000 17.20559 C ? A ? 10 CD 1
   ATOM 74 N . ILE A 14 ? 4.03624 19.83503 14.50682 1.000 15.81240 N ? A ? 11 N 1
   ATOM 75 CA . ILE A 14 ? 3.89501 21.09834 15.21979 1.000 14.32799 C ? A ? 11 CA 1
   ATOM 76 C . ILE A 14 ? 2.60753 21.06975 16.00110 1.000 13.50094 C ? A ? 11 C 1
   ATOM 77 O . ILE A 14 ? 1.57641 20.66376 15.47508 1.000 14.24381 O ? A ? 11 O 1
   ATOM 78 CB . ILE A 14 ? 3.86056 22.29776 14.26464 1.000 14.85268 C ? A ? 11 CB 1
   ATOM 79 CG1 . ILE A 14 ? 5.23908 22.44465 13.57636 1.000 12.89488 C ? A ? 11 CG1 1
   ATOM 80 CG2 . ILE A 14 ? 3.50092 23.54797 15.08361 1.000 17.27749 C ? A ? 11 CG2 1
   ATOM 81 CD1 . ILE A 14 ? 5.24317 23.52649 12.41220 1.000 19.65959 C ? A ? 11 CD1 1
   ATOM 82 N . LEU A 15 ? 2.65447 21.54649 17.23044 1.000 18.45126 N ? A ? 12 N 1
   ATOM 83 CA . LEU A 15 ? 1.46207 21.86229 18.00275 1.000 14.98328 C ? A ? 12 CA 1
   ATOM 84 C . LEU A 15 ? 1.52395 23.32881 18.38374 1.000 16.42570 C ? A ? 12 C 1
   ATOM 85 O . LEU A 15 ? 2.56731 23.80137 18.86529 1.000 14.99555 O ? A ? 12 O 1
   ATOM 86 CB . LEU A 15 ? 1.36566 20.98823 19.27160 1.000 20.12298 C ? A ? 12 CB 1
   ATOM 87 CG . LEU A 15 ? 0.27703 21.37347 20.29291 1.000 18.27506 C ? A ? 12 CG 1
   ATOM 88 CD1 . LEU A 15 ? -1.10551 21.06149 19.70744 1.000 17.98713 C ? A ? 12 CD1 1
   ATOM 89 CD2 . LEU A 15 ? 0.47853 20.65111 21.61884 1.000 23.52615 C ? A ? 12 CD2 1
   ATOM 90 N . VAL A 16 ? 0.41023 24.03804 18.20408 1.000 14.00331 N ? A ? 13 N 1
   ATOM 91 CA . VAL A 16 ? 0.26264 25.40601 18.68888 1.000 13.47055 C ? A ? 13 CA 1
   ATOM 92 C . VAL A 16 ? -0.92172 25.48035 19.64559 1.000 14.66997 C ? A ? 13 C 1
   ATOM 93 O . VAL A 16 ? -2.01146 24.99626 19.32917 1.000 18.47580 O ? A ? 13 O 1
   ATOM 94 CB . VAL A 16 ? 0.06791 26.40879 17.54230 1.000 12.11584 C ? A ? 13 CB 1
   ATOM 95 CG1 . VAL A 16 ? -0.01625 27.77419 18.11137 1.000 12.28419 C ? A ? 13 CG1 1
   ATOM 96 CG2 . VAL A 16 ? 1.26314 26.29373 16.55399 1.000 12.19950 C ? A ? 13 CG2 1
   ATOM 97 N . GLU A 17 ? -0.70468 26.08907 20.81171 1.000 15.27998 N ? A ? 14 N 1
   ATOM 98 CA . GLU A 17 ? -1.78301 26.30681 21.76555 1.000 17.86686 C ? A ? 14 CA 1
   ATOM 99 C . GLU A 17 ? -1.77218 27.75983 22.19656 1.000 15.45417 C ? A ? 14 C 1
   ATOM 100 O . GLU A 17 ? -0.75737 28.25368 22.69536 1.000 20.25408 O ? A ? 14 O 1
   ATOM 101 CB . GLU A 17 ? -1.65294 25.38372 22.96494 1.000 16.95672 C ? A ? 14 CB 1
   ATOM 102 CG . GLU A 17 ? -2.16612 23.99127 22.62435 1.000 24.06572 C ? A ? 14 CG 1
   ATOM 103 CD . GLU A 17 ? -1.99436 22.99228 23.73782 1.000 36.93255 C ? A ? 14 CD 1
   ATOM 104 OE1 . GLU A 17 ? -1.68137 23.41452 24.86388 1.000 44.48905 O ? A ? 14 OE1 1
   ATOM 105 OE2 . GLU A 17 ? -2.17990 21.78475 23.47706 1.000 40.41221 O ? A ? 14 OE2 1
   ATOM 106 N . LEU A 18 ? -2.86983 28.46748 21.94325 1.000 15.49126 N ? A ? 15 N 1
   ATOM 107 CA . LEU A 18 ? -3.00128 29.84964 22.36843 1.000 17.62842 C ? A ? 15 CA 1
   ATOM 108 C . LEU A 18 ? -4.18687 29.96570 23.32274 1.000 22.29463 C ? A ? 15 C 1
   ATOM 109 O . LEU A 18 ? -5.28015 29.47927 23.02014 1.000 23.91975 O ? A ? 15 O 1
   ATOM 110 CB . LEU A 18 ? -3.20688 30.76362 21.14234 1.000 18.44740 C ? A ? 15 CB 1
   ATOM 111 CG . LEU A 18 ? -3.39427 32.26750 21.38752 1.000 17.06016 C ? A ? 15 CG 1
   ATOM 112 CD1 . LEU A 18 ? -3.00257 33.04127 20.12158 1.000 23.88069 C ? A ? 15 CD1 1
   ATOM 113 CD2 . LEU A 18 ? -4.83720 32.65035 21.81938 1.000 18.70127 C ? A ? 15 CD2 1
   ATOM 114 N . ASP A 19 ? -4.00295 30.63251 24.45242 1.000 20.94022 N ? A ? 16 N 1
   ATOM 115 CA . ASP A 19 ? -5.17139 31.05733 25.21730 1.000 21.63942 C ? A ? 16 CA 1
   ATOM 116 C . ASP A 19 ? -5.16554 32.56887 25.31269 1.000 20.17973 C ? A ? 16 C 1
   ATOM 117 O . ASP A 19 ? -4.12310 33.18273 25.57701 1.000 20.61462 O ? A ? 16 O 1
   ATOM 118 CB . ASP A 19 ? -5.26393 30.42771 26.58393 1.000 35.04557 C ? A ? 16 CB 1
   ATOM 119 CG . ASP A 19 ? -4.42920 31.09109 27.57689 1.000 34.53318 C ? A ? 16 CG 1
   ATOM 120 OD1 . ASP A 19 ? -4.98913 31.61486 28.57905 1.000 42.65425 O ? A ? 16 OD1 1
   ATOM 121 OD2 . ASP A 19 ? -3.20249 31.08500 27.35773 1.000 43.92751 O ? A ? 16 OD2 1
   ATOM 122 N . GLY A 20 ? -6.31951 33.15391 25.05838 1.000 20.84246 N ? A ? 17 N 1
   ATOM 123 CA . GLY A 20 ? -6.40587 34.57636 24.81921 1.000 24.32604 C ? A ? 17 CA 1
   ATOM 124 C . GLY A 20 ? -7.49227 35.22001 25.63354 1.000 26.45945 C ? A ? 17 C 1
   ATOM 125 O . GLY A 20 ? -8.49265 34.59909 26.00235 1.000 18.18959 O ? A ? 17 O 1
   ATOM 126 N . ASP A 21 ? -7.30175 36.49849 25.89450 1.000 26.35351 N ? A ? 18 N 1
   ATOM 127 CA . ASP A 21 ? -8.30597 37.32898 26.54353 1.000 21.31763 C ? A ? 18 CA 1
   ATOM 128 C . ASP A 21 ? -8.17558 38.69395 25.88760 1.000 24.35547 C ? A ? 18 C 1
   ATOM 129 O . ASP A 21 ? -7.17049 39.38072 26.07199 1.000 22.78326 O ? A ? 18 O 1
   ATOM 130 CB . ASP A 21 ? -8.08064 37.42348 28.05356 1.000 25.28199 C ? A ? 18 CB 1
   ATOM 131 CG . ASP A 21 ? -9.06183 38.37433 28.73231 1.000 37.93551 C ? A ? 18 CG 1
   ATOM 132 OD1 . ASP A 21 ? -9.71383 37.96691 29.71933 1.000 42.75207 O ? A ? 18 OD1 1
   ATOM 133 OD2 . ASP A 21 ? -9.19060 39.52007 28.26326 1.000 33.85257 O ? A ? 18 OD2 1
   ATOM 134 N . VAL A 22 ? -9.18211 39.08887 25.13945 1.000 22.37856 N ? A ? 19 N 1
   ATOM 135 CA . VAL A 22 ? -9.14508 40.32019 24.37486 1.000 22.81734 C ? A ? 19 CA 1
   ATOM 136 C . VAL A 22 ? -10.33051 41.15247 24.85170 1.000 31.13476 C ? A ? 19 C 1
   ATOM 137 O . VAL A 22 ? -11.46859 40.90585 24.44655 1.000 28.97523 O ? A ? 19 O 1
   ATOM 138 CB . VAL A 22 ? -9.17243 40.02169 22.87371 1.000 21.22361 C ? A ? 19 CB 1
   ATOM 139 CG1 . VAL A 22 ? -9.48816 41.15577 22.10085 1.000 23.16386 C ? A ? 19 CG1 1
   ATOM 140 CG2 . VAL A 22 ? -7.76962 39.63388 22.43481 1.000 17.07665 C ? A ? 19 CG2 1
   ATOM 141 N . ASN A 23 ? -10.06407 42.11180 25.75212 1.000 21.16569 N ? A ? 20 N 1
   ATOM 142 CA . ASN A 23 ? -11.10022 42.96000 26.36563 1.000 28.56723 C ? A ? 20 CA 1
   ATOM 143 C . ASN A 23 ? -12.13327 42.11374 27.11612 1.000 32.03595 C ? A ? 20 C 1
   ATOM 144 O . ASN A 23 ? -13.34089 42.37756 27.06482 1.000 30.46322 O ? A ? 20 O 1
   ATOM 145 CB . ASN A 23 ? -11.78942 43.85486 25.33090 1.000 28.51276 C ? A ? 20 CB 1
   ATOM 146 CG . ASN A 23 ? -10.94666 45.08152 24.93639 1.000 35.70944 C ? A ? 20 CG 1
   ATOM 147 OD1 . ASN A 23 ? -9.72596 45.01269 24.83039 1.000 36.45474 O ? A ? 20 OD1 1
   ATOM 148 ND2 . ASN A 23 ? -11.62019 46.18629 24.66086 1.000 38.31671 N ? A ? 20 ND2 1
   ATOM 149 N . GLY A 24 ? -11.66200 41.08402 27.81315 1.000 25.59201 N ? A ? 21 N 1
   ATOM 150 CA . GLY A 24 ? -12.52577 40.17926 28.54539 1.000 31.63574 C ? A ? 21 CA 1
   ATOM 151 C . GLY A 24 ? -13.09238 39.02156 27.74140 1.000 33.70224 C ? A ? 21 C 1
   ATOM 152 O . GLY A 24 ? -13.61868 38.07418 28.33259 1.000 23.77632 O ? A ? 21 O 1
   ATOM 153 N . HIS A 25 ? -12.97482 39.03452 26.41698 1.000 30.93311 N ? A ? 22 N 1
   ATOM 154 CA . HIS A 25 ? -13.46830 37.90169 25.64295 1.000 26.35793 C ? A ? 22 CA 1
   ATOM 155 C . HIS A 25 ? -12.40626 36.81872 25.65579 1.000 32.90010 C ? A ? 22 C 1
   ATOM 156 O . HIS A 25 ? -11.35083 36.96337 25.03186 1.000 27.38169 O ? A ? 22 O 1
   ATOM 157 CB . HIS A 25 ? -13.82539 38.32056 24.22848 1.000 32.23629 C ? A ? 22 CB 1
   ATOM 158 CG . HIS A 25 ? -14.61452 39.58562 24.18053 1.000 32.55964 C ? A ? 22 CG 1
   ATOM 159 ND1 . HIS A 25 ? -15.89001 39.67495 24.69223 1.000 32.52992 N ? A ? 22 ND1 1
   ATOM 160 CD2 . HIS A 25 ? -14.29781 40.82161 23.73233 1.000 30.43092 C ? A ? 22 CD2 1
   ATOM 161 CE1 . HIS A 25 ? -16.33408 40.91202 24.54377 1.000 41.16871 C ? A ? 22 CE1 1
   ATOM 162 NE2 . HIS A 25 ? -15.38558 41.62989 23.96738 1.000 41.46694 N ? A ? 22 NE2 1
   ATOM 163 N . LYS A 26 ? -12.67744 35.74534 26.38307 1.000 28.55161 N ? A ? 23 N 1
   ATOM 164 CA . LYS A 26 ? -11.75393 34.63103 26.43954 1.000 26.19663 C ? A ? 23 CA 1
   ATOM 165 C . LYS A 26 ? -11.95404 33.72163 25.23832 1.000 26.31075 C ? A ? 23 C 1
   ATOM 166 O . LYS A 26 ? -13.06233 33.58840 24.70692 1.000 30.23125 O ? A ? 23 O 1
   ATOM 167 CB . LYS A 26 ? -11.95549 33.87652 27.74977 1.000 26.98646 C ? A ? 23 CB 1
   ATOM 168 CG . LYS A 26 ? -11.39514 34.64581 28.96404 1.000 30.08882 C ? A ? 23 CG 1
   ATOM 169 CD . LYS A 26 ? -12.14107 34.27712 30.25400 1.000 36.80144 C ? A ? 23 CD 1
   ATOM 170 CE . LYS A 26 ? -12.53770 32.78847 30.26128 1.000 43.80002 C ? A ? 23 CE 1
   ATOM 171 NZ . LYS A 26 ? -13.82839 32.48515 30.98046 1.000 45.85737 N ? A ? 23 NZ 1
   ATOM 172 N . PHE A 27 ? -10.85293 33.12992 24.77056 1.000 23.46603 N ? A ? 24 N 1
   ATOM 173 CA . PHE A 27 ? -10.89706 32.18979 23.65835 1.000 25.08289 C ? A ? 24 CA 1
   ATOM 174 C . PHE A 27 ? -9.64975 31.32955 23.70239 1.000 23.89976 C ? A ? 24 C 1
   ATOM 175 O . PHE A 27 ? -8.65132 31.70460 24.30822 1.000 20.99564 O ? A ? 24 O 1
   ATOM 176 CB . PHE A 27 ? -11.00043 32.90792 22.31030 1.000 28.14978 C ? A ? 24 CB 1
   ATOM 177 CG . PHE A 27 ? -9.89287 33.90018 22.03666 1.000 26.32191 C ? A ? 24 CG 1
   ATOM 178 CD1 . PHE A 27 ? -8.83262 33.55283 21.21145 1.000 24.71304 C ? A ? 24 CD1 1
   ATOM 179 CD2 . PHE A 27 ? -9.92751 35.18069 22.57165 1.000 30.74097 C ? A ? 24 CD2 1
   ATOM 180 CE1 . PHE A 27 ? -7.83359 34.47322 20.92003 1.000 30.64702 C ? A ? 24 CE1 1
   ATOM 181 CE2 . PHE A 27 ? -8.91218 36.10151 22.29036 1.000 35.31544 C ? A ? 24 CE2 1
   ATOM 182 CZ . PHE A 27 ? -7.86278 35.73460 21.47374 1.000 30.54439 C ? A ? 24 CZ 1
   ATOM 183 N . SER A 28 ? -9.73261 30.15290 23.09744 1.000 23.54454 N ? A ? 25 N 1
   ATOM 184 CA . SER A 28 ? -8.56730 29.28746 22.94445 1.000 20.64268 C ? A ? 25 CA 1
   ATOM 185 C . SER A 28 ? -8.48475 28.83318 21.50590 1.000 22.37999 C ? A ? 25 C 1
   ATOM 186 O . SER A 28 ? -9.50414 28.67684 20.83226 1.000 24.03664 O ? A ? 25 O 1
   ATOM 187 CB . SER A 28 ? -8.59094 28.06348 23.86162 1.000 22.23537 C ? A ? 25 CB 1
   ATOM 188 OG . SER A 28 ? -8.54834 28.49789 25.18776 1.000 25.08100 O ? A ? 25 OG 1
   ATOM 189 N . VAL A 29 ? -7.24758 28.62982 21.03564 1.000 20.16651 N ? A ? 26 N 1
   ATOM 190 CA . VAL A 29 ? -6.97926 28.15306 19.69082 1.000 18.40868 C ? A ? 26 CA 1
   ATOM 191 C . VAL A 29 ? -5.97400 27.01204 19.78362 1.000 19.17208 C ? A ? 26 C 1
   ATOM 192 O . VAL A 29 ? -4.95477 27.13013 20.46532 1.000 21.90449 O ? A ? 26 O 1
   ATOM 193 CB . VAL A 29 ? -6.43416 29.28462 18.77497 1.000 14.55957 C ? A ? 26 CB 1
   ATOM 194 CG1 . VAL A 29 ? -5.91689 28.75635 17.44702 1.000 17.36453 C ? A ? 26 CG1 1
   ATOM 195 CG2 . VAL A 29 ? -7.47772 30.34578 18.54092 1.000 16.97656 C ? A ? 26 CG2 1
   ATOM 196 N . ARG A 30 ? -6.24026 25.93316 19.06331 1.000 17.14817 N ? A ? 27 N 1
   ATOM 197 CA . ARG A 30 ? -5.32396 24.81396 18.95688 1.000 18.82660 C ? A ? 27 CA 1
   ATOM 198 C . ARG A 30 ? -4.96015 24.65938 17.47874 1.000 22.01942 C ? A ? 27 C 1
   ATOM 199 O . ARG A 30 ? -5.83824 24.69293 16.60927 1.000 17.09904 O ? A ? 27 O 1
   ATOM 200 CB . ARG A 30 ? -5.97056 23.54838 19.56726 1.000 21.04318 C ? A ? 27 CB 1
   ATOM 201 CG . ARG A 30 ? -4.96322 22.48204 20.03353 1.000 28.03851 C ? A ? 27 CG 1
   ATOM 202 CD . ARG A 30 ? -5.60218 21.10780 20.13409 1.000 27.63265 C ? A ? 27 CD 1
   ATOM 203 NE . ARG A 30 ? -4.62634 20.04884 19.91200 1.000 28.84026 N ? A ? 27 NE 1
   ATOM 204 CZ . ARG A 30 ? -3.91899 19.45348 20.86488 1.000 47.54226 C ? A ? 27 CZ 1
   ATOM 205 NH1 . ARG A 30 ? -4.02127 19.81646 22.13335 1.000 48.41499 N ? A ? 27 NH1 1
   ATOM 206 NH2 . ARG A 30 ? -3.08795 18.46406 20.53723 1.000 46.71642 N ? A ? 27 NH2 1
   ATOM 207 N . GLY A 31 ? -3.66369 24.58441 17.19251 1.000 17.81009 N ? A ? 28 N 1
   ATOM 208 CA . GLY A 31 ? -3.19006 24.34371 15.84496 1.000 14.10645 C ? A ? 28 CA 1
   ATOM 209 C . GLY A 31 ? -2.29640 23.10670 15.75243 1.000 15.96251 C ? A ? 28 C 1
   ATOM 210 O . GLY A 31 ? -1.57090 22.77039 16.69072 1.000 16.16033 O ? A ? 28 O 1
   ATOM 211 N . GLU A 32 ? -2.37125 22.43323 14.59974 1.000 16.72383 N ? A ? 29 N 1
   ATOM 212 CA . GLU A 32 ? -1.63704 21.18893 14.35594 1.000 17.29695 C ? A ? 29 CA 1
   ATOM 213 C . GLU A 32 ? -1.24681 21.14347 12.89773 1.000 19.25178 C ? A ? 29 C 1
   ATOM 214 O . GLU A 32 ? -2.01381 21.56119 12.03396 1.000 20.90086 O ? A ? 29 O 1
   ATOM 215 CB . GLU A 32 ? -2.44816 19.92132 14.68651 1.000 23.53912 C ? A ? 29 CB 1
   ATOM 216 CG . GLU A 32 ? -2.69711 19.72432 16.14254 1.000 23.17723 C ? A ? 29 CG 1
   ATOM 217 CD . GLU A 32 ? -3.84599 18.78833 16.45576 1.000 38.36555 C ? A ? 29 CD 1
   ATOM 218 OE1 . GLU A 32 ? -3.98781 17.77514 15.75370 1.000 34.10664 O ? A ? 29 OE1 1
   ATOM 219 OE2 . GLU A 32 ? -4.59690 19.06230 17.41096 1.000 38.41595 O ? A ? 29 OE2 1
   ATOM 220 N . GLY A 33 ? -0.04756 20.63489 12.64526 1.000 14.95991 N ? A ? 30 N 1
   ATOM 221 CA . GLY A 33 ? 0.45946 20.39889 11.32443 1.000 14.48786 C ? A ? 30 CA 1
   ATOM 222 C . GLY A 33 ? 1.93243 20.07342 11.37479 1.000 15.65777 C ? A ? 30 C 1
   ATOM 223 O . GLY A 33 ? 2.40719 19.37922 12.28197 1.000 15.45898 O ? A ? 30 O 1
   ATOM 224 N . GLU A 34 ? 2.67342 20.63329 10.44210 1.000 16.71146 N ? A ? 31 N 1
   ATOM 225 CA . GLU A 34 ? 4.06418 20.26489 10.31075 1.000 19.18216 C ? A ? 31 CA 1
   ATOM 226 C . GLU A 34 ? 4.83904 21.41766 9.70669 1.000 20.71802 C ? A ? 31 C 1
   ATOM 227 O . GLU A 34 ? 4.26387 22.28891 9.04095 1.000 15.22289 O ? A ? 31 O 1
   ATOM 228 CB . GLU A 34 ? 4.20017 18.99541 9.46010 1.000 22.19795 C ? A ? 31 CB 1
   ATOM 229 CG . GLU A 34 ? 3.89056 19.19085 7.98912 1.000 22.12628 C ? A ? 31 CG 1
   ATOM 230 CD . GLU A 34 ? 3.86840 17.86291 7.22148 1.000 32.88570 C ? A ? 31 CD 1
   ATOM 231 OE1 . GLU A 34 ? 3.83586 17.86484 5.97676 1.000 41.20774 O ? A ? 31 OE1 1
   ATOM 232 OE2 . GLU A 34 ? 3.89129 16.81103 7.87264 1.000 37.69503 O ? A ? 31 OE2 1
   ATOM 233 N . GLY A 35 ? 6.14783 21.39472 9.94133 1.000 16.13352 N ? A ? 32 N 1
   ATOM 234 CA . GLY A 35 ? 7.04486 22.39099 9.40113 1.000 18.07147 C ? A ? 32 CA 1
   ATOM 235 C . GLY A 35 ? 8.26043 21.73096 8.77444 1.000 21.32111 C ? A ? 32 C 1
   ATOM 236 O . GLY A 35 ? 8.68537 20.64795 9.16739 1.000 19.99489 O ? A ? 32 O 1
   ATOM 237 N . ASP A 36 ? 8.81098 22.39401 7.78080 1.000 22.43553 N ? A ? 33 N 1
   ATOM 238 CA . ASP A 36 ? 9.92316 21.81383 7.01053 1.000 21.89591 C ? A ? 33 CA 1
   ATOM 239 C . ASP A 36 ? 10.87370 22.96204 6.72457 1.000 21.58326 C ? A ? 33 C 1
   ATOM 240 O . ASP A 36 ? 10.61938 23.77228 5.82261 1.000 23.49309 O ? A ? 33 O 1
   ATOM 241 CB . ASP A 36 ? 9.44337 21.12941 5.73022 1.000 24.29876 C ? A ? 33 CB 1
   ATOM 242 CG . ASP A 36 ? 10.56092 20.86535 4.72795 1.000 30.72109 C ? A ? 33 CG 1
   ATOM 243 OD1 . ASP A 36 ? 11.75850 20.95578 5.08376 1.000 29.94923 O ? A ? 33 OD1 1
   ATOM 244 OD2 . ASP A 36 ? 10.22274 20.59268 3.54861 1.000 32.51262 O ? A ? 33 OD2 1
   ATOM 245 N . ALA A 37 ? 11.95386 23.01268 7.51619 1.000 17.14457 N ? A ? 34 N 1
   ATOM 246 CA . ALA A 37 ? 12.91628 24.09687 7.55912 1.000 19.89333 C ? A ? 34 CA 1
   ATOM 247 C . ALA A 37 ? 13.81652 24.15863 6.31680 1.000 24.92217 C ? A ? 34 C 1
   ATOM 248 O . ALA A 37 ? 14.40046 25.22352 6.08639 1.000 23.62230 O ? A ? 34 O 1
   ATOM 249 CB . ALA A 37 ? 13.76343 24.00460 8.83566 1.000 19.81971 C ? A ? 34 CB 1
   ATOM 250 N . THR A 38 ? 13.85107 23.11339 5.46118 1.000 26.46733 N ? A ? 35 N 1
   ATOM 251 CA . THR A 38 ? 14.79981 23.09784 4.34530 1.000 32.64108 C ? A ? 35 CA 1
   ATOM 252 C . THR A 38 ? 14.38663 24.10121 3.26952 1.000 33.60996 C ? A ? 35 C 1
   ATOM 253 O . THR A 38 ? 15.10971 24.30762 2.30974 1.000 42.82355 O ? A ? 35 O 1
   ATOM 254 CB . THR A 38 ? 14.90793 21.69161 3.75084 1.000 33.70561 C ? A ? 35 CB 1
   ATOM 255 OG1 . THR A 38 ? 13.64792 21.36646 3.16650 1.000 35.55152 O ? A ? 35 OG1 1
   ATOM 256 CG2 . THR A 38 ? 15.33680 20.75824 4.79195 1.000 29.28429 C ? A ? 35 CG2 1
   ATOM 257 N . ASN A 39 ? 13.15779 24.56934 3.29366 1.000 37.65021 N ? A ? 36 N 1
   ATOM 258 CA . ASN A 39 ? 12.75768 25.71455 2.49188 1.000 40.57029 C ? A ? 36 CA 1
   ATOM 259 C . ASN A 39 ? 11.57493 26.41477 3.11115 1.000 36.04602 C ? A ? 36 C 1
   ATOM 260 O . ASN A 39 ? 10.67660 26.83832 2.41063 1.000 26.95357 O ? A ? 36 O 1
   ATOM 261 CB . ASN A 39 ? 12.32321 25.22196 1.10079 1.000 44.06831 C ? A ? 36 CB 1
   ATOM 262 CG . ASN A 39 ? 11.52832 23.94655 1.23190 1.000 45.43825 C ? A ? 36 CG 1
   ATOM 263 OD1 . ASN A 39 ? 10.39114 24.04685 1.74772 1.000 45.67400 O ? A ? 36 OD1 1
   ATOM 264 ND2 . ASN A 39 ? 12.20526 22.77876 1.12094 1.000 47.67524 N ? A ? 36 ND2 1
   ATOM 265 N . GLY A 40 ? 11.46360 26.34038 4.38721 1.000 27.34772 N ? A ? 37 N 1
   ATOM 266 CA . GLY A 40 ? 10.76316 27.29133 5.15337 1.000 18.31417 C ? A ? 37 CA 1
   ATOM 267 C . GLY A 40 ? 9.29057 27.19116 5.04927 1.000 25.17592 C ? A ? 37 C 1
   ATOM 268 O . GLY A 40 ? 8.67501 28.21431 5.26744 1.000 22.04413 O ? A ? 37 O 1
   ATOM 269 N . LYS A 41 ? 8.69928 25.98756 4.90574 1.000 19.65846 N ? A ? 38 N 1
   ATOM 270 CA . LYS A 41 ? 7.26038 25.81192 4.69894 1.000 22.82714 C ? A ? 38 CA 1
   ATOM 271 C . LYS A 41 ? 6.57784 25.29487 5.96227 1.000 19.95032 C ? A ? 38 C 1
   ATOM 272 O . LYS A 41 ? 7.04162 24.33109 6.59002 1.000 21.48219 O ? A ? 38 O 1
   ATOM 273 CB . LYS A 41 ? 6.99070 24.85336 3.52880 1.000 25.07879 C ? A ? 38 CB 1
   ATOM 274 CG . LYS A 41 ? 5.53425 24.51415 3.34126 1.000 26.13966 C ? A ? 38 CG 1
   ATOM 275 CD . LYS A 41 ? 5.14944 23.70413 2.07762 1.000 27.06698 C ? A ? 38 CD 1
   ATOM 276 CE . LYS A 41 ? 5.89083 22.42561 1.96909 1.000 37.97507 C ? A ? 38 CE 1
   ATOM 277 NZ . LYS A 41 ? 5.48746 21.75365 0.68503 1.000 35.43824 N ? A ? 38 NZ 1
   ATOM 278 N . LEU A 42 ? 5.43781 25.88803 6.28843 1.000 16.90837 N ? A ? 39 N 1
   ATOM 279 CA . LEU A 42 ? 4.60575 25.45783 7.39291 1.000 16.37893 C ? A ? 39 CA 1
   ATOM 280 C . LEU A 42 ? 3.26167 25.11842 6.80205 1.000 20.79405 C ? A ? 39 C 1
   ATOM 281 O . LEU A 42 ? 2.74480 25.88265 5.99045 1.000 23.21497 O ? A ? 39 O 1
   ATOM 282 CB . LEU A 42 ? 4.40444 26.57600 8.42681 1.000 19.09909 C ? A ? 39 CB 1
   ATOM 283 CG . LEU A 42 ? 5.57048 27.26348 9.07236 1.000 20.17779 C ? A ? 39 CG 1
   ATOM 284 CD1 . LEU A 42 ? 5.14981 28.50222 9.88650 1.000 26.99190 C ? A ? 39 CD1 1
   ATOM 285 CD2 . LEU A 42 ? 6.27829 26.25079 9.94133 1.000 20.32819 C ? A ? 39 CD2 1
   ATOM 286 N . THR A 43 ? 2.66906 24.02573 7.25309 1.000 19.29797 N ? A ? 40 N 1
   ATOM 287 CA . THR A 43 ? 1.31057 23.64512 6.88135 1.000 22.23839 C ? A ? 40 CA 1
   ATOM 288 C . THR A 43 ? 0.57595 23.35388 8.17857 1.000 21.64965 C ? A ? 40 C 1
   ATOM 289 O . THR A 43 ? 0.95691 22.42229 8.89892 1.000 21.83073 O ? A ? 40 O 1
   ATOM 290 CB . THR A 43 ? 1.33109 22.40852 5.96791 1.000 31.08920 C ? A ? 40 CB 1
   ATOM 291 OG1 . THR A 43 ? 2.28055 21.45568 6.46454 1.000 31.89578 O ? A ? 40 OG1 1
   ATOM 292 CG2 . THR A 43 ? 1.78022 22.79753 4.57079 1.000 32.75506 C ? A ? 40 CG2 1
   ATOM 293 N . LEU A 44 ? -0.44622 24.15215 8.49368 1.000 22.96660 N ? A ? 41 N 1
   ATOM 294 CA . LEU A 44 ? -1.14850 24.05965 9.77727 1.000 15.55172 C ? A ? 41 CA 1
   ATOM 295 C . LEU A 44 ? -2.62526 24.34986 9.62461 1.000 17.70118 C ? A ? 41 C 1
   ATOM 296 O . LEU A 44 ? -3.03167 25.07856 8.72022 1.000 21.52602 O ? A ? 41 O 1
   ATOM 297 CB . LEU A 44 ? -0.62780 25.06060 10.80046 1.000 19.39845 C ? A ? 41 CB 1
   ATOM 298 CG . LEU A 44 ? 0.86782 24.93807 11.07244 1.000 13.33731 C ? A ? 41 CG 1
   ATOM 299 CD1 . LEU A 44 ? 1.40158 26.27911 11.46964 1.000 19.72298 C ? A ? 41 CD1 1
   ATOM 300 CD2 . LEU A 44 ? 0.97953 23.98206 12.21872 1.000 18.00404 C ? A ? 41 CD2 1
   ATOM 301 N . LYS A 45 ? -3.42115 23.78465 10.55531 1.000 17.59418 N ? A ? 42 N 1
   ATOM 302 CA . LYS A 45 ? -4.83473 24.07036 10.72338 1.000 21.00250 C ? A ? 42 CA 1
   ATOM 303 C . LYS A 45 ? -5.10985 24.46046 12.16872 1.000 19.20697 C ? A ? 42 C 1
   ATOM 304 O . LYS A 45 ? -4.76036 23.73722 13.10927 1.000 19.35693 O ? A ? 42 O 1
   ATOM 305 CB . LYS A 45 ? -5.72208 22.86958 10.32623 1.000 23.30957 C ? A ? 42 CB 1
   ATOM 306 CG . LYS A 45 ? -5.39099 21.58420 11.07785 1.000 34.39651 C ? A ? 42 CG 1
   ATOM 307 CD . LYS A 45 ? -6.03085 20.34727 10.42284 1.000 43.91633 C ? A ? 42 CD 1
   ATOM 308 CE . LYS A 45 ? -5.13028 19.63846 9.40930 1.000 46.21129 C ? A ? 42 CE 1
   ATOM 309 NZ . LYS A 45 ? -5.94778 18.58162 8.72133 1.000 50.04808 N ? A ? 42 NZ 1
   ATOM 310 N . PHE A 46 ? -5.71178 25.61881 12.32785 1.000 18.12166 N ? A ? 43 N 1
   ATOM 311 CA . PHE A 46 ? -6.01565 26.18560 13.62882 1.000 17.06444 C ? A ? 43 CA 1
   ATOM 312 C . PHE A 46 ? -7.52363 26.12701 13.80984 1.000 18.38418 C ? A ? 43 C 1
   ATOM 313 O . PHE A 46 ? -8.26251 26.45604 12.87935 1.000 19.92747 O ? A ? 43 O 1
   ATOM 314 CB . PHE A 46 ? -5.51800 27.64797 13.71684 1.000 16.94719 C ? A ? 43 CB 1
   ATOM 315 CG . PHE A 46 ? -3.99557 27.78338 13.58201 1.000 16.14433 C ? A ? 43 CG 1
   ATOM 316 CD1 . PHE A 46 ? -3.22355 27.67113 14.71195 1.000 12.96534 C ? A ? 43 CD1 1
   ATOM 317 CD2 . PHE A 46 ? -3.35355 28.02265 12.35840 1.000 17.19873 C ? A ? 43 CD2 1
   ATOM 318 CE1 . PHE A 46 ? -1.84722 27.79113 14.62991 1.000 14.43777 C ? A ? 43 CE1 1
   ATOM 319 CE2 . PHE A 46 ? -1.97642 28.13046 12.25097 1.000 17.12540 C ? A ? 43 CE2 1
   ATOM 320 CZ . PHE A 46 ? -1.23910 27.99624 13.39705 1.000 15.13464 C ? A ? 43 CZ 1
   ATOM 321 N . ILE A 47 ? -7.94786 25.70410 14.99326 1.000 17.86584 N ? A ? 44 N 1
   ATOM 322 CA . ILE A 47 ? -9.34380 25.66728 15.39824 1.000 22.04950 C ? A ? 44 CA 1
   ATOM 323 C . ILE A 47 ? -9.51040 26.54055 16.62819 1.000 19.35405 C ? A ? 44 C 1
   ATOM 324 O . ILE A 47 ? -8.67336 26.51180 17.54070 1.000 20.28764 O ? A ? 44 O 1
   ATOM 325 CB . ILE A 47 ? -9.78300 24.22249 15.70464 1.000 26.55595 C ? A ? 44 CB 1
   ATOM 326 CG1 . ILE A 47 ? -9.79877 23.39973 14.42111 1.000 27.86624 C ? A ? 44 CG1 1
   ATOM 327 CG2 . ILE A 47 ? -11.13264 24.18074 16.46073 1.000 23.10847 C ? A ? 44 CG2 1
   ATOM 328 CD1 . ILE A 47 ? -10.16882 21.96351 14.70249 1.000 35.64343 C ? A ? 44 CD1 1
   ATOM 329 N . CYS A 48 ? -10.59693 27.30094 16.67681 1.000 18.16157 N ? A ? 45 N 1
   ATOM 330 CA . CYS A 48 ? -10.99327 27.94550 17.91680 1.000 19.10894 C ? A ? 45 CA 1
   ATOM 331 C . CYS A 48 ? -11.89022 26.98089 18.68033 1.000 27.43094 C ? A ? 45 C 1
   ATOM 332 O . CYS A 48 ? -13.01303 26.67902 18.24996 1.000 25.00197 O ? A ? 45 O 1
   ATOM 333 CB . CYS A 48 ? -11.69179 29.28502 17.67959 1.000 30.68127 C ? A ? 45 CB 1
   ATOM 334 SG . CYS A 48 ? -12.13843 30.10009 19.24037 1.000 53.53806 S ? A ? 45 SG 1
   ATOM 335 N . THR A 49 ? -11.37979 26.50698 19.79968 1.000 24.13877 N ? A ? 46 N 1
   ATOM 336 CA . THR A 49 ? -11.92384 25.40929 20.58131 1.000 29.36870 C ? A ? 46 CA 1
   ATOM 337 C . THR A 49 ? -12.95143 25.88106 21.59371 1.000 37.11358 C ? A ? 46 C 1
   ATOM 338 O . THR A 49 ? -13.55086 25.05618 22.28400 1.000 32.47112 O ? A ? 46 O 1
   ATOM 339 CB . THR A 49 ? -10.78515 24.67049 21.31353 1.000 26.18049 C ? A ? 46 CB 1
   ATOM 340 OG1 . THR A 49 ? -10.13255 25.56655 22.22224 1.000 31.31321 O ? A ? 46 OG1 1
   ATOM 341 CG2 . THR A 49 ? -9.77523 24.09663 20.32094 1.000 26.61968 C ? A ? 46 CG2 1
   ATOM 342 N . THR A 50 ? -13.14632 27.18926 21.70962 1.000 29.89439 N ? A ? 47 N 1
   ATOM 343 CA . THR A 50 ? -14.07983 27.76448 22.66308 1.000 26.98827 C ? A ? 47 CA 1
   ATOM 344 C . THR A 50 ? -15.27248 28.37593 21.95453 1.000 29.71678 C ? A ? 47 C 1
   ATOM 345 O . THR A 50 ? -16.11345 29.02812 22.59081 1.000 29.22664 O ? A ? 47 O 1
   ATOM 346 CB . THR A 50 ? -13.36112 28.80648 23.50745 1.000 31.22298 C ? A ? 47 CB 1
   ATOM 347 OG1 . THR A 50 ? -12.62700 29.66806 22.62222 1.000 25.35583 O ? A ? 47 OG1 1
   ATOM 348 CG2 . THR A 50 ? -12.41874 28.12116 24.46245 1.000 29.38925 C ? A ? 47 CG2 1
   ATOM 349 N . GLY A 51 ? -15.36721 28.15986 20.65651 1.000 28.56895 N ? A ? 48 N 1
   ATOM 350 CA . GLY A 51 ? -16.47730 28.65213 19.87837 1.000 28.42489 C ? A ? 48 CA 1
   ATOM 351 C . GLY A 51 ? -15.96894 29.49414 18.73199 1.000 27.33558 C ? A ? 48 C 1
   ATOM 352 O . GLY A 51 ? -15.13615 29.04979 17.93411 1.000 35.74852 O ? A ? 48 O 1
   ATOM 353 N . LYS A 52 ? -16.43835 30.73016 18.68089 1.000 24.33591 N ? A ? 49 N 1
   ATOM 354 CA . LYS A 52 ? -16.08079 31.68045 17.65132 1.000 29.72972 C ? A ? 49 CA 1
   ATOM 355 C . LYS A 52 ? -14.92957 32.56433 18.11395 1.000 19.95280 C ? A ? 49 C 1
   ATOM 356 O . LYS A 52 ? -14.86606 32.97530 19.28340 1.000 20.59496 O ? A ? 49 O 1
   ATOM 357 CB . LYS A 52 ? -17.29900 32.53745 17.30910 1.000 26.55686 C ? A ? 49 CB 1
   ATOM 358 CG . LYS A 52 ? -17.04677 33.60283 16.28420 1.000 29.37456 C ? A ? 49 CG 1
   ATOM 359 CD . LYS A 52 ? -18.28834 34.40928 16.03505 1.000 34.86869 C ? A ? 49 CD 1
   ATOM 360 CE . LYS A 52 ? -18.38835 34.72918 14.56380 1.000 45.88079 C ? A ? 49 CE 1
   ATOM 361 NZ . LYS A 52 ? -19.63297 35.45871 14.24186 1.000 46.17894 N ? A ? 49 NZ 1
   ATOM 362 N . LEU A 53 ? -13.98731 32.79101 17.19841 1.000 25.80886 N ? A ? 50 N 1
   ATOM 363 CA . LEU A 53 ? -12.89819 33.72511 17.43658 1.000 22.95286 C ? A ? 50 CA 1
   ATOM 364 C . LEU A 53 ? -13.47910 35.12453 17.57329 1.000 19.57887 C ? A ? 50 C 1
   ATOM 365 O . LEU A 53 ? -14.19917 35.55406 16.67075 1.000 22.74489 O ? A ? 50 O 1
   ATOM 366 CB . LEU A 53 ? -11.93255 33.70889 16.25703 1.000 26.26331 C ? A ? 50 CB 1
   ATOM 367 CG . LEU A 53 ? -10.49449 33.30317 16.50117 1.000 30.96301 C ? A ? 50 CG 1
   ATOM 368 CD1 . LEU A 53 ? -9.61602 33.96671 15.47139 1.000 19.27094 C ? A ? 50 CD1 1
   ATOM 369 CD2 . LEU A 53 ? -10.07714 33.60542 17.93066 1.000 23.28398 C ? A ? 50 CD2 1
   ATOM 370 N . PRO A 54 ? -13.18750 35.85504 18.64198 1.000 19.81973 N ? A ? 51 N 1
   ATOM 371 CA . PRO A 54 ? -13.71485 37.23089 18.75850 1.000 22.66500 C ? A ? 51 CA 1
   ATOM 372 C . PRO A 54 ? -12.86344 38.26868 18.04342 1.000 24.22160 C ? A ? 51 C 1
   ATOM 373 O . PRO A 54 ? -13.21219 39.45608 18.04771 1.000 28.52473 O ? A ? 51 O 1
   ATOM 374 CB . PRO A 54 ? -13.73296 37.46602 20.27804 1.000 23.57683 C ? A ? 51 CB 1
   ATOM 375 CG . PRO A 54 ? -12.57352 36.63194 20.76006 1.000 31.47571 C ? A ? 51 CG 1
   ATOM 376 CD . PRO A 54 ? -12.57122 35.39713 19.89539 1.000 22.84357 C ? A ? 51 CD 1
   ATOM 377 N . VAL A 55 ? -11.78881 37.82669 17.40573 1.000 20.14748 N ? A ? 52 N 1
   ATOM 378 CA . VAL A 55 ? -10.92125 38.69422 16.60800 1.000 22.20540 C ? A ? 52 CA 1
   ATOM 379 C . VAL A 55 ? -10.74142 38.06024 15.25975 1.000 24.04406 C ? A ? 52 C 1
   ATOM 380 O . VAL A 55 ? -11.00217 36.84463 15.08175 1.000 18.78532 O ? A ? 52 O 1
   ATOM 381 CB . VAL A 55 ? -9.56878 38.94770 17.34894 1.000 16.16288 C ? A ? 52 CB 1
   ATOM 382 CG1 . VAL A 55 ? -9.77914 39.61975 18.66975 1.000 18.98762 C ? A ? 52 CG1 1
   ATOM 383 CG2 . VAL A 55 ? -8.75781 37.64355 17.50844 1.000 18.79014 C ? A ? 52 CG2 1
   ATOM 384 N . PRO A 56 ? -10.33683 38.82182 14.22285 1.000 17.27932 N ? A ? 53 N 1
   ATOM 385 CA . PRO A 56 ? -10.05324 38.23990 12.89624 1.000 14.38325 C ? A ? 53 CA 1
   ATOM 386 C . PRO A 56 ? -8.87197 37.28194 12.90449 1.000 23.16750 C ? A ? 53 C 1
   ATOM 387 O . PRO A 56 ? -7.79777 37.61315 13.40198 1.000 16.80566 O ? A ? 53 O 1
   ATOM 388 CB . PRO A 56 ? -9.76337 39.45569 11.99827 1.000 21.99876 C ? A ? 53 CB 1
   ATOM 389 CG . PRO A 56 ? -10.31952 40.62309 12.70821 1.000 21.67279 C ? A ? 53 CG 1
   ATOM 390 CD . PRO A 56 ? -10.28279 40.30727 14.19131 1.000 19.12149 C ? A ? 53 CD 1
   ATOM 391 N . TRP A 57 ? -9.03974 36.11976 12.27425 1.000 16.93159 N ? A ? 54 N 1
   ATOM 392 CA . TRP A 57 ? -7.90456 35.19730 12.14659 1.000 15.95004 C ? A ? 54 CA 1
   ATOM 393 C . TRP A 57 ? -6.61357 35.84740 11.65010 1.000 18.77100 C ? A ? 54 C 1
   ATOM 394 O . TRP A 57 ? -5.54280 35.54866 12.21183 1.000 17.35328 O ? A ? 54 O 1
   ATOM 395 CB . TRP A 57 ? -8.28052 34.02274 11.22701 1.000 18.24368 C ? A ? 54 CB 1
   ATOM 396 CG . TRP A 57 ? -9.17359 33.05242 11.92348 1.000 22.51019 C ? A ? 54 CG 1
   ATOM 397 CD1 . TRP A 57 ? -10.54361 32.92156 11.78630 1.000 23.95243 C ? A ? 54 CD1 1
   ATOM 398 CD2 . TRP A 57 ? -8.77310 32.09297 12.90587 1.000 22.56578 C ? A ? 54 CD2 1
   ATOM 399 NE1 . TRP A 57 ? -10.99481 31.92408 12.61898 1.000 27.24757 N ? A ? 54 NE1 1
   ATOM 400 CE2 . TRP A 57 ? -9.93175 31.39530 13.30808 1.000 25.80817 C ? A ? 54 CE2 1
   ATOM 401 CE3 . TRP A 57 ? -7.54058 31.74010 13.47379 1.000 25.50788 C ? A ? 54 CE3 1
   ATOM 402 CZ2 . TRP A 57 ? -9.89600 30.37959 14.25836 1.000 27.46944 C ? A ? 54 CZ2 1
   ATOM 403 CZ3 . TRP A 57 ? -7.51435 30.72912 14.42964 1.000 24.66830 C ? A ? 54 CZ3 1
   ATOM 404 CH2 . TRP A 57 ? -8.68740 30.06066 14.80441 1.000 28.44464 C ? A ? 54 CH2 1
   ATOM 405 N . PRO A 58 ? -6.61634 36.74745 10.66373 1.000 18.60688 N ? A ? 55 N 1
   ATOM 406 CA . PRO A 58 ? -5.31779 37.29078 10.21913 1.000 12.20035 C ? A ? 55 CA 1
   ATOM 407 C . PRO A 58 ? -4.57342 38.06759 11.31753 1.000 13.86641 C ? A ? 55 C 1
   ATOM 408 O . PRO A 58 ? -3.32600 38.10429 11.25129 1.000 13.94473 O ? A ? 55 O 1
   ATOM 409 CB . PRO A 58 ? -5.67307 38.21357 9.03344 1.000 16.84847 C ? A ? 55 CB 1
   ATOM 410 CG . PRO A 58 ? -7.02663 37.64510 8.53592 1.000 21.09698 C ? A ? 55 CG 1
   ATOM 411 CD . PRO A 58 ? -7.72492 37.14241 9.75677 1.000 19.36439 C ? A ? 55 CD 1
   ATOM 412 N . THR A 59 ? -5.25402 38.60064 12.33556 1.000 14.33041 N ? A ? 56 N 1
   ATOM 413 CA . THR A 59 ? -4.55655 39.35347 13.38170 1.000 13.79017 C ? A ? 56 CA 1
   ATOM 414 C . THR A 59 ? -3.75583 38.43943 14.30890 1.000 13.53464 C ? A ? 56 C 1
   ATOM 415 O . THR A 59 ? -2.87740 38.94458 15.03654 1.000 14.34349 O ? A ? 56 O 1
   ATOM 416 CB . THR A 59 ? -5.47284 40.21935 14.25259 1.000 18.02299 C ? A ? 56 CB 1
   ATOM 417 OG1 . THR A 59 ? -6.23411 39.41069 15.15684 1.000 16.23879 O ? A ? 56 OG1 1
   ATOM 418 CG2 . THR A 59 ? -6.38909 41.14375 13.39910 1.000 16.51497 C ? A ? 56 CG2 1
   ATOM 419 N . LEU A 60 ? -4.01741 37.13596 14.26589 1.000 12.95865 N ? A ? 57 N 1
   ATOM 420 CA . LEU A 60 ? -3.31987 36.17009 15.11741 1.000 15.22612 C ? A ? 57 CA 1
   ATOM 421 C . LEU A 60 ? -2.20610 35.41204 14.40661 1.000 14.47576 C ? A ? 57 C 1
   ATOM 422 O . LEU A 60 ? -1.51800 34.61576 15.07181 1.000 12.55006 O ? A ? 57 O 1
   ATOM 423 CB . LEU A 60 ? -4.27372 35.14341 15.72323 1.000 15.36284 C ? A ? 57 CB 1
   ATOM 424 CG . LEU A 60 ? -5.42510 35.68378 16.57584 1.000 16.81282 C ? A ? 57 CG 1
   ATOM 425 CD1 . LEU A 60 ? -6.29418 34.53053 17.11904 1.000 20.25400 C ? A ? 57 CD1 1
   ATOM 426 CD2 . LEU A 60 ? -4.87760 36.50187 17.70157 1.000 17.42213 C ? A ? 57 CD2 1
   ATOM 427 N . VAL A 61 ? -2.06290 35.58089 13.07749 1.000 12.48689 N ? A ? 58 N 1
   ATOM 428 CA . VAL A 61 ? -1.08145 34.80066 12.32703 1.000 11.44908 C ? A ? 58 CA 1
   ATOM 429 C . VAL A 61 ? 0.31520 35.01926 12.89224 1.000 13.50104 C ? A ? 58 C 1
   ATOM 430 O . VAL A 61 ? 1.08209 34.05986 13.05591 1.000 12.51764 O ? A ? 58 O 1
   ATOM 431 CB . VAL A 61 ? -1.13097 35.13747 10.82990 1.000 17.14619 C ? A ? 58 CB 1
   ATOM 432 CG1 . VAL A 61 ? 0.04148 34.47889 10.13837 1.000 12.49703 C ? A ? 58 CG1 1
   ATOM 433 CG2 . VAL A 61 ? -2.46594 34.67047 10.22745 1.000 15.58389 C ? A ? 58 CG2 1
   ATOM 434 N . THR A 62 ? 0.71447 36.27410 13.10348 1.000 16.12217 N ? A ? 59 N 1
   ATOM 435 CA . THR A 62 ? 2.09357 36.45188 13.58252 1.000 12.88633 C ? A ? 59 CA 1
   ATOM 436 C . THR A 62 ? 2.31810 35.80888 14.95629 1.000 15.12191 C ? A ? 59 C 1
   ATOM 437 O . THR A 62 ? 3.43501 35.32167 15.23530 1.000 14.60910 O ? A ? 59 O 1
   ATOM 438 CB . THR A 62 ? 2.51161 37.92823 13.62639 1.000 15.71553 C ? A ? 59 CB 1
   ATOM 439 OG1 . THR A 62 ? 2.61897 38.44820 12.26512 1.000 16.99256 O ? A ? 59 OG1 1
   ATOM 440 CG2 . THR A 62 ? 3.84435 38.13979 14.37562 1.000 26.94794 C ? A ? 59 CG2 1
   ATOM 441 N . THR A 63 ? 1.30009 35.74067 15.82668 1.000 13.13726 N ? A ? 60 N 1
   ATOM 442 CA . THR A 63 ? 1.70797 35.13605 17.08594 1.000 14.37622 C ? A ? 60 CA 1
   ATOM 443 C . THR A 63 ? 1.61925 33.62412 17.03814 1.000 14.04003 C ? A ? 60 C 1
   ATOM 444 O . THR A 63 ? 2.44725 32.94867 17.69065 1.000 13.29557 O ? A ? 60 O 1
   ATOM 445 CB . THR A 63 ? 1.00620 35.77414 18.28438 1.000 34.02210 C ? A ? 60 CB 1
   ATOM 446 OG1 . THR A 63 ? -0.15751 36.46355 17.89948 1.000 31.13181 O ? A ? 60 OG1 1
   ATOM 447 CG2 . THR A 63 ? 1.91769 36.87784 18.73151 1.000 36.74602 C ? A ? 60 CG2 1
   ATOM 448 N . LEU A 64 ? 0.66459 33.06528 16.27075 1.000 13.77741 N ? A ? 61 N 1
   ATOM 449 CA . LEU A 64 ? 0.60168 31.62575 16.10562 1.000 11.86316 C ? A ? 61 CA 1
   ATOM 450 C . LEU A 64 ? 1.81821 31.04316 15.37943 1.000 14.02260 C ? A ? 61 C 1
   ATOM 451 O . LEU A 64 ? 2.32453 29.95195 15.69745 1.000 14.96404 O ? A ? 61 O 1
   ATOM 452 CB . LEU A 64 ? -0.67486 31.22456 15.32944 1.000 16.20826 C ? A ? 61 CB 1
   ATOM 453 CG . LEU A 64 ? -2.01241 31.51995 15.94295 1.000 14.19805 C ? A ? 61 CG 1
   ATOM 454 CD1 . LEU A 64 ? -3.13891 31.44891 14.90324 1.000 12.79599 C ? A ? 61 CD1 1
   ATOM 455 CD2 . LEU A 64 ? -2.24705 30.65904 17.21275 1.000 14.54500 C ? A ? 61 CD2 1
   ATOM 456 N . VAL A 68 ? 6.69781 30.37889 14.68822 1.000 18.11849 N ? A ? 62 N 1
   ATOM 457 CA . VAL A 68 ? 7.60760 29.26970 14.94757 1.000 12.31138 C ? A ? 62 CA 1
   ATOM 458 C . VAL A 68 ? 8.78498 29.50975 13.99638 1.000 16.98031 C ? A ? 62 C 1
   ATOM 459 O . VAL A 68 ? 9.00121 28.76379 13.04281 1.000 15.28630 O ? A ? 62 O 1
   ATOM 460 CB . VAL A 68 ? 6.92830 27.88671 14.75029 1.000 16.46171 C ? A ? 62 CB 1
   ATOM 461 CG1 . VAL A 68 ? 6.01769 27.60244 15.95504 1.000 12.75379 C ? A ? 62 CG1 1
   ATOM 462 CG2 . VAL A 68 ? 6.17456 27.76050 13.36182 1.000 13.48755 C ? A ? 62 CG2 1
   ATOM 463 N . LEU A 69 ? 9.47500 30.63681 14.22077 1.000 13.91102 N ? A ? 63 N 1
   ATOM 464 CA . LEU A 69 ? 10.57172 31.09152 13.33501 1.000 14.18760 C ? A ? 63 CA 1
   ATOM 465 C . LEU A 69 ? 11.75732 30.13195 13.22936 1.000 17.68544 C ? A ? 63 C 1
   ATOM 466 O . LEU A 69 ? 12.64303 30.35243 12.37754 1.000 17.82276 O ? A ? 63 O 1
   ATOM 467 CB . LEU A 69 ? 11.05179 32.46677 13.80741 1.000 16.01584 C ? A ? 63 CB 1
   ATOM 468 CG . LEU A 69 ? 9.92103 33.49581 13.79645 1.000 13.55539 C ? A ? 63 CG 1
   ATOM 469 CD1 . LEU A 69 ? 10.37161 34.84242 14.38489 1.000 13.71098 C ? A ? 63 CD1 1
   ATOM 470 CD2 . LEU A 69 ? 9.35594 33.65250 12.41580 1.000 19.52518 C ? A ? 63 CD2 1
   ATOM 471 N . CYS A 70 ? 11.80479 29.08705 14.05106 1.000 15.36558 N ? A ? 64 N 1
   ATOM 472 CA . CYS A 70 ? 12.83777 28.06469 13.87643 1.000 14.39987 C ? A ? 64 CA 1
   ATOM 473 C . CYS A 70 ? 12.64152 27.25233 12.61074 1.000 14.00532 C ? A ? 64 C 1
   ATOM 474 O . CYS A 70 ? 13.55750 26.50831 12.25756 1.000 16.81165 O ? A ? 64 O 1
   ATOM 475 CB . CYS A 70 ? 12.87419 27.13772 15.07345 1.000 17.08670 C ? A ? 64 CB 1
   ATOM 476 SG . CYS A 70 ? 11.16499 26.55069 15.57893 1.000 30.03737 S ? A ? 64 SG 1
   ATOM 477 N . PHE A 71 ? 11.49345 27.36487 11.94844 1.000 14.62920 N ? A ? 65 N 1
   ATOM 478 CA . PHE A 71 ? 11.28603 26.73789 10.64074 1.000 14.00807 C ? A ? 65 CA 1
   ATOM 479 C . PHE A 71 ? 11.64570 27.61487 9.43886 1.000 20.11652 C ? A ? 65 C 1
   ATOM 480 O . PHE A 71 ? 11.42409 27.18379 8.30298 1.000 17.35914 O ? A ? 65 O 1
   ATOM 481 CB . PHE A 71 ? 9.82035 26.28652 10.53016 1.000 13.59825 C ? A ? 65 CB 1
   ATOM 482 CG . PHE A 71 ? 9.51076 25.13736 11.42653 1.000 16.96865 C ? A ? 65 CG 1
   ATOM 483 CD1 . PHE A 71 ? 10.00431 23.87662 11.10694 1.000 13.93113 C ? A ? 65 CD1 1
   ATOM 484 CD2 . PHE A 71 ? 8.78305 25.30874 12.62211 1.000 15.53866 C ? A ? 65 CD2 1
   ATOM 485 CE1 . PHE A 71 ? 9.76920 22.82066 11.92083 1.000 12.21929 C ? A ? 65 CE1 1
   ATOM 486 CE2 . PHE A 71 ? 8.52624 24.17190 13.47684 1.000 19.60415 C ? A ? 65 CE2 1
   ATOM 487 CZ . PHE A 71 ? 9.05588 22.94112 13.11559 1.000 17.40677 C ? A ? 65 CZ 1
   ATOM 488 N . ALA A 72 ? 12.16930 28.80527 9.66767 1.000 17.23607 N ? A ? 66 N 1
   ATOM 489 CA . ALA A 72 ? 12.66463 29.64313 8.58187 1.000 14.64282 C ? A ? 66 CA 1
   ATOM 490 C . ALA A 72 ? 13.78708 28.92664 7.85759 1.000 19.29974 C ? A ? 66 C 1
   ATOM 491 O . ALA A 72 ? 14.60013 28.24259 8.47254 1.000 18.18006 O ? A ? 66 O 1
   ATOM 492 CB . ALA A 72 ? 13.15923 30.97407 9.12252 1.000 14.82111 C ? A ? 66 CB 1
   ATOM 493 N . ARG A 73 ? 13.82007 29.06540 6.54004 1.000 18.41809 N ? A ? 67 N 1
   ATOM 494 CA . ARG A 73 ? 14.98043 28.58599 5.80031 1.000 22.92434 C ? A ? 67 CA 1
   ATOM 495 C . ARG A 73 ? 16.11192 29.59386 5.94526 1.000 19.78135 C ? A ? 67 C 1
   ATOM 496 O . ARG A 73 ? 15.99851 30.71308 5.44293 1.000 17.44206 O ? A ? 67 O 1
   ATOM 497 CB . ARG A 73 ? 14.60559 28.41878 4.34060 1.000 20.27361 C ? A ? 67 CB 1
   ATOM 498 CG . ARG A 73 ? 15.49162 27.36113 3.53950 1.000 32.79633 C ? A ? 67 CG 1
   ATOM 499 CD . ARG A 73 ? 15.99125 27.71254 2.15507 1.000 42.58807 C ? A ? 67 CD 1
   ATOM 500 NE . ARG A 73 ? 14.97345 28.25179 1.22965 1.000 43.32552 N ? A ? 67 NE 1
   ATOM 501 CZ . ARG A 73 ? 13.75700 27.71968 1.00886 1.000 52.22717 C ? A ? 67 CZ 1
   ATOM 502 NH1 . ARG A 73 ? 13.04106 27.02815 1.94054 1.000 49.42748 N ? A ? 67 NH1 1
   ATOM 503 NH2 . ARG A 73 ? 13.05618 28.08375 -0.06155 1.000 46.27171 N ? A ? 67 NH2 1
   ATOM 504 N . TYR A 74 ? 17.18039 29.20099 6.63145 1.000 21.59475 N ? A ? 68 N 1
   ATOM 505 CA . TYR A 74 ? 18.43608 29.92802 6.65872 1.000 26.29386 C ? A ? 68 CA 1
   ATOM 506 C . TYR A 74 ? 19.39018 29.29494 5.65974 1.000 33.41702 C ? A ? 68 C 1
   ATOM 507 O . TYR A 74 ? 19.83365 28.15141 5.87254 1.000 32.02894 O ? A ? 68 O 1
   ATOM 508 CB . TYR A 74 ? 19.03515 29.91645 8.05918 1.000 24.44452 C ? A ? 68 CB 1
   ATOM 509 CG . TYR A 74 ? 18.50349 31.04007 8.94956 1.000 19.83901 C ? A ? 68 CG 1
   ATOM 510 CD1 . TYR A 74 ? 17.25153 30.93723 9.57812 1.000 21.52643 C ? A ? 68 CD1 1
   ATOM 511 CD2 . TYR A 74 ? 19.22988 32.21705 9.15512 1.000 23.53691 C ? A ? 68 CD2 1
   ATOM 512 CE1 . TYR A 74 ? 16.76051 31.96245 10.38374 1.000 17.30295 C ? A ? 68 CE1 1
   ATOM 513 CE2 . TYR A 74 ? 18.73382 33.24568 9.95197 1.000 18.77170 C ? A ? 68 CE2 1
   ATOM 514 CZ . TYR A 74 ? 17.47093 33.09625 10.55927 1.000 19.15277 C ? A ? 68 CZ 1
   ATOM 515 OH . TYR A 74 ? 17.02128 34.08623 11.36319 1.000 17.86675 O ? A ? 68 OH 1
   ATOM 516 N . PRO A 75 ? 19.71771 29.98406 4.56675 1.000 25.70354 N ? A ? 69 N 1
   ATOM 517 CA . PRO A 75 ? 20.68683 29.44937 3.61281 1.000 33.39697 C ? A ? 69 CA 1
   ATOM 518 C . PRO A 75 ? 22.01801 29.20373 4.30438 1.000 29.59836 C ? A ? 69 C 1
   ATOM 519 O . PRO A 75 ? 22.31566 29.77848 5.35452 1.000 25.18503 O ? A ? 69 O 1
   ATOM 520 CB . PRO A 75 ? 20.79146 30.55346 2.55302 1.000 36.20249 C ? A ? 69 CB 1
   ATOM 521 CG . PRO A 75 ? 20.24354 31.82004 3.22220 1.000 32.20478 C ? A ? 69 CG 1
   ATOM 522 CD . PRO A 75 ? 19.24324 31.34149 4.21373 1.000 30.60331 C ? A ? 69 CD 1
   ATOM 523 N . ASP A 76 ? 22.82045 28.33123 3.68260 1.000 38.90190 N ? A ? 70 N 1
   ATOM 524 CA . ASP A 76 ? 24.05825 27.85892 4.29703 1.000 33.07549 C ? A ? 70 CA 1
   ATOM 525 C . ASP A 76 ? 24.97215 29.00879 4.66786 1.000 25.41016 C ? A ? 70 C 1
   ATOM 526 O . ASP A 76 ? 25.62105 28.98124 5.72082 1.000 25.56517 O ? A ? 70 O 1
   ATOM 527 CB . ASP A 76 ? 24.77993 26.89819 3.35143 1.000 43.87016 C ? A ? 70 CB 1
   ATOM 528 CG . ASP A 76 ? 24.17610 25.51452 3.36076 1.000 56.62963 C ? A ? 70 CG 1
   ATOM 529 OD1 . ASP A 76 ? 23.34233 25.21546 2.47921 1.000 58.06976 O ? A ? 70 OD1 1
   ATOM 530 OD2 . ASP A 76 ? 24.52598 24.72333 4.26202 1.000 58.90722 O ? A ? 70 OD2 1
   ATOM 531 N . HIS A 77 ? 25.02232 30.04837 3.83090 1.000 27.04733 N ? A ? 71 N 1
   ATOM 532 CA . HIS A 77 ? 25.92006 31.15344 4.15772 1.000 28.19095 C ? A ? 71 CA 1
   ATOM 533 C . HIS A 77 ? 25.46445 31.91785 5.38853 1.000 32.76746 C ? A ? 71 C 1
   ATOM 534 O . HIS A 77 ? 26.23741 32.70881 5.93529 1.000 26.80570 O ? A ? 71 O 1
   ATOM 535 CB . HIS A 77 ? 26.09007 32.09389 2.94671 1.000 30.50343 C ? A ? 71 CB 1
   ATOM 536 CG . HIS A 77 ? 24.84715 32.84411 2.54546 1.000 36.96381 C ? A ? 71 CG 1
   ATOM 537 ND1 . HIS A 77 ? 24.62177 34.15245 2.91834 1.000 41.46671 N ? A ? 71 ND1 1
   ATOM 538 CD2 . HIS A 77 ? 23.78375 32.48470 1.78258 1.000 36.29662 C ? A ? 71 CD2 1
   ATOM 539 CE1 . HIS A 77 ? 23.46533 34.55841 2.42525 1.000 38.03882 C ? A ? 71 CE1 1
   ATOM 540 NE2 . HIS A 77 ? 22.93462 33.56511 1.73347 1.000 34.59374 N ? A ? 71 NE2 1
   ATOM 541 N . MET A 78 ? 24.24784 31.65535 5.86846 1.000 26.00103 N ? A ? 72 N 1
   ATOM 542 CA . MET A 78 ? 23.69725 32.30042 7.05006 1.000 31.39792 C ? A ? 72 CA 1
   ATOM 543 C . MET A 78 ? 23.61496 31.34401 8.24741 1.000 31.67862 C ? A ? 72 C 1
   ATOM 544 O . MET A 78 ? 22.96790 31.65636 9.25391 1.000 26.91931 O ? A ? 72 O 1
   ATOM 545 CB . MET A 78 ? 22.32822 32.88422 6.68703 1.000 21.99035 C ? A ? 72 CB 1
   ATOM 546 CG . MET A 78 ? 22.44381 34.02265 5.68636 1.000 28.54663 C ? A ? 72 CG 1
   ATOM 547 SD . MET A 78 ? 20.87488 34.84600 5.31086 1.000 29.81580 S ? A ? 72 SD 1
   ATOM 548 CE . MET A 78 ? 20.63937 35.80630 6.80311 1.000 26.47006 C ? A ? 72 CE 1
   ATOM 549 N . LYS A 79 ? 24.30111 30.20235 8.16931 1.000 27.97935 N ? A ? 73 N 1
   ATOM 550 CA . LYS A 79 ? 24.22279 29.18726 9.22222 1.000 31.87108 C ? A ? 73 CA 1
   ATOM 551 C . LYS A 79 ? 24.55610 29.75674 10.60394 1.000 32.48637 C ? A ? 73 C 1
   ATOM 552 O . LYS A 79 ? 23.83875 29.49325 11.58118 1.000 33.67650 O ? A ? 73 O 1
   ATOM 553 CB . LYS A 79 ? 25.14565 28.01725 8.84926 1.000 36.33506 C ? A ? 73 CB 1
   ATOM 554 CG . LYS A 79 ? 25.78782 27.24660 10.00164 1.000 47.00591 C ? A ? 73 CG 1
   ATOM 555 CD . LYS A 79 ? 26.32485 25.90462 9.50665 1.000 50.41284 C ? A ? 73 CD 1
   ATOM 556 CE . LYS A 79 ? 27.13621 26.01883 8.23450 1.000 52.69047 C ? A ? 73 CE 1
   ATOM 557 NZ . LYS A 79 ? 27.34364 24.67617 7.61293 1.000 55.60631 N ? A ? 73 NZ 1
   ATOM 558 N . GLN A 80 ? 25.61421 30.56782 10.70855 1.000 26.57335 N ? A ? 74 N 1
   ATOM 559 CA . GLN A 80 ? 26.04137 31.14726 11.98061 1.000 31.76419 C ? A ? 74 CA 1
   ATOM 560 C . GLN A 80 ? 25.08403 32.20315 12.49637 1.000 24.49751 C ? A ? 74 C 1
   ATOM 561 O . GLN A 80 ? 25.39777 32.86435 13.49386 1.000 25.45030 O ? A ? 74 O 1
   ATOM 562 CB . GLN A 80 ? 27.42904 31.78734 11.85953 1.000 34.84409 C ? A ? 74 CB 1
   ATOM 563 CG . GLN A 80 ? 28.60586 30.83808 11.74433 1.000 40.35552 C ? A ? 74 CG 1
   ATOM 564 CD . GLN A 80 ? 28.36297 29.48739 12.39833 1.000 40.42292 C ? A ? 74 CD 1
   ATOM 565 OE1 . GLN A 80 ? 28.10217 29.38753 13.60248 1.000 34.15159 O ? A ? 74 OE1 1
   ATOM 566 NE2 . GLN A 80 ? 28.47385 28.43013 11.60327 1.000 43.80352 N ? A ? 74 NE2 1
   ATOM 567 N . HIS A 81 ? 23.95552 32.39681 11.81157 1.000 27.34351 N ? A ? 75 N 1
   ATOM 568 CA . HIS A 81 ? 23.02472 33.48590 12.09092 1.000 25.36947 C ? A ? 75 CA 1
   ATOM 569 C . HIS A 81 ? 21.63149 33.01875 12.48531 1.000 21.67740 C ? A ? 75 C 1
   ATOM 570 O . HIS A 81 ? 20.74058 33.86533 12.64652 1.000 25.28299 O ? A ? 75 O 1
   ATOM 571 CB . HIS A 81 ? 22.90913 34.39815 10.87402 1.000 30.05458 C ? A ? 75 CB 1
   ATOM 572 CG . HIS A 81 ? 24.18814 35.06505 10.52575 1.000 35.46672 C ? A ? 75 CG 1
   ATOM 573 ND1 . HIS A 81 ? 24.83075 35.92548 11.39284 1.000 32.38804 N ? A ? 75 ND1 1
   ATOM 574 CD2 . HIS A 81 ? 24.96577 34.97662 9.42250 1.000 38.43447 C ? A ? 75 CD2 1
   ATOM 575 CE1 . HIS A 81 ? 25.95572 36.33685 10.83414 1.000 42.14797 C ? A ? 75 CE1 1
   ATOM 576 NE2 . HIS A 81 ? 26.05445 35.78382 9.63631 1.000 44.22832 N ? A ? 75 NE2 1
   ATOM 577 N . ASP A 82 ? 21.41758 31.71475 12.63840 1.000 20.37479 N ? A ? 76 N 1
   ATOM 578 CA . ASP A 82 ? 20.08626 31.14141 12.94520 1.000 23.18633 C ? A ? 76 CA 1
   ATOM 579 C . ASP A 82 ? 19.91723 30.94816 14.46335 1.000 19.32782 C ? A ? 76 C 1
   ATOM 580 O . ASP A 82 ? 20.10237 29.85574 15.00926 1.000 22.22108 O ? A ? 76 O 1
   ATOM 581 CB . ASP A 82 ? 19.90643 29.84157 12.17517 1.000 19.27534 C ? A ? 76 CB 1
   ATOM 582 CG . ASP A 82 ? 18.51765 29.27700 12.28439 1.000 17.40070 C ? A ? 76 CG 1
   ATOM 583 OD1 . ASP A 82 ? 17.73153 29.74951 13.14742 1.000 19.16418 O ? A ? 76 OD1 1
   ATOM 584 OD2 . ASP A 82 ? 18.22768 28.33154 11.53549 1.000 18.28500 O ? A ? 76 OD2 1
   ATOM 585 N . PHE A 83 ? 19.49765 32.02048 15.14156 1.000 18.10625 N ? A ? 77 N 1
   ATOM 586 CA . PHE A 83 ? 19.33929 31.97604 16.59600 1.000 16.15982 C ? A ? 77 CA 1
   ATOM 587 C . PHE A 83 ? 18.25205 30.99184 17.00166 1.000 21.50533 C ? A ? 77 C 1
   ATOM 588 O . PHE A 83 ? 18.39655 30.24779 17.99470 1.000 21.57463 O ? A ? 77 O 1
   ATOM 589 CB . PHE A 83 ? 19.01087 33.39013 17.06895 1.000 19.45258 C ? A ? 77 CB 1
   ATOM 590 CG . PHE A 83 ? 18.31140 33.49588 18.37693 1.000 22.77382 C ? A ? 77 CG 1
   ATOM 591 CD1 . PHE A 83 ? 19.03824 33.73116 19.52449 1.000 24.71768 C ? A ? 77 CD1 1
   ATOM 592 CD2 . PHE A 83 ? 16.91600 33.50460 18.44890 1.000 25.75225 C ? A ? 77 CD2 1
   ATOM 593 CE1 . PHE A 83 ? 18.43276 33.95449 20.68416 1.000 33.42051 C ? A ? 77 CE1 1
   ATOM 594 CE2 . PHE A 83 ? 16.29057 33.71834 19.62436 1.000 34.88470 C ? A ? 77 CE2 1
   ATOM 595 CZ . PHE A 83 ? 17.04390 33.98105 20.74932 1.000 36.66716 C ? A ? 77 CZ 1
   ATOM 596 N . PHE A 84 ? 17.18928 30.92982 16.19912 1.000 19.26740 N ? A ? 78 N 1
   ATOM 597 CA . PHE A 84 ? 15.99967 30.16381 16.57150 1.000 14.74642 C ? A ? 78 CA 1
   ATOM 598 C . PHE A 84 ? 16.28092 28.66588 16.69779 1.000 22.94695 C ? A ? 78 C 1
   ATOM 599 O . PHE A 84 ? 15.85287 28.03157 17.67779 1.000 17.31577 O ? A ? 78 O 1
   ATOM 600 CB . PHE A 84 ? 14.89250 30.45585 15.55194 1.000 15.72337 C ? A ? 78 CB 1
   ATOM 601 CG . PHE A 84 ? 14.60503 31.94266 15.39811 1.000 19.05959 C ? A ? 78 CG 1
   ATOM 602 CD1 . PHE A 84 ? 13.89823 32.61431 16.36335 1.000 16.35203 C ? A ? 78 CD1 1
   ATOM 603 CD2 . PHE A 84 ? 15.06227 32.65690 14.32369 1.000 21.03598 C ? A ? 78 CD2 1
   ATOM 604 CE1 . PHE A 84 ? 13.62323 33.98368 16.26066 1.000 20.63887 C ? A ? 78 CE1 1
   ATOM 605 CE2 . PHE A 84 ? 14.78718 34.02416 14.22284 1.000 25.22100 C ? A ? 78 CE2 1
   ATOM 606 CZ . PHE A 84 ? 14.06858 34.67447 15.17973 1.000 26.52115 C ? A ? 78 CZ 1
   ATOM 607 N . LYS A 85 ? 17.02528 28.09117 15.74813 1.000 17.44546 N ? A ? 79 N 1
   ATOM 608 CA . LYS A 85 ? 17.35724 26.67366 15.85574 1.000 21.56875 C ? A ? 79 CA 1
   ATOM 609 C . LYS A 85 ? 18.47183 26.44458 16.86425 1.000 17.83100 C ? A ? 79 C 1
   ATOM 610 O . LYS A 85 ? 18.49852 25.40091 17.54004 1.000 19.06171 O ? A ? 79 O 1
   ATOM 611 CB . LYS A 85 ? 17.80292 26.10064 14.50323 1.000 15.47856 C ? A ? 79 CB 1
   ATOM 612 CG . LYS A 85 ? 16.72226 26.10952 13.45810 1.000 17.72341 C ? A ? 79 CG 1
   ATOM 613 CD . LYS A 85 ? 17.19723 25.40626 12.18208 1.000 19.93521 C ? A ? 79 CD 1
   ATOM 614 CE . LYS A 85 ? 16.21203 25.48979 10.98734 1.000 17.40313 C ? A ? 79 CE 1
   ATOM 615 NZ . LYS A 85 ? 15.88285 26.92755 10.62297 1.000 21.26814 N ? A ? 79 NZ 1
   ATOM 616 N . SER A 86 ? 19.37301 27.40812 17.00952 1.000 16.53036 N ? A ? 80 N 1
   ATOM 617 CA . SER A 86 ? 20.44987 27.24983 17.97647 1.000 17.79742 C ? A ? 80 CA 1
   ATOM 618 C . SER A 86 ? 19.90698 27.05167 19.38141 1.000 21.07053 C ? A ? 80 C 1
   ATOM 619 O . SER A 86 ? 20.55079 26.38273 20.20163 1.000 21.82492 O ? A ? 80 O 1
   ATOM 620 CB . SER A 86 ? 21.41184 28.46472 17.91291 1.000 18.57117 C ? A ? 80 CB 1
   ATOM 621 OG . SER A 86 ? 20.90175 29.57033 18.63008 1.000 20.19022 O ? A ? 80 OG 1
   ATOM 622 N . ALA A 87 ? 18.68774 27.55207 19.66853 1.000 19.84828 N ? A ? 81 N 1
   ATOM 623 CA . ALA A 87 ? 18.13104 27.37228 21.00153 1.000 18.24645 C ? A ? 81 CA 1
   ATOM 624 C . ALA A 87 ? 17.52462 26.03209 21.24792 1.000 15.80385 C ? A ? 81 C 1
   ATOM 625 O . ALA A 87 ? 17.04356 25.83466 22.35732 1.000 17.46776 O ? A ? 81 O 1
   ATOM 626 CB . ALA A 87 ? 17.01326 28.32998 21.26148 1.000 19.72534 C ? A ? 81 CB 1
   ATOM 627 N . MET A 88 ? 17.46593 25.19387 20.26952 1.000 17.06031 N ? A ? 82 N 1
   ATOM 628 CA . MET A 88 ? 16.70731 23.94867 20.34518 1.000 16.56991 C ? A ? 82 CA 1
   ATOM 629 C . MET A 88 ? 17.59730 22.77545 20.74545 1.000 18.62868 C ? A ? 82 C 1
   ATOM 630 O . MET A 88 ? 18.77254 22.73916 20.38878 1.000 22.36018 O ? A ? 82 O 1
   ATOM 631 CB . MET A 88 ? 16.05458 23.65661 19.00732 1.000 22.42636 C ? A ? 82 CB 1
   ATOM 632 CG . MET A 88 ? 15.04082 24.71227 18.59920 1.000 28.71352 C ? A ? 82 CG 1
   ATOM 633 SD . MET A 88 ? 13.65550 24.79758 19.76539 1.000 40.48599 S ? A ? 82 SD 1
   ATOM 634 CE . MET A 88 ? 12.90300 26.30969 19.16733 1.000 43.74954 C ? A ? 82 CE 1
   ATOM 635 N . PRO A 89 ? 17.09247 21.78719 21.46690 1.000 16.52964 N ? A ? 83 N 1
   ATOM 636 CA . PRO A 89 ? 15.68174 21.61477 21.85129 1.000 18.93166 C ? A ? 83 CA 1
   ATOM 637 C . PRO A 89 ? 15.12405 22.39060 23.06868 1.000 22.55080 C ? A ? 83 C 1
   ATOM 638 O . PRO A 89 ? 13.86286 22.36475 23.21753 1.000 14.55027 O ? A ? 83 O 1
   ATOM 639 CB . PRO A 89 ? 15.62329 20.10298 22.15887 1.000 18.79389 C ? A ? 83 CB 1
   ATOM 640 CG . PRO A 89 ? 16.99498 19.84476 22.86478 1.000 15.71874 C ? A ? 83 CG 1
   ATOM 641 CD . PRO A 89 ? 17.97367 20.77740 22.12000 1.000 21.63280 C ? A ? 83 CD 1
   ATOM 642 N . GLU A 90 ? 15.93500 23.03051 23.94144 1.000 15.50758 N ? A ? 84 N 1
   ATOM 643 CA . GLU A 90 ? 15.39452 23.71728 25.12725 1.000 18.15328 C ? A ? 84 CA 1
   ATOM 644 C . GLU A 90 ? 14.39167 24.79860 24.75217 1.000 13.63711 C ? A ? 84 C 1
   ATOM 645 O . GLU A 90 ? 13.37590 24.97116 25.43144 1.000 17.35361 O ? A ? 84 O 1
   ATOM 646 CB . GLU A 90 ? 16.50713 24.34962 25.96951 1.000 20.62058 C ? A ? 84 CB 1
   ATOM 647 CG . GLU A 90 ? 17.50896 23.36820 26.56264 1.000 23.28978 C ? A ? 84 CG 1
   ATOM 648 CD . GLU A 90 ? 18.82177 23.37350 25.80814 1.000 37.60372 C ? A ? 84 CD 1
   ATOM 649 OE1 . GLU A 90 ? 19.68866 24.22875 26.10714 1.000 37.40282 O ? A ? 84 OE1 1
   ATOM 650 OE2 . GLU A 90 ? 18.97532 22.54723 24.88350 1.000 41.40287 O ? A ? 84 OE2 1
   ATOM 651 N . GLY A 91 ? 14.62681 25.49946 23.67139 1.000 16.89437 N ? A ? 85 N 1
   ATOM 652 CA . GLY A 91 ? 13.63773 26.44561 23.19687 1.000 15.57920 C ? A ? 85 CA 1
   ATOM 653 C . GLY A 91 ? 13.93554 27.89483 23.57146 1.000 16.10212 C ? A ? 85 C 1
   ATOM 654 O . GLY A 91 ? 15.01783 28.27855 24.07009 1.000 16.69919 O ? A ? 85 O 1
   ATOM 655 N . TYR A 92 ? 12.93376 28.71895 23.26719 1.000 14.63808 N ? A ? 86 N 1
   ATOM 656 CA . TYR A 92 ? 13.02301 30.14630 23.45388 1.000 15.56313 C ? A ? 86 CA 1
   ATOM 657 C . TYR A 92 ? 11.67710 30.71655 23.83416 1.000 15.04846 C ? A ? 86 C 1
   ATOM 658 O . TYR A 92 ? 10.61977 30.15762 23.51867 1.000 14.93128 O ? A ? 86 O 1
   ATOM 659 CB . TYR A 92 ? 13.47556 30.91050 22.16083 1.000 16.57825 C ? A ? 86 CB 1
   ATOM 660 CG . TYR A 92 ? 14.87258 31.18543 22.22047 1.000 37.20047 C ? A ? 86 CG 1
   ATOM 661 CD1 . TYR A 92 ? 15.39099 31.62126 23.39454 1.000 35.03412 C ? A ? 86 CD1 1
   ATOM 662 CD2 . TYR A 92 ? 15.68458 30.98307 21.16019 1.000 36.03098 C ? A ? 86 CD2 1
   ATOM 663 CE1 . TYR A 92 ? 16.71224 31.95310 23.60845 1.000 36.08083 C ? A ? 86 CE1 1
   ATOM 664 CE2 . TYR A 92 ? 17.03220 31.22371 21.29363 1.000 41.41626 C ? A ? 86 CE2 1
   ATOM 665 CZ . TYR A 92 ? 17.55691 31.69632 22.49692 1.000 39.34142 C ? A ? 86 CZ 1
   ATOM 666 OH . TYR A 92 ? 18.92220 31.92488 22.53187 1.000 48.86247 O ? A ? 86 OH 1
   ATOM 667 N . VAL A 93 ? 11.75696 31.81614 24.53821 1.000 12.31283 N ? A ? 87 N 1
   ATOM 668 CA . VAL A 93 ? 10.59488 32.64808 24.82705 1.000 11.47444 C ? A ? 87 CA 1
   ATOM 669 C . VAL A 93 ? 10.48889 33.69053 23.74159 1.000 12.37571 C ? A ? 87 C 1
   ATOM 670 O . VAL A 93 ? 11.48419 34.37292 23.44849 1.000 19.51319 O ? A ? 87 O 1
   ATOM 671 CB . VAL A 93 ? 10.71731 33.33002 26.19725 1.000 15.71793 C ? A ? 87 CB 1
   ATOM 672 CG1 . VAL A 93 ? 9.56067 34.36978 26.45363 1.000 18.56540 C ? A ? 87 CG1 1
   ATOM 673 CG2 . VAL A 93 ? 10.74120 32.33619 27.33350 1.000 15.29252 C ? A ? 87 CG2 1
   ATOM 674 N . GLN A 94 ? 9.26678 33.92901 23.23976 1.000 14.24191 N ? A ? 88 N 1
   ATOM 675 CA . GLN A 94 ? 9.02279 34.96924 22.24684 1.000 11.77877 C ? A ? 88 CA 1
   ATOM 676 C . GLN A 94 ? 7.93583 35.84549 22.81236 1.000 12.97536 C ? A ? 88 C 1
   ATOM 677 O . GLN A 94 ? 6.87099 35.33943 23.14154 1.000 15.25388 O ? A ? 88 O 1
   ATOM 678 CB . GLN A 94 ? 8.55118 34.35248 20.93791 1.000 10.55921 C ? A ? 88 CB 1
   ATOM 679 CG . GLN A 94 ? 8.22705 35.38419 19.88492 1.000 13.47965 C ? A ? 88 CG 1
   ATOM 680 CD . GLN A 94 ? 8.27386 34.77332 18.46405 1.000 12.41216 C ? A ? 88 CD 1
   ATOM 681 OE1 . GLN A 94 ? 9.34673 34.34445 18.00018 1.000 14.69417 O ? A ? 88 OE1 1
   ATOM 682 NE2 . GLN A 94 ? 7.14693 34.77961 17.76434 1.000 13.98527 N ? A ? 88 NE2 1
   ATOM 683 N . GLU A 95 ? 8.23107 37.12075 23.01007 1.000 13.16739 N ? A ? 89 N 1
   ATOM 684 CA . GLU A 95 ? 7.25187 38.07393 23.51033 1.000 17.32081 C ? A ? 89 CA 1
   ATOM 685 C . GLU A 95 ? 7.05626 39.17171 22.48786 1.000 15.77527 C ? A ? 89 C 1
   ATOM 686 O . GLU A 95 ? 8.01832 39.64324 21.87856 1.000 13.79901 O ? A ? 89 O 1
   ATOM 687 CB . GLU A 95 ? 7.69862 38.68700 24.84566 1.000 18.97723 C ? A ? 89 CB 1
   ATOM 688 CG . GLU A 95 ? 7.72266 37.71873 26.01181 1.000 19.47797 C ? A ? 89 CG 1
   ATOM 689 CD . GLU A 95 ? 7.90299 38.40520 27.34715 1.000 29.65760 C ? A ? 89 CD 1
   ATOM 690 OE1 . GLU A 95 ? 8.38688 39.56379 27.35117 1.000 35.53800 O ? A ? 89 OE1 1
   ATOM 691 OE2 . GLU A 95 ? 7.60510 37.79374 28.40009 1.000 38.62113 O ? A ? 89 OE2 1
   ATOM 692 N . ARG A 96 ? 5.83324 39.65927 22.33726 1.000 12.86765 N ? A ? 90 N 1
   ATOM 693 CA . ARG A 96 ? 5.63420 40.87220 21.54455 1.000 14.97552 C ? A ? 90 CA 1
   ATOM 694 C . ARG A 96 ? 4.56962 41.75641 22.15243 1.000 13.87122 C ? A ? 90 C 1
   ATOM 695 O . ARG A 96 ? 3.72112 41.30886 22.90613 1.000 14.01875 O ? A ? 90 O 1
   ATOM 696 CB . ARG A 96 ? 5.13347 40.65453 20.13146 1.000 14.88024 C ? A ? 90 CB 1
   ATOM 697 CG . ARG A 96 ? 5.62662 39.50702 19.46832 1.000 14.57865 C ? A ? 90 CG 1
   ATOM 698 CD . ARG A 96 ? 4.24343 39.17058 19.04922 1.000 37.05146 C ? A ? 90 CD 1
   ATOM 699 NE . ARG A 96 ? 4.08782 39.07073 17.62752 1.000 36.04680 N ? A ? 90 NE 1
   ATOM 700 CZ . ARG A 96 ? 3.64282 37.98607 17.03246 1.000 33.63401 C ? A ? 90 CZ 1
   ATOM 701 NH1 . ARG A 96 ? 2.88317 37.11136 17.69325 1.000 35.40894 N ? A ? 90 NH1 1
   ATOM 702 NH2 . ARG A 96 ? 3.97099 37.78074 15.75591 1.000 36.01706 N ? A ? 90 NH2 1
   ATOM 703 N . THR A 97 ? 4.63431 43.02137 21.77501 1.000 12.69299 N ? A ? 91 N 1
   ATOM 704 CA . THR A 97 ? 3.53900 43.97057 21.87815 1.000 13.92722 C ? A ? 91 CA 1
   ATOM 705 C . THR A 97 ? 3.13036 44.33716 20.45724 1.000 16.83558 C ? A ? 91 C 1
   ATOM 706 O . THR A 97 ? 3.99241 44.60670 19.62166 1.000 16.17009 O ? A ? 91 O 1
   ATOM 707 CB . THR A 97 ? 3.95491 45.21546 22.68635 1.000 12.32444 C ? A ? 91 CB 1
   ATOM 708 OG1 . THR A 97 ? 4.33863 44.81019 24.00870 1.000 17.50785 O ? A ? 91 OG1 1
   ATOM 709 CG2 . THR A 97 ? 2.77055 46.13999 22.79770 1.000 18.70087 C ? A ? 91 CG2 1
   ATOM 710 N . ILE A 98 ? 1.82314 44.26209 20.16426 1.000 15.04957 N ? A ? 92 N 1
   ATOM 711 CA . ILE A 98 ? 1.31716 44.50953 18.82023 1.000 12.93968 C ? A ? 92 CA 1
   ATOM 712 C . ILE A 98 ? 0.29886 45.63437 18.94415 1.000 15.71699 C ? A ? 92 C 1
   ATOM 713 O . ILE A 98 ? -0.77535 45.44867 19.54460 1.000 16.97355 O ? A ? 92 O 1
   ATOM 714 CB . ILE A 98 ? 0.66829 43.27352 18.17489 1.000 17.81319 C ? A ? 92 CB 1
   ATOM 715 CG1 . ILE A 98 ? 1.69363 42.10641 18.05062 1.000 10.53067 C ? A ? 92 CG1 1
   ATOM 716 CG2 . ILE A 98 ? 0.02863 43.62833 16.78889 1.000 13.25876 C ? A ? 92 CG2 1
   ATOM 717 CD1 . ILE A 98 ? 1.07867 40.74663 17.71729 1.000 13.98504 C ? A ? 92 CD1 1
   ATOM 718 N . SER A 99 ? 0.63085 46.79408 18.40104 1.000 12.90721 N ? A ? 93 N 1
   ATOM 719 CA . SER A 99 ? -0.19402 47.98641 18.57213 1.000 18.38350 C ? A ? 93 CA 1
   ATOM 720 C . SER A 99 ? -1.00250 48.22414 17.30261 1.000 12.36060 C ? A ? 93 C 1
   ATOM 721 O . SER A 99 ? -0.42650 48.46935 16.24473 1.000 15.80659 O ? A ? 93 O 1
   ATOM 722 CB . SER A 99 ? 0.69036 49.20550 18.87468 1.000 15.97815 C ? A ? 93 CB 1
   ATOM 723 OG . SER A 99 ? -0.09951 50.39477 18.83223 1.000 26.68781 O ? A ? 93 OG 1
   ATOM 724 N . PHE A 100 ? -2.34301 48.14509 17.39683 1.000 13.82783 N ? A ? 94 N 1
   ATOM 725 CA . PHE A 100 ? -3.19218 48.42540 16.25165 1.000 13.88429 C ? A ? 94 CA 1
   ATOM 726 C . PHE A 100 ? -3.53847 49.90463 16.17610 1.000 18.59044 C ? A ? 94 C 1
   ATOM 727 O . PHE A 100 ? -4.13049 50.47635 17.10348 1.000 21.41050 O ? A ? 94 O 1
   ATOM 728 CB . PHE A 100 ? -4.44140 47.56074 16.28460 1.000 15.28562 C ? A ? 94 CB 1
   ATOM 729 CG . PHE A 100 ? -4.16545 46.10371 16.15269 1.000 9.96598 C ? A ? 94 CG 1
   ATOM 730 CD1 . PHE A 100 ? -3.88626 45.35734 17.25123 1.000 12.95622 C ? A ? 94 CD1 1
   ATOM 731 CD2 . PHE A 100 ? -4.23134 45.48268 14.91064 1.000 13.09034 C ? A ? 94 CD2 1
   ATOM 732 CE1 . PHE A 100 ? -3.66430 43.96772 17.12566 1.000 14.89534 C ? A ? 94 CE1 1
   ATOM 733 CE2 . PHE A 100 ? -3.99913 44.08314 14.78729 1.000 14.81622 C ? A ? 94 CE2 1
   ATOM 734 CZ . PHE A 100 ? -3.74285 43.35417 15.87160 1.000 15.67507 C ? A ? 94 CZ 1
   ATOM 735 N . LYS A 101 ? -3.14212 50.52206 15.06347 1.000 19.38016 N ? A ? 95 N 1
   ATOM 736 CA . LYS A 101 ? -3.32779 51.94986 14.86896 1.000 20.59918 C ? A ? 95 CA 1
   ATOM 737 C . LYS A 101 ? -4.79473 52.28442 15.00707 1.000 22.49164 C ? A ? 95 C 1
   ATOM 738 O . LYS A 101 ? -5.65416 51.58351 14.46407 1.000 21.92405 O ? A ? 95 O 1
   ATOM 739 CB . LYS A 101 ? -2.81292 52.34576 13.49726 1.000 20.54972 C ? A ? 95 CB 1
   ATOM 740 CG . LYS A 101 ? -3.41980 53.60547 12.94891 1.000 31.23575 C ? A ? 95 CG 1
   ATOM 741 CD . LYS A 101 ? -2.50449 54.71829 13.21037 1.000 30.16661 C ? A ? 95 CD 1
   ATOM 742 CE . LYS A 101 ? -1.15487 54.46128 12.64918 1.000 34.97061 C ? A ? 95 CE 1
   ATOM 743 NZ . LYS A 101 ? -1.37566 54.24679 11.21574 1.000 42.40093 N ? A ? 95 NZ 1
   ATOM 744 N . ASP A 102 ? -5.08288 53.31921 15.78376 1.000 23.37691 N ? A ? 96 N 1
   ATOM 745 CA . ASP A 102 ? -6.44982 53.75143 16.08314 1.000 23.25689 C ? A ? 96 CA 1
   ATOM 746 C . ASP A 102 ? -7.24651 52.73972 16.89908 1.000 25.92181 C ? A ? 96 C 1
   ATOM 747 O . ASP A 102 ? -8.46605 52.85828 16.96040 1.000 29.58581 O ? A ? 96 O 1
   ATOM 748 CB . ASP A 102 ? -7.25145 54.08796 14.80802 1.000 24.29387 C ? A ? 96 CB 1
   ATOM 749 CG . ASP A 102 ? -6.91347 55.44484 14.22999 1.000 40.19846 C ? A ? 96 CG 1
   ATOM 750 OD1 . ASP A 102 ? -7.65742 55.93041 13.33965 1.000 49.54935 O ? A ? 96 OD1 1
   ATOM 751 OD2 . ASP A 102 ? -5.89719 56.02223 14.66916 1.000 44.67991 O ? A ? 96 OD2 1
   ATOM 752 N . ASP A 103 ? -6.62636 51.70658 17.48547 1.000 22.94963 N ? A ? 97 N 1
   ATOM 753 CA . ASP A 103 ? -7.34658 51.00191 18.56235 1.000 24.51092 C ? A ? 97 CA 1
   ATOM 754 C . ASP A 103 ? -6.42937 50.27339 19.52998 1.000 25.13069 C ? A ? 97 C 1
   ATOM 755 O . ASP A 103 ? -5.46898 50.87542 19.97543 1.000 20.30911 O ? A ? 97 O 1
   ATOM 756 CB . ASP A 103 ? -8.43131 50.03470 18.08243 1.000 37.48649 C ? A ? 97 CB 1
   ATOM 757 CG . ASP A 103 ? -8.07514 49.26871 16.88714 1.000 34.31187 C ? A ? 97 CG 1
   ATOM 758 OD1 . ASP A 103 ? -8.98113 48.46991 16.53285 1.000 43.37797 O ? A ? 97 OD1 1
   ATOM 759 OD2 . ASP A 103 ? -6.97507 49.42928 16.30624 1.000 42.61011 O ? A ? 97 OD2 1
   ATOM 760 N . GLY A 104 ? -6.74565 49.03357 19.93011 1.000 21.91410 N ? A ? 98 N 1
   ATOM 761 CA . GLY A 104 ? -6.08876 48.41032 21.06923 1.000 18.46726 C ? A ? 98 CA 1
   ATOM 762 C . GLY A 104 ? -4.77802 47.73084 20.71530 1.000 14.59820 C ? A ? 98 C 1
   ATOM 763 O . GLY A 104 ? -4.24871 47.86127 19.60890 1.000 17.68538 O ? A ? 98 O 1
   ATOM 764 N . TYR A 105 ? -4.22639 47.01754 21.70232 1.000 14.64453 N ? A ? 99 N 1
   ATOM 765 CA . TYR A 105 ? -2.95201 46.34711 21.49034 1.000 16.02032 C ? A ? 99 CA 1
   ATOM 766 C . TYR A 105 ? -3.00284 44.94170 22.06780 1.000 18.03278 C ? A ? 99 C 1
   ATOM 767 O . TYR A 105 ? -3.71059 44.66749 23.03688 1.000 17.33786 O ? A ? 99 O 1
   ATOM 768 CB . TYR A 105 ? -1.79203 47.16318 22.08922 1.000 13.44190 C ? A ? 99 CB 1
   ATOM 769 CG . TYR A 105 ? -1.84642 47.30816 23.59497 1.000 15.85854 C ? A ? 99 CG 1
   ATOM 770 CD1 . TYR A 105 ? -2.57789 48.32799 24.19624 1.000 15.02281 C ? A ? 99 CD1 1
   ATOM 771 CD2 . TYR A 105 ? -1.20707 46.37691 24.42654 1.000 14.79663 C ? A ? 99 CD2 1
   ATOM 772 CE1 . TYR A 105 ? -2.63308 48.41991 25.61622 1.000 14.00627 C ? A ? 99 CE1 1
   ATOM 773 CE2 . TYR A 105 ? -1.24260 46.46281 25.82310 1.000 17.11641 C ? A ? 99 CE2 1
   ATOM 774 CZ . TYR A 105 ? -1.96549 47.48725 26.42500 1.000 22.66312 C ? A ? 99 CZ 1
   ATOM 775 OH . TYR A 105 ? -2.00027 47.54083 27.82628 1.000 17.74417 O ? A ? 99 OH 1
   ATOM 776 N . TYR A 106 ? -2.23175 44.04408 21.46014 1.000 16.91430 N ? A ? 100 N 1
   ATOM 777 CA . TYR A 106 ? -2.00936 42.70456 21.99610 1.000 13.78516 C ? A ? 100 CA 1
   ATOM 778 C . TYR A 106 ? -0.67746 42.68309 22.71414 1.000 17.07491 C ? A ? 100 C 1
   ATOM 779 O . TYR A 106 ? 0.26924 43.34532 22.29347 1.000 14.62677 O ? A ? 100 O 1
   ATOM 780 CB . TYR A 106 ? -1.95697 41.60706 20.92384 1.000 17.52073 C ? A ? 100 CB 1
   ATOM 781 CG . TYR A 106 ? -3.21730 41.33998 20.10898 1.000 22.24610 C ? A ? 100 CG 1
   ATOM 782 CD1 . TYR A 106 ? -4.48204 41.62527 20.61786 1.000 27.84500 C ? A ? 100 CD1 1
   ATOM 783 CD2 . TYR A 106 ? -3.13169 40.78316 18.83939 1.000 29.32609 C ? A ? 100 CD2 1
   ATOM 784 CE1 . TYR A 106 ? -5.61902 41.37056 19.88133 1.000 34.77275 C ? A ? 100 CE1 1
   ATOM 785 CE2 . TYR A 106 ? -4.26785 40.51898 18.09528 1.000 37.28382 C ? A ? 100 CE2 1
   ATOM 786 CZ . TYR A 106 ? -5.50609 40.81376 18.62041 1.000 38.47443 C ? A ? 100 CZ 1
   ATOM 787 OH . TYR A 106 ? -6.61886 40.55158 17.86169 1.000 48.47321 O ? A ? 100 OH 1
   ATOM 788 N . LYS A 107 ? -0.60367 41.91935 23.78242 1.000 14.23273 N ? A ? 101 N 1
   ATOM 789 CA . LYS A 107 ? 0.66644 41.53485 24.38626 1.000 13.88889 C ? A ? 101 CA 1
   ATOM 790 C . LYS A 107 ? 0.69395 40.02320 24.46192 1.000 17.49290 C ? A ? 101 C 1
   ATOM 791 O . LYS A 107 ? -0.27632 39.42249 24.92834 1.000 15.96295 O ? A ? 101 O 1
   ATOM 792 CB . LYS A 107 ? 0.83794 42.10295 25.79690 1.000 18.18953 C ? A ? 101 CB 1
   ATOM 793 CG . LYS A 107 ? 1.49866 43.46605 25.77125 1.000 16.58523 C ? A ? 101 CG 1
   ATOM 794 CD . LYS A 107 ? 1.70230 44.00246 27.15882 1.000 26.47645 C ? A ? 101 CD 1
   ATOM 795 CE . LYS A 107 ? 3.15346 43.95361 27.49608 1.000 34.27767 C ? A ? 101 CE 1
   ATOM 796 NZ . LYS A 107 ? 3.48585 44.73809 28.72045 1.000 36.26962 N ? A ? 101 NZ 1
   ATOM 797 N . THR A 108 ? 1.78450 39.42049 23.99242 1.000 15.01034 N ? A ? 102 N 1
   ATOM 798 CA . THR A 108 ? 1.91381 37.98643 23.87854 1.000 13.16679 C ? A ? 102 CA 1
   ATOM 799 C . THR A 108 ? 3.18422 37.49943 24.52293 1.000 16.41744 C ? A ? 102 C 1
   ATOM 800 O . THR A 108 ? 4.21372 38.15796 24.44758 1.000 14.67439 O ? A ? 102 O 1
   ATOM 801 CB . THR A 108 ? 1.90637 37.53112 22.41964 1.000 13.11339 C ? A ? 102 CB 1
   ATOM 802 OG1 . THR A 108 ? 1.97010 36.09824 22.41109 1.000 28.10842 O ? A ? 102 OG1 1
   ATOM 803 CG2 . THR A 108 ? 3.01193 38.02979 21.70197 1.000 10.16419 C ? A ? 102 CG2 1
   ATOM 804 N . ARG A 109 ? 3.12329 36.30894 25.07678 1.000 14.09907 N ? A ? 103 N 1
   ATOM 805 CA . ARG A 109 ? 4.28273 35.62747 25.63754 1.000 13.89618 C ? A ? 103 CA 1
   ATOM 806 C . ARG A 109 ? 4.14156 34.16709 25.29083 1.000 12.12716 C ? A ? 103 C 1
   ATOM 807 O . ARG A 109 ? 3.11131 33.57224 25.59957 1.000 16.56072 O ? A ? 103 O 1
   ATOM 808 CB . ARG A 109 ? 4.39429 35.79698 27.14601 1.000 21.23340 C ? A ? 103 CB 1
   ATOM 809 CG . ARG A 109 ? 5.56128 34.98395 27.67933 1.000 21.34536 C ? A ? 103 CG 1
   ATOM 810 CD . ARG A 109 ? 5.71871 35.07467 29.18248 1.000 26.11736 C ? A ? 103 CD 1
   ATOM 811 NE . ARG A 109 ? 6.97046 34.46533 29.63110 1.000 28.78355 N ? A ? 103 NE 1
   ATOM 812 CZ . ARG A 109 ? 7.18433 33.16237 29.74905 1.000 28.88121 C ? A ? 103 CZ 1
   ATOM 813 NH1 . ARG A 109 ? 6.22578 32.28074 29.49988 1.000 32.03206 N ? A ? 103 NH1 1
   ATOM 814 NH2 . ARG A 109 ? 8.40163 32.73076 30.11271 1.000 28.50086 N ? A ? 103 NH2 1
   ATOM 815 N . ALA A 110 ? 5.11939 33.62880 24.58386 1.000 13.35859 N ? A ? 104 N 1
   ATOM 816 CA . ALA A 110 ? 5.07943 32.27371 24.08132 1.000 13.63065 C ? A ? 104 CA 1
   ATOM 817 C . ALA A 110 ? 6.36240 31.56394 24.47405 1.000 17.65892 C ? A ? 104 C 1
   ATOM 818 O . ALA A 110 ? 7.39712 32.18856 24.67909 1.000 15.44785 O ? A ? 104 O 1
   ATOM 819 CB . ALA A 110 ? 4.91807 32.26564 22.53966 1.000 13.38472 C ? A ? 104 CB 1
   ATOM 820 N . GLU A 111 ? 6.27109 30.25927 24.65427 1.000 15.83817 N ? A ? 105 N 1
   ATOM 821 CA . GLU A 111 ? 7.45011 29.42110 24.66901 1.000 14.18591 C ? A ? 105 CA 1
   ATOM 822 C . GLU A 111 ? 7.40291 28.53116 23.44413 1.000 14.62668 C ? A ? 105 C 1
   ATOM 823 O . GLU A 111 ? 6.38870 27.87011 23.20946 1.000 15.21634 O ? A ? 105 O 1
   ATOM 824 CB . GLU A 111 ? 7.50215 28.54246 25.93497 1.000 17.92943 C ? A ? 105 CB 1
   ATOM 825 CG . GLU A 111 ? 7.44488 29.31485 27.23004 1.000 19.88878 C ? A ? 105 CG 1
   ATOM 826 CD . GLU A 111 ? 7.92005 28.50244 28.41653 1.000 32.80502 C ? A ? 105 CD 1
   ATOM 827 OE1 . GLU A 111 ? 7.94079 27.25440 28.32062 1.000 30.44489 O ? A ? 105 OE1 1
   ATOM 828 OE2 . GLU A 111 ? 8.27522 29.12203 29.44030 1.000 39.37536 O ? A ? 105 OE2 1
   ATOM 829 N . VAL A 112 ? 8.51267 28.46642 22.71831 1.000 10.90244 N ? A ? 106 N 1
   ATOM 830 CA . VAL A 112 ? 8.66969 27.61264 21.53254 1.000 12.44514 C ? A ? 106 CA 1
   ATOM 831 C . VAL A 112 ? 9.79269 26.61405 21.84462 1.000 15.37829 C ? A ? 106 C 1
   ATOM 832 O . VAL A 112 ? 10.96027 27.01081 22.06111 1.000 14.45494 O ? A ? 106 O 1
   ATOM 833 CB . VAL A 112 ? 9.06026 28.45796 20.30508 1.000 17.51620 C ? A ? 106 CB 1
   ATOM 834 CG1 . VAL A 112 ? 9.11540 27.64577 19.03166 1.000 13.65781 C ? A ? 106 CG1 1
   ATOM 835 CG2 . VAL A 112 ? 8.14921 29.65728 20.15577 1.000 12.21701 C ? A ? 106 CG2 1
   ATOM 836 N . LYS A 113 ? 9.45723 25.32763 21.85941 1.000 14.42710 N ? A ? 107 N 1
   ATOM 837 CA . LYS A 113 ? 10.44414 24.34302 22.30184 1.000 11.42200 C ? A ? 107 CA 1
   ATOM 838 C . LYS A 113 ? 10.00061 22.97096 21.84951 1.000 15.56305 C ? A ? 107 C 1
   ATOM 839 O . LYS A 113 ? 8.85049 22.78152 21.50854 1.000 14.02071 O ? A ? 107 O 1
   ATOM 840 CB . LYS A 113 ? 10.57266 24.39569 23.81661 1.000 15.53511 C ? A ? 107 CB 1
   ATOM 841 CG . LYS A 113 ? 9.38090 23.82200 24.50434 1.000 15.70725 C ? A ? 107 CG 1
   ATOM 842 CD . LYS A 113 ? 9.30724 24.31490 25.94567 1.000 23.32168 C ? A ? 107 CD 1
   ATOM 843 CE . LYS A 113 ? 7.95502 23.98200 26.57149 1.000 27.50393 C ? A ? 107 CE 1
   ATOM 844 NZ . LYS A 113 ? 7.95358 22.55268 26.91301 1.000 31.42220 N ? A ? 107 NZ 1
   ATOM 845 N . PHE A 114 ? 10.91609 22.01111 21.82957 1.000 15.32263 N ? A ? 108 N 1
   ATOM 846 CA . PHE A 114 ? 10.52544 20.63561 21.51131 1.000 14.58442 C ? A ? 108 CA 1
   ATOM 847 C . PHE A 114 ? 9.94339 19.98724 22.74804 1.000 12.38848 C ? A ? 108 C 1
   ATOM 848 O . PHE A 114 ? 10.50624 20.12274 23.83502 1.000 16.43788 O ? A ? 108 O 1
   ATOM 849 CB . PHE A 114 ? 11.73577 19.83067 21.03772 1.000 14.28147 C ? A ? 108 CB 1
   ATOM 850 CG . PHE A 114 ? 11.99981 19.97817 19.59138 1.000 15.14168 C ? A ? 108 CG 1
   ATOM 851 CD1 . PHE A 114 ? 11.41034 19.11294 18.67939 1.000 17.91179 C ? A ? 108 CD1 1
   ATOM 852 CD2 . PHE A 114 ? 12.79659 21.02048 19.13434 1.000 19.88804 C ? A ? 108 CD2 1
   ATOM 853 CE1 . PHE A 114 ? 11.66084 19.26260 17.29001 1.000 22.96620 C ? A ? 108 CE1 1
   ATOM 854 CE2 . PHE A 114 ? 13.04301 21.18989 17.76781 1.000 18.33424 C ? A ? 108 CE2 1
   ATOM 855 CZ . PHE A 114 ? 12.49271 20.30429 16.84893 1.000 24.84777 C ? A ? 108 CZ 1
   ATOM 856 N . GLU A 115 ? 8.81328 19.30713 22.58482 1.000 15.03626 N ? A ? 109 N 1
   ATOM 857 CA . GLU A 115 ? 8.22620 18.44428 23.60119 1.000 14.35717 C ? A ? 109 CA 1
   ATOM 858 C . GLU A 115 ? 8.26664 17.07020 22.97546 1.000 13.15727 C ? A ? 109 C 1
   ATOM 859 O . GLU A 115 ? 7.29328 16.64815 22.33619 1.000 19.91074 O ? A ? 109 O 1
   ATOM 860 CB . GLU A 115 ? 6.77606 18.91939 23.92074 1.000 12.68585 C ? A ? 109 CB 1
   ATOM 861 CG . GLU A 115 ? 6.80843 20.33562 24.52945 1.000 13.90852 C ? A ? 109 CG 1
   ATOM 862 CD . GLU A 115 ? 5.49797 20.90149 25.04647 1.000 23.02851 C ? A ? 109 CD 1
   ATOM 863 OE1 . GLU A 115 ? 4.51182 20.15116 25.18341 1.000 18.72880 O ? A ? 109 OE1 1
   ATOM 864 OE2 . GLU A 115 ? 5.46315 22.14367 25.27384 1.000 20.96798 O ? A ? 109 OE2 1
   ATOM 865 N . GLY A 116 ? 9.40780 16.39103 23.11393 1.000 13.74189 N ? A ? 110 N 1
   ATOM 866 CA . GLY A 116 ? 9.59185 15.10733 22.43366 1.000 17.57026 C ? A ? 110 CA 1
   ATOM 867 C . GLY A 116 ? 9.80434 15.31318 20.94526 1.000 19.27438 C ? A ? 110 C 1
   ATOM 868 O . GLY A 116 ? 10.67458 16.09769 20.54610 1.000 22.47950 O ? A ? 110 O 1
   ATOM 869 N . ASP A 117 ? 9.00568 14.64125 20.10618 1.000 16.45882 N ? A ? 111 N 1
   ATOM 870 CA . ASP A 117 ? 9.14654 14.76895 18.66600 1.000 17.16344 C ? A ? 111 CA 1
   ATOM 871 C . ASP A 117 ? 8.49429 16.04066 18.11037 1.000 16.75159 C ? A ? 111 C 1
   ATOM 872 O . ASP A 117 ? 8.70726 16.35659 16.93501 1.000 21.52693 O ? A ? 111 O 1
   ATOM 873 CB . ASP A 117 ? 8.56632 13.53694 17.94676 1.000 20.62529 C ? A ? 111 CB 1
   ATOM 874 CG . ASP A 117 ? 7.02113 13.48505 17.96774 1.000 32.72591 C ? A ? 111 CG 1
   ATOM 875 OD1 . ASP A 117 ? 6.38757 14.06534 18.87774 1.000 31.71082 O ? A ? 111 OD1 1
   ATOM 876 OD2 . ASP A 117 ? 6.43191 12.82066 17.07562 1.000 46.58821 O ? A ? 111 OD2 1
   ATOM 877 N . THR A 118 ? 7.64551 16.72213 18.88194 1.000 16.65400 N ? A ? 112 N 1
   ATOM 878 CA . THR A 118 ? 6.83180 17.79857 18.34990 1.000 18.22298 C ? A ? 112 CA 1
   ATOM 879 C . THR A 118 ? 7.42116 19.13745 18.75003 1.000 13.08408 C ? A ? 112 C 1
   ATOM 880 O . THR A 118 ? 7.84014 19.32283 19.89847 1.000 15.20703 O ? A ? 112 O 1
   ATOM 881 CB . THR A 118 ? 5.42350 17.68247 18.88514 1.000 14.78912 C ? A ? 112 CB 1
   ATOM 882 OG1 . THR A 118 ? 4.93296 16.40506 18.50351 1.000 18.77955 O ? A ? 112 OG1 1
   ATOM 883 CG2 . THR A 118 ? 4.50717 18.77227 18.28065 1.000 16.00878 C ? A ? 112 CG2 1
   ATOM 884 N . LEU A 119 ? 7.43335 20.07574 17.79413 1.000 15.85206 N ? A ? 113 N 1
   ATOM 885 CA . LEU A 119 ? 7.76563 21.47122 18.08195 1.000 14.80230 C ? A ? 113 CA 1
   ATOM 886 C . LEU A 119 ? 6.51073 22.19839 18.53029 1.000 14.12514 C ? A ? 113 C 1
   ATOM 887 O . LEU A 119 ? 5.55056 22.26725 17.76086 1.000 16.36668 O ? A ? 113 O 1
   ATOM 888 CB . LEU A 119 ? 8.31308 22.13610 16.82706 1.000 16.48854 C ? A ? 113 CB 1
   ATOM 889 CG . LEU A 119 ? 8.94785 23.51403 16.99206 1.000 15.70469 C ? A ? 113 CG 1
   ATOM 890 CD1 . LEU A 119 ? 7.90674 24.62783 17.11086 1.000 16.84660 C ? A ? 113 CD1 1
   ATOM 891 CD2 . LEU A 119 ? 9.98456 23.50134 18.18217 1.000 14.62918 C ? A ? 113 CD2 1
   ATOM 892 N . VAL A 120 ? 6.52724 22.75843 19.74174 1.000 13.93159 N ? A ? 114 N 1
   ATOM 893 CA . VAL A 120 ? 5.30693 23.25009 20.39251 1.000 14.54676 C ? A ? 114 CA 1
   ATOM 894 C . VAL A 120 ? 5.45634 24.74495 20.65788 1.000 16.43344 C ? A ? 114 C 1
   ATOM 895 O . VAL A 120 ? 6.46574 25.18990 21.22952 1.000 15.48878 O ? A ? 114 O 1
   ATOM 896 CB . VAL A 120 ? 4.99478 22.49516 21.70065 1.000 13.44660 C ? A ? 114 CB 1
   ATOM 897 CG1 . VAL A 120 ? 3.69805 23.04533 22.33927 1.000 17.87978 C ? A ? 114 CG1 1
   ATOM 898 CG2 . VAL A 120 ? 4.86467 21.00548 21.43918 1.000 15.83628 C ? A ? 114 CG2 1
   ATOM 899 N . ASN A 121 ? 4.44863 25.52070 20.22218 1.000 13.27731 N ? A ? 115 N 1
   ATOM 900 CA . ASN A 121 ? 4.38803 26.96176 20.46349 1.000 15.59537 C ? A ? 115 CA 1
   ATOM 901 C . ASN A 121 ? 3.19458 27.18625 21.39569 1.000 16.69966 C ? A ? 115 C 1
   ATOM 902 O . ASN A 121 ? 2.04422 27.03727 20.99088 1.000 16.67662 O ? A ? 115 O 1
   ATOM 903 CB . ASN A 121 ? 4.23043 27.71096 19.16720 1.000 10.21915 C ? A ? 115 CB 1
   ATOM 904 CG . ASN A 121 ? 4.07929 29.20096 19.34994 1.000 11.42004 C ? A ? 115 CG 1
   ATOM 905 OD1 . ASN A 121 ? 4.51083 29.80113 20.34741 1.000 13.37780 O ? A ? 115 OD1 1
   ATOM 906 ND2 . ASN A 121 ? 3.51512 29.82318 18.31593 1.000 12.00822 N ? A ? 115 ND2 1
   ATOM 907 N . ARG A 122 ? 3.47268 27.45521 22.67271 1.000 15.61312 N ? A ? 116 N 1
   ATOM 908 CA . ARG A 122 ? 2.44504 27.66833 23.69247 1.000 15.30520 C ? A ? 116 CA 1
   ATOM 909 C . ARG A 122 ? 2.41334 29.14081 24.03603 1.000 18.13617 C ? A ? 116 C 1
   ATOM 910 O . ARG A 122 ? 3.42435 29.66320 24.50719 1.000 14.66050 O ? A ? 116 O 1
   ATOM 911 CB . ARG A 122 ? 2.75950 26.86539 24.95829 1.000 12.56738 C ? A ? 116 CB 1
   ATOM 912 CG . ARG A 122 ? 2.50403 25.39638 24.85268 1.000 24.72542 C ? A ? 116 CG 1
   ATOM 913 CD . ARG A 122 ? 2.74320 24.73569 26.20402 1.000 25.68874 C ? A ? 116 CD 1
   ATOM 914 NE . ARG A 122 ? 2.91128 23.30158 26.01971 1.000 19.62326 N ? A ? 116 NE 1
   ATOM 915 CZ . ARG A 122 ? 1.88514 22.49279 25.84625 1.000 25.31933 C ? A ? 116 CZ 1
   ATOM 916 NH1 . ARG A 122 ? 0.64897 22.96126 25.86561 1.000 23.74079 N ? A ? 116 NH1 1
   ATOM 917 NH2 . ARG A 122 ? 2.09622 21.19145 25.66357 1.000 35.63940 N ? A ? 116 NH2 1
   ATOM 918 N . ILE A 123 ? 1.25391 29.79576 23.83178 1.000 14.25577 N ? A ? 117 N 1
   ATOM 919 CA . ILE A 123 ? 1.14321 31.26584 23.84243 1.000 11.16573 C ? A ? 117 CA 1
   ATOM 920 C . ILE A 123 ? 0.09311 31.71958 24.86168 1.000 19.15179 C ? A ? 117 C 1
   ATOM 921 O . ILE A 123 ? -0.98973 31.12848 24.93093 1.000 16.08489 O ? A ? 117 O 1
   ATOM 922 CB . ILE A 123 ? 0.69600 31.78477 22.46319 1.000 12.78954 C ? A ? 117 CB 1
   ATOM 923 CG1 . ILE A 123 ? 1.50060 31.17829 21.31072 1.000 18.84599 C ? A ? 117 CG1 1
   ATOM 924 CG2 . ILE A 123 ? 0.65870 33.29711 22.46275 1.000 17.23428 C ? A ? 117 CG2 1
   ATOM 925 CD1 . ILE A 123 ? 0.62088 30.79866 20.18052 1.000 13.32692 C ? A ? 117 CD1 1
   ATOM 926 N . GLU A 124 ? 0.39142 32.78395 25.61018 1.000 15.17982 N ? A ? 118 N 1
   ATOM 927 CA . GLU A 124 ? -0.62257 33.59426 26.28218 1.000 13.91722 C ? A ? 118 CA 1
   ATOM 928 C . GLU A 124 ? -0.80033 34.93203 25.58629 1.000 15.58640 C ? A ? 118 C 1
   ATOM 929 O . GLU A 124 ? 0.16232 35.68296 25.40251 1.000 16.25685 O ? A ? 118 O 1
   ATOM 930 CB . GLU A 124 ? -0.26159 33.88294 27.73457 1.000 25.24183 C ? A ? 118 CB 1
   ATOM 931 CG . GLU A 124 ? -1.19058 34.93675 28.30456 1.000 36.93287 C ? A ? 118 CG 1
   ATOM 932 CD . GLU A 124 ? -0.86064 35.32959 29.73143 1.000 43.54356 C ? A ? 118 CD 1
   ATOM 933 OE1 . GLU A 124 ? -0.61437 34.41698 30.55863 1.000 46.68818 O ? A ? 118 OE1 1
   ATOM 934 OE2 . GLU A 124 ? -0.87681 36.55229 30.02237 1.000 44.37110 O ? A ? 118 OE2 1
   ATOM 935 N . LEU A 125 ? -2.03587 35.26817 25.26846 1.000 12.57394 N ? A ? 119 N 1
   ATOM 936 CA . LEU A 125 ? -2.36389 36.53000 24.64416 1.000 15.96668 C ? A ? 119 CA 1
   ATOM 937 C . LEU A 125 ? -3.33867 37.33712 25.48847 1.000 26.60162 C ? A ? 119 C 1
   ATOM 938 O . LEU A 125 ? -4.40021 36.83116 25.88011 1.000 19.70060 O ? A ? 119 O 1
   ATOM 939 CB . LEU A 125 ? -2.93891 36.31573 23.22290 1.000 15.23185 C ? A ? 119 CB 1
   ATOM 940 CG . LEU A 125 ? -3.24432 37.57102 22.40275 1.000 18.59824 C ? A ? 119 CG 1
   ATOM 941 CD1 . LEU A 125 ? -3.09370 37.33239 20.92788 1.000 19.18193 C ? A ? 119 CD1 1
   ATOM 942 CD2 . LEU A 125 ? -4.67800 38.01148 22.67206 1.000 18.06968 C ? A ? 119 CD2 1
   ATOM 943 N . LYS A 126 ? -2.98408 38.59927 25.72182 1.000 20.89153 N ? A ? 120 N 1
   ATOM 944 CA . LYS A 126 ? -3.89698 39.61321 26.23339 1.000 15.24395 C ? A ? 120 CA 1
   ATOM 945 C . LYS A 126 ? -4.07450 40.74988 25.21646 1.000 18.56565 C ? A ? 120 C 1
   ATOM 946 O . LYS A 126 ? -3.10740 41.23218 24.61333 1.000 21.87896 O ? A ? 120 O 1
   ATOM 947 CB . LYS A 126 ? -3.40603 40.17941 27.57438 1.000 21.79838 C ? A ? 120 CB 1
   ATOM 948 CG . LYS A 126 ? -4.34080 41.22331 28.20915 1.000 34.22375 C ? A ? 120 CG 1
   ATOM 949 CD . LYS A 126 ? -5.17062 40.60789 29.35216 1.000 39.96242 C ? A ? 120 CD 1
   ATOM 950 CE . LYS A 126 ? -6.34098 41.50290 29.77004 1.000 38.72709 C ? A ? 120 CE 1
   ATOM 951 NZ . LYS A 126 ? -7.39736 41.63229 28.68451 1.000 30.06790 N ? A ? 120 NZ 1
   ATOM 952 N . GLY A 127 ? -5.29956 41.20778 25.02878 1.000 19.17234 N ? A ? 121 N 1
   ATOM 953 CA . GLY A 127 ? -5.54281 42.43619 24.27698 1.000 19.20059 C ? A ? 121 CA 1
   ATOM 954 C . GLY A 127 ? -6.36566 43.38219 25.09690 1.000 26.79172 C ? A ? 121 C 1
   ATOM 955 O . GLY A 127 ? -7.31135 42.97858 25.78044 1.000 23.91317 O ? A ? 121 O 1
   ATOM 956 N . ILE A 128 ? -5.99269 44.67470 25.08603 1.000 22.63709 N ? A ? 122 N 1
   ATOM 957 CA . ILE A 128 ? -6.82878 45.65613 25.76999 1.000 31.09790 C ? A ? 122 CA 1
   ATOM 958 C . ILE A 128 ? -6.90563 46.97000 24.99586 1.000 27.54976 C ? A ? 122 C 1
   ATOM 959 O . ILE A 128 ? -6.16112 47.20861 24.04163 1.000 24.37051 O ? A ? 122 O 1
   ATOM 960 CB . ILE A 128 ? -6.39093 45.93921 27.22738 1.000 35.93951 C ? A ? 122 CB 1
   ATOM 961 CG1 . ILE A 128 ? -5.10821 46.71936 27.24062 1.000 33.14560 C ? A ? 122 CG1 1
   ATOM 962 CG2 . ILE A 128 ? -6.24040 44.65753 28.07258 1.000 34.69073 C ? A ? 122 CG2 1
   ATOM 963 CD1 . ILE A 128 ? -5.06409 47.65012 28.40710 1.000 40.47316 C ? A ? 122 CD1 1
   ATOM 964 N . ASP A 129 ? -7.87920 47.80647 25.39631 1.000 29.83311 N ? A ? 123 N 1
   ATOM 965 CA . ASP A 129 ? -8.08318 49.17032 24.87908 1.000 26.59328 C ? A ? 123 CA 1
   ATOM 966 C . ASP A 129 ? -8.58291 49.19690 23.43146 1.000 26.92564 C ? A ? 123 C 1
   ATOM 967 O . ASP A 129 ? -8.28023 50.11561 22.67512 1.000 28.26463 O ? A ? 123 O 1
   ATOM 968 CB . ASP A 129 ? -6.81605 50.04499 24.97836 1.000 32.95704 C ? A ? 123 CB 1
   ATOM 969 CG . ASP A 129 ? -6.44800 50.44527 26.41324 1.000 29.54098 C ? A ? 123 CG 1
   ATOM 970 OD1 . ASP A 129 ? -5.24209 50.65243 26.68338 1.000 39.30725 O ? A ? 123 OD1 1
   ATOM 971 OD2 . ASP A 129 ? -7.34393 50.56838 27.25947 1.000 32.13088 O ? A ? 123 OD2 1
   ATOM 972 N . PHE A 130 ? -9.35159 48.25133 22.96184 1.000 31.76126 N ? A ? 124 N 1
   ATOM 973 CA . PHE A 130 ? -9.83173 48.57585 21.62973 1.000 39.21558 C ? A ? 124 CA 1
   ATOM 974 C . PHE A 130 ? -11.32650 48.79482 21.65115 1.000 36.07822 C ? A ? 124 C 1
   ATOM 975 O . PHE A 130 ? -11.99409 48.64378 22.67964 1.000 37.02376 O ? A ? 124 O 1
   ATOM 976 CB . PHE A 130 ? -9.49548 47.49148 20.65595 1.000 35.47990 C ? A ? 124 CB 1
   ATOM 977 CG . PHE A 130 ? -9.91111 46.22626 21.14747 1.000 30.38269 C ? A ? 124 CG 1
   ATOM 978 CD1 . PHE A 130 ? -8.97894 45.31453 21.51469 1.000 37.53177 C ? A ? 124 CD1 1
   ATOM 979 CD2 . PHE A 130 ? -11.24945 45.97447 21.33492 1.000 41.53833 C ? A ? 124 CD2 1
   ATOM 980 CE1 . PHE A 130 ? -9.36377 44.17026 22.01756 1.000 44.28244 C ? A ? 124 CE1 1
   ATOM 981 CE2 . PHE A 130 ? -11.64774 44.85347 21.86923 1.000 50.32308 C ? A ? 124 CE2 1
   ATOM 982 CZ . PHE A 130 ? -10.72573 43.91216 22.17915 1.000 47.82417 C ? A ? 124 CZ 1
   ATOM 983 N . LYS A 131 ? -11.86496 49.05626 20.47180 1.000 33.65108 N ? A ? 125 N 1
   ATOM 984 CA . LYS A 131 ? -13.23039 49.53636 20.37593 1.000 34.10845 C ? A ? 125 CA 1
   ATOM 985 C . LYS A 131 ? -14.12219 48.43719 19.82743 1.000 35.71844 C ? A ? 125 C 1
   ATOM 986 O . LYS A 131 ? -13.75747 47.74997 18.86175 1.000 36.88574 O ? A ? 125 O 1
   ATOM 987 CB . LYS A 131 ? -13.29895 50.79053 19.51823 1.000 39.10676 C ? A ? 125 CB 1
   ATOM 988 CG . LYS A 131 ? -12.20365 50.88764 18.52453 1.000 35.67613 C ? A ? 125 CG 1
   ATOM 989 CD . LYS A 131 ? -11.98011 52.32281 18.08161 1.000 36.63170 C ? A ? 125 CD 1
   ATOM 990 CE . LYS A 131 ? -11.79728 52.37286 16.57065 1.000 41.34894 C ? A ? 125 CE 1
   ATOM 991 NZ . LYS A 131 ? -11.38878 53.71885 16.11601 1.000 37.86425 N ? A ? 125 NZ 1
   ATOM 992 N . GLU A 132 ? -15.28487 48.26366 20.45915 1.000 42.96282 N ? A ? 126 N 1
   ATOM 993 CA . GLU A 132 ? -16.18100 47.19433 20.04420 1.000 42.49381 C ? A ? 126 CA 1
   ATOM 994 C . GLU A 132 ? -16.62934 47.35590 18.60567 1.000 39.16115 C ? A ? 126 C 1
   ATOM 995 O . GLU A 132 ? -16.93568 46.35280 17.95305 1.000 43.83726 O ? A ? 126 O 1
   ATOM 996 CB . GLU A 132 ? -17.39290 47.11073 20.96805 1.000 42.39571 C ? A ? 126 CB 1
   ATOM 997 CG . GLU A 132 ? -17.01749 46.84843 22.41056 1.000 43.64112 C ? A ? 126 CG 1
   ATOM 998 CD . GLU A 132 ? -16.51057 45.42956 22.66690 1.000 47.90352 C ? A ? 126 CD 1
   ATOM 999 OE1 . GLU A 132 ? -16.84119 44.49136 21.89417 1.000 35.99128 O ? A ? 126 OE1 1
   ATOM 1000 OE2 . GLU A 132 ? -15.77847 45.24866 23.66539 1.000 47.47412 O ? A ? 126 OE2 1
   ATOM 1001 N . ASP A 133 ? -16.66035 48.58284 18.09851 1.000 30.00635 N ? A ? 127 N 1
   ATOM 1002 CA . ASP A 133 ? -17.03986 48.85809 16.72855 1.000 35.06349 C ? A ? 127 CA 1
   ATOM 1003 C . ASP A 133 ? -15.84432 48.93244 15.79127 1.000 34.79177 C ? A ? 127 C 1
   ATOM 1004 O . ASP A 133 ? -16.02663 49.18676 14.59519 1.000 35.79591 O ? A ? 127 O 1
   ATOM 1005 CB . ASP A 133 ? -17.82688 50.16936 16.65485 1.000 45.14471 C ? A ? 127 CB 1
   ATOM 1006 CG . ASP A 133 ? -18.44800 50.39965 15.28178 1.000 55.71237 C ? A ? 127 CG 1
   ATOM 1007 OD1 . ASP A 133 ? -18.72056 49.38766 14.58467 1.000 51.47828 O ? A ? 127 OD1 1
   ATOM 1008 OD2 . ASP A 133 ? -18.63994 51.58132 14.89494 1.000 54.04185 O ? A ? 127 OD2 1
   ATOM 1009 N . GLY A 134 ? -14.63661 48.70325 16.29973 1.000 25.07822 N ? A ? 128 N 1
   ATOM 1010 CA . GLY A 134 ? -13.42817 48.86887 15.51585 1.000 29.82070 C ? A ? 128 CA 1
   ATOM 1011 C . GLY A 134 ? -13.20145 47.72687 14.52939 1.000 26.72291 C ? A ? 128 C 1
   ATOM 1012 O . GLY A 134 ? -14.03596 46.84033 14.34645 1.000 28.42348 O ? A ? 128 O 1
   ATOM 1013 N . ASN A 135 ? -12.02687 47.76211 13.86500 1.000 24.75686 N ? A ? 129 N 1
   ATOM 1014 CA . ASN A 135 ? -11.76957 46.80191 12.79291 1.000 22.60132 C ? A ? 129 CA 1
   ATOM 1015 C . ASN A 135 ? -11.53743 45.39501 13.31839 1.000 26.17474 C ? A ? 129 C 1
   ATOM 1016 O . ASN A 135 ? -11.85832 44.40674 12.64313 1.000 22.80626 O ? A ? 129 O 1
   ATOM 1017 CB . ASN A 135 ? -10.54262 47.22580 11.98911 1.000 26.00424 C ? A ? 129 CB 1
   ATOM 1018 CG . ASN A 135 ? -10.86626 48.27562 11.01521 1.000 29.40637 C ? A ? 129 CG 1
   ATOM 1019 OD1 . ASN A 135 ? -11.99006 48.34218 10.53922 1.000 28.36682 O ? A ? 129 OD1 1
   ATOM 1020 ND2 . ASN A 135 ? -9.91207 49.11831 10.71178 1.000 25.83949 N ? A ? 129 ND2 1
   ATOM 1021 N . ILE A 136 ? -10.96701 45.29002 14.50337 1.000 22.83927 N ? A ? 130 N 1
   ATOM 1022 CA . ILE A 136 ? -10.49900 44.00464 14.97489 1.000 26.97631 C ? A ? 130 CA 1
   ATOM 1023 C . ILE A 136 ? -11.71447 43.28145 15.54812 1.000 27.36495 C ? A ? 130 C 1
   ATOM 1024 O . ILE A 136 ? -12.19591 42.29570 14.97308 1.000 22.27226 O ? A ? 130 O 1
   ATOM 1025 CB . ILE A 136 ? -9.33743 44.16540 15.97477 1.000 19.16425 C ? A ? 130 CB 1
   ATOM 1026 CG1 . ILE A 136 ? -8.08991 44.76702 15.31550 1.000 22.93784 C ? A ? 130 CG1 1
   ATOM 1027 CG2 . ILE A 136 ? -8.97458 42.82586 16.61052 1.000 20.32995 C ? A ? 130 CG2 1
   ATOM 1028 CD1 . ILE A 136 ? -8.15001 46.15516 14.92055 1.000 24.79070 C ? A ? 130 CD1 1
   ATOM 1029 N . LEU A 137 ? -12.30169 43.74018 16.63316 1.000 31.65083 N ? A ? 131 N 1
   ATOM 1030 CA . LEU A 137 ? -13.39895 42.84397 16.97128 1.000 34.91812 C ? A ? 131 CA 1
   ATOM 1031 C . LEU A 137 ? -14.74663 43.27375 16.41467 1.000 36.41338 C ? A ? 131 C 1
   ATOM 1032 O . LEU A 137 ? -15.75866 42.70883 16.82606 1.000 28.16720 O ? A ? 131 O 1
   ATOM 1033 CB . LEU A 137 ? -13.47038 42.55953 18.45207 1.000 38.72100 C ? A ? 131 CB 1
   ATOM 1034 CG . LEU A 137 ? -13.26623 43.49814 19.57349 1.000 40.06366 C ? A ? 131 CG 1
   ATOM 1035 CD1 . LEU A 137 ? -14.32489 44.51355 19.50870 1.000 45.51892 C ? A ? 131 CD1 1
   ATOM 1036 CD2 . LEU A 137 ? -13.47039 42.53278 20.71223 1.000 42.35909 C ? A ? 131 CD2 1
   ATOM 1037 N . GLY A 138 ? -14.76610 44.17437 15.43078 1.000 30.35702 N ? A ? 132 N 1
   ATOM 1038 CA . GLY A 138 ? -15.85831 44.29578 14.49169 1.000 32.46331 C ? A ? 132 CA 1
   ATOM 1039 C . GLY A 138 ? -15.74300 43.50298 13.19008 1.000 28.34243 C ? A ? 132 C 1
   ATOM 1040 O . GLY A 138 ? -16.63481 43.63945 12.34480 1.000 32.60181 O ? A ? 132 O 1
   ATOM 1041 N . HIS A 139 ? -14.68080 42.70466 12.96740 1.000 28.97203 N ? A ? 133 N 1
   ATOM 1042 CA . HIS A 139 ? -14.66678 41.72176 11.86040 1.000 32.18585 C ? A ? 133 CA 1
   ATOM 1043 C . HIS A 139 ? -14.65257 42.41027 10.49393 1.000 29.40185 C ? A ? 133 C 1
   ATOM 1044 O . HIS A 139 ? -15.39343 42.03678 9.58916 1.000 33.14545 O ? A ? 133 O 1
   ATOM 1045 CB . HIS A 139 ? -15.88516 40.77063 11.97754 1.000 41.11988 C ? A ? 133 CB 1
   ATOM 1046 CG . HIS A 139 ? -15.82386 39.48923 11.16589 1.000 52.90186 C ? A ? 133 CG 1
   ATOM 1047 ND1 . HIS A 139 ? -15.12332 39.35492 9.98387 1.000 55.76657 N ? A ? 133 ND1 1
   ATOM 1048 CD2 . HIS A 139 ? -16.42925 38.28821 11.37015 1.000 46.92055 C ? A ? 133 CD2 1
   ATOM 1049 CE1 . HIS A 139 ? -15.29415 38.13430 9.49994 1.000 49.09357 C ? A ? 133 CE1 1
   ATOM 1050 NE2 . HIS A 139 ? -16.08871 37.46946 10.31920 1.000 50.28882 N ? A ? 133 NE2 1
   ATOM 1051 N . LYS A 140 ? -13.81057 43.43719 10.33860 1.000 24.45306 N ? A ? 134 N 1
   ATOM 1052 CA . LYS A 140 ? -13.76435 44.18802 9.09042 1.000 27.98936 C ? A ? 134 CA 1
   ATOM 1053 C . LYS A 140 ? -12.48512 43.91886 8.31509 1.000 31.71887 C ? A ? 134 C 1
   ATOM 1054 O . LYS A 140 ? -12.17114 44.63940 7.36259 1.000 23.21379 O ? A ? 134 O 1
   ATOM 1055 CB . LYS A 140 ? -13.92442 45.68924 9.37314 1.000 24.02032 C ? A ? 134 CB 1
   ATOM 1056 CG . LYS A 140 ? -14.96904 45.98525 10.48523 1.000 32.87204 C ? A ? 134 CG 1
   ATOM 1057 CD . LYS A 140 ? -15.31260 47.47349 10.54986 1.000 38.34572 C ? A ? 134 CD 1
   ATOM 1058 CE . LYS A 140 ? -16.30552 47.80440 11.64687 1.000 44.19647 C ? A ? 134 CE 1
   ATOM 1059 NZ . LYS A 140 ? -16.83831 49.20587 11.49482 1.000 46.11516 N ? A ? 134 NZ 1
   ATOM 1060 N . LEU A 141 ? -11.70264 42.92971 8.72266 1.000 24.11255 N ? A ? 135 N 1
   ATOM 1061 CA . LEU A 141 ? -10.46545 42.66907 8.01733 1.000 24.63756 C ? A ? 135 CA 1
   ATOM 1062 C . LEU A 141 ? -10.67692 41.52619 7.04285 1.000 20.06344 C ? A ? 135 C 1
   ATOM 1063 O . LEU A 141 ? -11.30326 40.51407 7.39113 1.000 28.21005 O ? A ? 135 O 1
   ATOM 1064 CB . LEU A 141 ? -9.33858 42.32991 8.99735 1.000 18.10709 C ? A ? 135 CB 1
   ATOM 1065 CG . LEU A 141 ? -9.03948 43.47327 9.98217 1.000 21.57157 C ? A ? 135 CG 1
   ATOM 1066 CD1 . LEU A 141 ? -7.95105 43.12710 10.96717 1.000 22.58594 C ? A ? 135 CD1 1
   ATOM 1067 CD2 . LEU A 141 ? -8.67645 44.75398 9.24180 1.000 21.93424 C ? A ? 135 CD2 1
   ATOM 1068 N . GLU A 142 ? -10.07594 41.64656 5.86266 1.000 24.39094 N ? A ? 136 N 1
   ATOM 1069 CA . GLU A 142 ? -10.29907 40.60698 4.88078 1.000 27.03966 C ? A ? 136 CA 1
   ATOM 1070 C . GLU A 142 ? -9.40685 39.39013 5.16022 1.000 25.82392 C ? A ? 136 C 1
   ATOM 1071 O . GLU A 142 ? -8.49901 39.40862 5.99016 1.000 18.42209 O ? A ? 136 O 1
   ATOM 1072 CB . GLU A 142 ? -10.17140 41.13387 3.44432 1.000 34.94459 C ? A ? 136 CB 1
   ATOM 1073 CG . GLU A 142 ? -8.96939 41.89181 3.05945 1.000 38.48715 C ? A ? 136 CG 1
   ATOM 1074 CD . GLU A 142 ? -8.88064 42.15052 1.54054 1.000 26.06434 C ? A ? 136 CD 1
   ATOM 1075 OE1 . GLU A 142 ? -9.89442 42.53996 0.92164 1.000 39.45984 O ? A ? 136 OE1 1
   ATOM 1076 OE2 . GLU A 142 ? -7.78779 41.96979 0.96674 1.000 35.23217 O ? A ? 136 OE2 1
   ATOM 1077 N . TYR A 143 ? -9.75003 38.28534 4.50556 1.000 27.27233 N ? A ? 137 N 1
   ATOM 1078 CA . TYR A 143 ? -9.29881 36.94753 4.90747 1.000 26.79135 C ? A ? 137 CA 1
   ATOM 1079 C . TYR A 143 ? -7.98357 36.61178 4.20711 1.000 27.12734 C ? A ? 137 C 1
   ATOM 1080 O . TYR A 143 ? -7.90040 35.78913 3.30895 1.000 23.88139 O ? A ? 137 O 1
   ATOM 1081 CB . TYR A 143 ? -10.39196 35.91223 4.60294 1.000 31.30837 C ? A ? 137 CB 1
   ATOM 1082 CG . TYR A 143 ? -10.83754 35.80214 3.11395 1.000 44.50325 C ? A ? 137 CG 1
   ATOM 1083 CD1 . TYR A 143 ? -10.06059 35.14744 2.16790 1.000 43.30460 C ? A ? 137 CD1 1
   ATOM 1084 CD2 . TYR A 143 ? -12.06454 36.29637 2.68153 1.000 45.23398 C ? A ? 137 CD2 1
   ATOM 1085 CE1 . TYR A 143 ? -10.43394 35.08071 0.85141 1.000 48.70864 C ? A ? 137 CE1 1
   ATOM 1086 CE2 . TYR A 143 ? -12.46358 36.22066 1.35876 1.000 46.26897 C ? A ? 137 CE2 1
   ATOM 1087 CZ . TYR A 143 ? -11.65238 35.58985 0.45879 1.000 52.26556 C ? A ? 137 CZ 1
   ATOM 1088 OH . TYR A 143 ? -12.01882 35.49519 -0.85305 1.000 49.44186 O ? A ? 137 OH 1
   ATOM 1089 N . ASN A 144 ? -6.91255 37.25913 4.64303 1.000 15.57520 N ? A ? 138 N 1
   ATOM 1090 CA . ASN A 144 ? -5.66189 37.13457 3.91237 1.000 21.35726 C ? A ? 138 CA 1
   ATOM 1091 C . ASN A 144 ? -4.60610 37.81004 4.76142 1.000 21.67895 C ? A ? 138 C 1
   ATOM 1092 O . ASN A 144 ? -4.91172 38.43293 5.78147 1.000 19.19103 O ? A ? 138 O 1
   ATOM 1093 CB . ASN A 144 ? -5.73905 37.79673 2.53601 1.000 23.41404 C ? A ? 138 CB 1
   ATOM 1094 CG . ASN A 144 ? -6.33802 39.16131 2.63731 1.000 31.61760 C ? A ? 138 CG 1
   ATOM 1095 OD1 . ASN A 144 ? -5.66374 40.13328 3.00609 1.000 31.34491 O ? A ? 138 OD1 1
   ATOM 1096 ND2 . ASN A 144 ? -7.67949 39.21683 2.45862 1.000 36.85116 N ? A ? 138 ND2 1
   ATOM 1097 N . LEU A 145 ? -3.36717 37.65559 4.34511 1.000 16.28033 N ? A ? 139 N 1
   ATOM 1098 CA . LEU A 145 ? -2.27860 38.37795 4.99490 1.000 18.16878 C ? A ? 139 CA 1
   ATOM 1099 C . LEU A 145 ? -1.14589 38.48994 3.99534 1.000 19.88180 C ? A ? 139 C 1
   ATOM 1100 O . LEU A 145 ? -0.66509 37.48055 3.48653 1.000 21.63651 O ? A ? 139 O 1
   ATOM 1101 CB . LEU A 145 ? -1.83826 37.65670 6.25736 1.000 21.46586 C ? A ? 139 CB 1
   ATOM 1102 CG . LEU A 145 ? -0.77016 38.37890 7.07610 1.000 23.96844 C ? A ? 139 CG 1
   ATOM 1103 CD1 . LEU A 145 ? -1.31372 39.72299 7.58483 1.000 21.43125 C ? A ? 139 CD1 1
   ATOM 1104 CD2 . LEU A 145 ? -0.33028 37.51200 8.22314 1.000 24.91519 C ? A ? 139 CD2 1
   ATOM 1105 N . ASN A 146 ? -0.74250 39.70642 3.71307 1.000 16.60434 N ? A ? 140 N 1
   ATOM 1106 CA . ASN A 146 ? 0.22073 39.89574 2.67032 1.000 24.20613 C ? A ? 140 CA 1
   ATOM 1107 C . ASN A 146 ? 1.62212 39.60335 3.18303 1.000 22.62365 C ? A ? 140 C 1
   ATOM 1108 O . ASN A 146 ? 1.84537 39.38972 4.39639 1.000 20.23481 O ? A ? 140 O 1
   ATOM 1109 CB . ASN A 146 ? 0.07017 41.29701 2.12147 1.000 22.96221 C ? A ? 140 CB 1
   ATOM 1110 CG . ASN A 146 ? -1.07468 41.36689 1.16540 1.000 27.90043 C ? A ? 140 CG 1
   ATOM 1111 OD1 . ASN A 146 ? -1.36636 40.37775 0.46030 1.000 24.15648 O ? A ? 140 OD1 1
   ATOM 1112 ND2 . ASN A 146 ? -1.76908 42.46874 1.16789 1.000 29.78117 N ? A ? 140 ND2 1
   ATOM 1113 N . SER A 147 ? 2.56730 39.58650 2.23433 1.000 15.97322 N ? A ? 141 N 1
   ATOM 1114 CA . SER A 147 ? 3.93970 39.19468 2.50758 1.000 17.84814 C ? A ? 141 CA 1
   ATOM 1115 C . SER A 147 ? 4.60303 40.32606 3.26347 1.000 17.35063 C ? A ? 141 C 1
   ATOM 1116 O . SER A 147 ? 4.26083 41.50321 3.07978 1.000 19.12128 O ? A ? 141 O 1
   ATOM 1117 CB . SER A 147 ? 4.68427 38.91793 1.20453 1.000 23.53583 C ? A ? 141 CB 1
   ATOM 1118 OG . SER A 147 ? 4.65154 40.07455 0.38714 1.000 26.03835 O ? A ? 141 OG 1
   ATOM 1119 N . HIS A 148 ? 5.55903 39.96736 4.12909 1.000 19.91103 N ? A ? 142 N 1
   ATOM 1120 CA . HIS A 148 ? 6.22915 40.96765 4.94843 1.000 19.31506 C ? A ? 142 CA 1
   ATOM 1121 C . HIS A 148 ? 7.66407 40.57607 5.19504 1.000 18.43859 C ? A ? 142 C 1
   ATOM 1122 O . HIS A 148 ? 8.01893 39.39849 5.16107 1.000 18.60632 O ? A ? 142 O 1
   ATOM 1123 CB . HIS A 148 ? 5.52293 41.15487 6.29588 1.000 22.08388 C ? A ? 142 CB 1
   ATOM 1124 CG . HIS A 148 ? 5.89683 40.15505 7.36518 1.000 34.61340 C ? A ? 142 CG 1
   ATOM 1125 ND1 . HIS A 148 ? 6.07242 38.78655 7.15670 1.000 41.08757 N ? A ? 142 ND1 1
   ATOM 1126 CD2 . HIS A 148 ? 6.11471 40.36237 8.68783 1.000 34.33829 C ? A ? 142 CD2 1
   ATOM 1127 CE1 . HIS A 148 ? 6.32737 38.20648 8.32726 1.000 39.23045 C ? A ? 142 CE1 1
   ATOM 1128 NE2 . HIS A 148 ? 6.40763 39.14591 9.25455 1.000 38.66913 N ? A ? 142 NE2 1
   ATOM 1129 N . ASN A 149 ? 8.48097 41.58911 5.44137 1.000 18.70326 N ? A ? 143 N 1
   ATOM 1130 CA . ASN A 149 ? 9.85637 41.40030 5.86851 1.000 18.14069 C ? A ? 143 CA 1
   ATOM 1131 C . ASN A 149 ? 10.01462 41.84783 7.31155 1.000 19.95499 C ? A ? 143 C 1
   ATOM 1132 O . ASN A 149 ? 9.50012 42.89977 7.71217 1.000 22.54163 O ? A ? 143 O 1
   ATOM 1133 CB . ASN A 149 ? 10.81494 42.18727 4.99563 1.000 19.33494 C ? A ? 143 CB 1
   ATOM 1134 CG . ASN A 149 ? 10.74522 41.79590 3.55048 1.000 28.25909 C ? A ? 143 CG 1
   ATOM 1135 OD1 . ASN A 149 ? 10.89342 40.61571 3.20077 1.000 28.04063 O ? A ? 143 OD1 1
   ATOM 1136 ND2 . ASN A 149 ? 10.52138 42.78653 2.68688 1.000 29.85928 N ? A ? 143 ND2 1
   ATOM 1137 N . ALA A 150 ? 10.76374 41.06896 8.08032 1.000 17.97895 N ? A ? 144 N 1
   ATOM 1138 CA . ALA A 150 ? 11.00181 41.40137 9.47880 1.000 19.65908 C ? A ? 144 CA 1
   ATOM 1139 C . ALA A 150 ? 12.50239 41.46441 9.67585 1.000 13.33432 C ? A ? 144 C 1
   ATOM 1140 O . ALA A 150 ? 13.20200 40.47136 9.43454 1.000 16.55201 O ? A ? 144 O 1
   ATOM 1141 CB . ALA A 150 ? 10.39093 40.36336 10.42227 1.000 18.47091 C ? A ? 144 CB 1
   ATOM 1142 N . TYR A 151 ? 13.02180 42.62983 10.07591 1.000 16.77951 N ? A ? 145 N 1
   ATOM 1143 CA . TYR A 151 ? 14.46527 42.71630 10.28787 1.000 16.49876 C ? A ? 145 CA 1
   ATOM 1144 C . TYR A 151 ? 14.81659 42.22076 11.68894 1.000 16.55091 C ? A ? 145 C 1
   ATOM 1145 O . TYR A 151 ? 14.23393 42.67329 12.68721 1.000 18.67865 O ? A ? 145 O 1
   ATOM 1146 CB . TYR A 151 ? 14.95693 44.14674 10.10473 1.000 19.12502 C ? A ? 145 CB 1
   ATOM 1147 CG . TYR A 151 ? 15.04789 44.61515 8.68134 1.000 29.00301 C ? A ? 145 CG 1
   ATOM 1148 CD1 . TYR A 151 ? 16.27746 44.92327 8.11405 1.000 38.72230 C ? A ? 145 CD1 1
   ATOM 1149 CD2 . TYR A 151 ? 13.90542 44.76035 7.90456 1.000 32.01244 C ? A ? 145 CD2 1
   ATOM 1150 CE1 . TYR A 151 ? 16.35603 45.35785 6.80322 1.000 40.59608 C ? A ? 145 CE1 1
   ATOM 1151 CE2 . TYR A 151 ? 13.97642 45.18575 6.59568 1.000 32.86693 C ? A ? 145 CE2 1
   ATOM 1152 CZ . TYR A 151 ? 15.19570 45.49347 6.05104 1.000 45.86183 C ? A ? 145 CZ 1
   ATOM 1153 OH . TYR A 151 ? 15.24573 45.94014 4.75143 1.000 56.07843 O ? A ? 145 OH 1
   ATOM 1154 N . ILE A 152 ? 15.75612 41.27707 11.74783 1.000 18.18221 N ? A ? 146 N 1
   ATOM 1155 CA . ILE A 152 ? 16.21401 40.64309 12.97869 1.000 18.49360 C ? A ? 146 CA 1
   ATOM 1156 C . ILE A 152 ? 17.53901 41.27691 13.40262 1.000 22.40736 C ? A ? 146 C 1
   ATOM 1157 O . ILE A 152 ? 18.46328 41.38972 12.58798 1.000 24.10909 O ? A ? 146 O 1
   ATOM 1158 CB . ILE A 152 ? 16.37575 39.12834 12.75933 1.000 20.78289 C ? A ? 146 CB 1
   ATOM 1159 CG1 . ILE A 152 ? 15.09603 38.51204 12.13287 1.000 17.44821 C ? A ? 146 CG1 1
   ATOM 1160 CG2 . ILE A 152 ? 16.80315 38.44520 14.06471 1.000 20.11315 C ? A ? 146 CG2 1
   ATOM 1161 CD1 . ILE A 152 ? 13.80394 38.63167 12.95197 1.000 23.25373 C ? A ? 146 CD1 1
   ATOM 1162 N . THR A 153 ? 17.63515 41.68031 14.67057 1.000 20.52839 N ? A ? 147 N 1
   ATOM 1163 CA . THR A 153 ? 18.87652 42.19098 15.25211 1.000 18.98646 C ? A ? 147 CA 1
   ATOM 1164 C . THR A 153 ? 19.22140 41.41840 16.51459 1.000 19.65735 C ? A ? 147 C 1
   ATOM 1165 O . THR A 153 ? 18.35366 40.90682 17.21329 1.000 20.99653 O ? A ? 147 O 1
   ATOM 1166 CB . THR A 153 ? 18.82351 43.66776 15.60589 1.000 21.55166 C ? A ? 147 CB 1
   ATOM 1167 OG1 . THR A 153 ? 17.76805 43.89242 16.54942 1.000 26.64266 O ? A ? 147 OG1 1
   ATOM 1168 CG2 . THR A 153 ? 18.60480 44.49764 14.34463 1.000 20.45623 C ? A ? 147 CG2 1
   ATOM 1169 N . ALA A 154 ? 20.51367 41.36769 16.82671 1.000 21.12695 N ? A ? 148 N 1
   ATOM 1170 CA . ALA A 154 ? 20.92373 40.66563 18.02514 1.000 20.70066 C ? A ? 148 CA 1
   ATOM 1171 C . ALA A 154 ? 20.60105 41.49585 19.26148 1.000 22.85503 C ? A ? 148 C 1
   ATOM 1172 O . ALA A 154 ? 20.78481 42.71617 19.28082 1.000 28.95786 O ? A ? 148 O 1
   ATOM 1173 CB . ALA A 154 ? 22.42575 40.36969 17.96153 1.000 22.00928 C ? A ? 148 CB 1
   ATOM 1174 N . ASP A 155 ? 20.08535 40.82576 20.28880 1.000 25.33386 N ? A ? 149 N 1
   ATOM 1175 CA . ASP A 155 ? 19.83797 41.40067 21.60688 1.000 27.06940 C ? A ? 149 CA 1
   ATOM 1176 C . ASP A 155 ? 20.87052 40.78845 22.56180 1.000 40.55262 C ? A ? 149 C 1
   ATOM 1177 O . ASP A 155 ? 20.58781 39.83288 23.29195 1.000 34.96947 O ? A ? 149 O 1
   ATOM 1178 CB . ASP A 155 ? 18.36402 41.10716 22.05886 1.000 33.93989 C ? A ? 149 CB 1
   ATOM 1179 CG . ASP A 155 ? 17.97249 41.87518 23.31016 1.000 39.57720 C ? A ? 149 CG 1
   ATOM 1180 OD1 . ASP A 155 ? 18.80349 41.97836 24.25003 1.000 43.85318 O ? A ? 149 OD1 1
   ATOM 1181 OD2 . ASP A 155 ? 16.82405 42.37921 23.36037 1.000 43.83617 O ? A ? 149 OD2 1
   ATOM 1182 N . LYS A 156 ? 22.08826 41.34826 22.55296 1.000 39.21485 N ? A ? 150 N 1
   ATOM 1183 CA . LYS A 156 ? 23.21103 40.66326 23.20468 1.000 41.04263 C ? A ? 150 CA 1
   ATOM 1184 C . LYS A 156 ? 23.09201 40.64435 24.73022 1.000 43.63097 C ? A ? 150 C 1
   ATOM 1185 O . LYS A 156 ? 23.60406 39.71967 25.37770 1.000 43.51228 O ? A ? 150 O 1
   ATOM 1186 CB . LYS A 156 ? 24.54311 41.29700 22.78025 1.000 45.69188 C ? A ? 150 CB 1
   ATOM 1187 CG . LYS A 156 ? 24.43739 42.71474 22.26125 1.000 46.51404 C ? A ? 150 CG 1
   ATOM 1188 CD . LYS A 156 ? 25.74397 43.21579 21.65026 1.000 55.05919 C ? A ? 150 CD 1
   ATOM 1189 CE . LYS A 156 ? 25.95187 42.74198 20.21019 1.000 45.04623 C ? A ? 150 CE 1
   ATOM 1190 NZ . LYS A 156 ? 27.01795 43.57875 19.53470 1.000 54.76211 N ? A ? 150 NZ 1
   ATOM 1191 N . GLN A 157 ? 22.43291 41.64116 25.32395 1.000 38.51747 N ? A ? 151 N 1
   ATOM 1192 CA . GLN A 157 ? 22.30480 41.67358 26.77717 1.000 42.91432 C ? A ? 151 CA 1
   ATOM 1193 C . GLN A 157 ? 21.39672 40.55519 27.28027 1.000 40.11571 C ? A ? 151 C 1
   ATOM 1194 O . GLN A 157 ? 21.65143 39.97196 28.34040 1.000 44.69147 O ? A ? 151 O 1
   ATOM 1195 CB . GLN A 157 ? 21.78241 43.04045 27.22343 1.000 40.43905 C ? A ? 151 CB 1
   ATOM 1196 CG . GLN A 157 ? 22.31317 43.50612 28.57415 1.000 49.92364 C ? A ? 151 CG 1
   ATOM 1197 CD . GLN A 157 ? 23.42983 44.54165 28.45262 1.000 58.69339 C ? A ? 151 CD 1
   ATOM 1198 OE1 . GLN A 157 ? 23.18334 45.71647 28.13814 1.000 50.22050 O ? A ? 151 OE1 1
   ATOM 1199 NE2 . GLN A 157 ? 24.66555 44.11070 28.70394 1.000 52.75506 N ? A ? 151 NE2 1
   ATOM 1200 N . LYS A 158 ? 20.32345 40.25361 26.54849 1.000 34.23451 N ? A ? 152 N 1
   ATOM 1201 CA . LYS A 158 ? 19.46540 39.11777 26.85498 1.000 34.38063 C ? A ? 152 CA 1
   ATOM 1202 C . LYS A 158 ? 19.89454 37.84488 26.13630 1.000 35.47610 C ? A ? 152 C 1
   ATOM 1203 O . LYS A 158 ? 19.16584 36.85441 26.18246 1.000 28.57952 O ? A ? 152 O 1
   ATOM 1204 CB . LYS A 158 ? 18.00786 39.42293 26.49832 1.000 36.37563 C ? A ? 152 CB 1
   ATOM 1205 CG . LYS A 158 ? 17.37929 40.53349 27.31258 1.000 34.83549 C ? A ? 152 CG 1
   ATOM 1206 CD . LYS A 158 ? 15.87793 40.33534 27.43042 1.000 43.64280 C ? A ? 152 CD 1
   ATOM 1207 CE . LYS A 158 ? 15.10104 41.64404 27.23803 1.000 50.18102 C ? A ? 152 CE 1
   ATOM 1208 NZ . LYS A 158 ? 13.61693 41.40865 27.23623 1.000 48.54046 N ? A ? 152 NZ 1
   ATOM 1209 N . ASN A 159 ? 21.04392 37.85279 25.46156 1.000 27.62847 N ? A ? 153 N 1
   ATOM 1210 CA . ASN A 159 ? 21.51888 36.67464 24.72639 1.000 28.35880 C ? A ? 153 CA 1
   ATOM 1211 C . ASN A 159 ? 20.44372 36.17068 23.76650 1.000 29.20094 C ? A ? 153 C 1
   ATOM 1212 O . ASN A 159 ? 20.27081 34.96695 23.56632 1.000 26.46755 O ? A ? 153 O 1
   ATOM 1213 CB . ASN A 159 ? 21.96733 35.55894 25.67770 1.000 26.19788 C ? A ? 153 CB 1
   ATOM 1214 CG . ASN A 159 ? 22.99281 34.63235 25.04425 1.000 30.09563 C ? A ? 153 CG 1
   ATOM 1215 OD1 . ASN A 159 ? 23.76597 35.03724 24.16336 1.000 36.64817 O ? A ? 153 OD1 1
   ATOM 1216 ND2 . ASN A 159 ? 23.01503 33.38521 25.49112 1.000 31.04819 N ? A ? 153 ND2 1
   ATOM 1217 N . GLY A 160 ? 19.71818 37.11133 23.16563 1.000 22.08369 N ? A ? 154 N 1
   ATOM 1218 CA . GLY A 160 ? 18.63280 36.75064 22.26900 1.000 23.18304 C ? A ? 154 CA 1
   ATOM 1219 C . GLY A 160 ? 18.51798 37.60790 21.01751 1.000 27.25335 C ? A ? 154 C 1
   ATOM 1220 O . GLY A 160 ? 19.51708 38.12849 20.49743 1.000 23.01661 O ? A ? 154 O 1
   ATOM 1221 N . ILE A 161 ? 17.28507 37.80423 20.52746 1.000 19.66362 N ? A ? 155 N 1
   ATOM 1222 CA . ILE A 161 ? 17.07887 38.64488 19.36196 1.000 15.30711 C ? A ? 155 CA 1
   ATOM 1223 C . ILE A 161 ? 15.89794 39.57210 19.59897 1.000 17.23799 C ? A ? 155 C 1
   ATOM 1224 O . ILE A 161 ? 15.07129 39.34917 20.50069 1.000 18.01405 O ? A ? 155 O 1
   ATOM 1225 CB . ILE A 161 ? 16.89932 37.82764 18.04515 1.000 17.11079 C ? A ? 155 CB 1
   ATOM 1226 CG1 . ILE A 161 ? 15.65099 36.91530 17.94459 1.000 17.59423 C ? A ? 155 CG1 1
   ATOM 1227 CG2 . ILE A 161 ? 18.19983 37.05542 17.64556 1.000 21.36135 C ? A ? 155 CG2 1
   ATOM 1228 CD1 . ILE A 161 ? 14.40876 37.61111 17.46809 1.000 19.83878 C ? A ? 155 CD1 1
   ATOM 1229 N . LYS A 162 ? 15.84386 40.64221 18.79097 1.000 16.54591 N ? A ? 156 N 1
   ATOM 1230 CA . LYS A 162 ? 14.68783 41.53309 18.75739 1.000 19.72217 C ? A ? 156 CA 1
   ATOM 1231 C . LYS A 162 ? 14.31486 41.83937 17.31048 1.000 17.87179 C ? A ? 156 C 1
   ATOM 1232 O . LYS A 162 ? 15.09838 41.65143 16.37425 1.000 16.20268 O ? A ? 156 O 1
   ATOM 1233 CB . LYS A 162 ? 14.93529 42.81921 19.53965 1.000 18.60256 C ? A ? 156 CB 1
   ATOM 1234 CG . LYS A 162 ? 16.35486 43.35781 19.32550 1.000 27.94890 C ? A ? 156 CG 1
   ATOM 1235 CD . LYS A 162 ? 16.56738 44.60371 20.17125 1.000 36.84431 C ? A ? 156 CD 1
   ATOM 1236 CE . LYS A 162 ? 17.91206 44.56129 20.84842 1.000 42.56660 C ? A ? 156 CE 1
   ATOM 1237 NZ . LYS A 162 ? 18.98160 44.81201 19.79249 1.000 41.58410 N ? A ? 156 NZ 1
   ATOM 1238 N . SER A 163 ? 13.10677 42.33333 17.13686 1.000 17.37896 N ? A ? 157 N 1
   ATOM 1239 CA . SER A 163 ? 12.63131 42.73949 15.82056 1.000 13.49863 C ? A ? 157 CA 1
   ATOM 1240 C . SER A 163 ? 11.47709 43.70071 16.01845 1.000 14.99473 C ? A ? 157 C 1
   ATOM 1241 O . SER A 163 ? 10.68214 43.54410 16.95238 1.000 15.83333 O ? A ? 157 O 1
   ATOM 1242 CB . SER A 163 ? 12.15931 41.54340 14.99597 1.000 20.14704 C ? A ? 157 CB 1
   ATOM 1243 OG . SER A 163 ? 11.74473 41.95289 13.70218 1.000 19.92360 O ? A ? 157 OG 1
   ATOM 1244 N . ASN A 164 ? 11.36458 44.68149 15.13713 1.000 14.40048 N ? A ? 158 N 1
   ATOM 1245 CA . ASN A 164 ? 10.11400 45.41440 15.08053 1.000 13.70716 C ? A ? 158 CA 1
   ATOM 1246 C . ASN A 164 ? 9.73904 45.61497 13.62146 1.000 13.93101 C ? A ? 158 C 1
   ATOM 1247 O . ASN A 164 ? 10.61067 45.80295 12.76215 1.000 16.76906 O ? A ? 158 O 1
   ATOM 1248 CB . ASN A 164 ? 10.19349 46.73469 15.88389 1.000 19.04453 C ? A ? 158 CB 1
   ATOM 1249 CG . ASN A 164 ? 10.99028 47.77770 15.19414 1.000 24.79480 C ? A ? 158 CG 1
   ATOM 1250 OD1 . ASN A 164 ? 10.46261 48.50243 14.34074 1.000 24.42300 O ? A ? 158 OD1 1
   ATOM 1251 ND2 . ASN A 164 ? 12.28395 47.87122 15.54383 1.000 30.00607 N ? A ? 158 ND2 1
   ATOM 1252 N . PHE A 165 ? 8.44464 45.50168 13.33312 1.000 14.94695 N ? A ? 159 N 1
   ATOM 1253 CA . PHE A 165 ? 8.00633 45.53810 11.96181 1.000 17.93415 C ? A ? 159 CA 1
   ATOM 1254 C . PHE A 165 ? 6.53826 45.90863 11.96384 1.000 12.18687 C ? A ? 159 C 1
   ATOM 1255 O . PHE A 165 ? 5.81796 45.67401 12.94116 1.000 15.50629 O ? A ? 159 O 1
   ATOM 1256 CB . PHE A 165 ? 8.27147 44.18363 11.27497 1.000 18.18826 C ? A ? 159 CB 1
   ATOM 1257 CG . PHE A 165 ? 7.69818 42.98615 12.01229 1.000 24.76096 C ? A ? 159 CG 1
   ATOM 1258 CD1 . PHE A 165 ? 8.44987 42.28326 12.93920 1.000 24.54449 C ? A ? 159 CD1 1
   ATOM 1259 CD2 . PHE A 165 ? 6.42140 42.54906 11.74442 1.000 20.79011 C ? A ? 159 CD2 1
   ATOM 1260 CE1 . PHE A 165 ? 7.92828 41.17567 13.59260 1.000 22.88311 C ? A ? 159 CE1 1
   ATOM 1261 CE2 . PHE A 165 ? 5.88923 41.41425 12.38373 1.000 24.57427 C ? A ? 159 CE2 1
   ATOM 1262 CZ . PHE A 165 ? 6.64023 40.74423 13.31698 1.000 27.18422 C ? A ? 159 CZ 1
   ATOM 1263 N . LYS A 166 ? 6.07727 46.47050 10.85802 1.000 12.96195 N ? A ? 160 N 1
   ATOM 1264 CA . LYS A 166 ? 4.65863 46.81622 10.71803 1.000 15.30522 C ? A ? 160 CA 1
   ATOM 1265 C . LYS A 166 ? 3.94590 45.78914 9.84525 1.000 17.93579 C ? A ? 160 C 1
   ATOM 1266 O . LYS A 166 ? 4.44332 45.43773 8.76502 1.000 24.37634 O ? A ? 160 O 1
   ATOM 1267 CB . LYS A 166 ? 4.51906 48.22734 10.12256 1.000 21.59468 C ? A ? 160 CB 1
   ATOM 1268 CG . LYS A 166 ? 5.14701 49.35487 10.99750 1.000 23.79072 C ? A ? 160 CG 1
   ATOM 1269 CD . LYS A 166 ? 5.00654 50.77533 10.35550 1.000 37.94215 C ? A ? 160 CD 1
   ATOM 1270 CE . LYS A 166 ? 5.86953 51.03862 9.05445 1.000 41.30854 C ? A ? 160 CE 1
   ATOM 1271 NZ . LYS A 166 ? 6.52932 49.86277 8.31503 1.000 33.31650 N ? A ? 160 NZ 1
   ATOM 1272 N . ILE A 167 ? 2.78005 45.29041 10.32931 1.000 14.76028 N ? A ? 161 N 1
   ATOM 1273 CA . ILE A 167 ? 1.90563 44.44300 9.52640 1.000 17.44054 C ? A ? 161 CA 1
   ATOM 1274 C . ILE A 167 ? 0.78639 45.30528 8.96947 1.000 16.92499 C ? A ? 161 C 1
   ATOM 1275 O . ILE A 167 ? 0.23797 46.13331 9.68086 1.000 17.42427 O ? A ? 161 O 1
   ATOM 1276 CB . ILE A 167 ? 1.33984 43.27127 10.34048 1.000 19.63835 C ? A ? 161 CB 1
   ATOM 1277 CG1 . ILE A 167 ? 2.48261 42.33550 10.72870 1.000 15.92800 C ? A ? 161 CG1 1
   ATOM 1278 CG2 . ILE A 167 ? 0.31508 42.53158 9.47956 1.000 14.75194 C ? A ? 161 CG2 1
   ATOM 1279 CD1 . ILE A 167 ? 2.97755 41.40154 9.59282 1.000 23.21699 C ? A ? 161 CD1 1
   ATOM 1280 N . ARG A 168 ? 0.46690 45.11961 7.68534 1.000 15.97217 N ? A ? 162 N 1
   ATOM 1281 CA . ARG A 168 ? -0.56083 45.90669 7.00391 1.000 18.06989 C ? A ? 162 CA 1
   ATOM 1282 C . ARG A 168 ? -1.72185 44.96526 6.71160 1.000 19.02777 C ? A ? 162 C 1
   ATOM 1283 O . ARG A 168 ? -1.59559 44.09381 5.84531 1.000 24.44282 O ? A ? 162 O 1
   ATOM 1284 CB . ARG A 168 ? 0.00309 46.53123 5.72340 1.000 22.58725 C ? A ? 162 CB 1
   ATOM 1285 CG . ARG A 168 ? 0.97395 47.66403 5.94140 1.000 32.35496 C ? A ? 162 CG 1
   ATOM 1286 CD . ARG A 168 ? 0.45251 48.98879 5.34626 1.000 42.28142 C ? A ? 162 CD 1
   ATOM 1287 NE . ARG A 168 ? 0.20521 48.96105 3.90622 1.000 53.72962 N ? A ? 162 NE 1
   ATOM 1288 CZ . ARG A 168 ? -0.09670 50.02326 3.16712 1.000 52.61694 C ? A ? 162 CZ 1
   ATOM 1289 NH1 . ARG A 168 ? -0.19808 51.23388 3.69586 1.000 53.06045 N ? A ? 162 NH1 1
   ATOM 1290 NH2 . ARG A 168 ? -0.30390 49.86680 1.86315 1.000 58.82061 N ? A ? 162 NH2 1
   ATOM 1291 N . HIS A 169 ? -2.82215 45.11695 7.43578 1.000 17.22567 N ? A ? 163 N 1
   ATOM 1292 CA . HIS A 169 ? -3.99483 44.25451 7.30416 1.000 20.04298 C ? A ? 163 CA 1
   ATOM 1293 C . HIS A 169 ? -4.99996 44.96210 6.40192 1.000 22.50339 C ? A ? 163 C 1
   ATOM 1294 O . HIS A 169 ? -5.35194 46.11333 6.65381 1.000 21.50635 O ? A ? 163 O 1
   ATOM 1295 CB . HIS A 169 ? -4.68927 43.98948 8.64585 1.000 19.38154 C ? A ? 163 CB 1
   ATOM 1296 CG . HIS A 169 ? -3.89282 43.20034 9.64835 1.000 18.65063 C ? A ? 163 CG 1
   ATOM 1297 ND1 . HIS A 169 ? -3.59118 41.87012 9.48095 1.000 16.01299 N ? A ? 163 ND1 1
   ATOM 1298 CD2 . HIS A 169 ? -3.39484 43.54446 10.86428 1.000 19.96396 C ? A ? 163 CD2 1
   ATOM 1299 CE1 . HIS A 169 ? -2.95986 41.41946 10.55134 1.000 14.84831 C ? A ? 163 CE1 1
   ATOM 1300 NE2 . HIS A 169 ? -2.78546 42.42195 11.38798 1.000 18.86456 N ? A ? 163 NE2 1
   ATOM 1301 N . ASN A 170 ? -5.51161 44.25527 5.39875 1.000 19.14502 N ? A ? 164 N 1
   ATOM 1302 CA . ASN A 170 ? -6.47288 44.84716 4.47756 1.000 18.51732 C ? A ? 164 CA 1
   ATOM 1303 C . ASN A 170 ? -7.84096 44.91907 5.12791 1.000 21.94188 C ? A ? 164 C 1
   ATOM 1304 O . ASN A 170 ? -8.33022 43.92637 5.68041 1.000 20.54609 O ? A ? 164 O 1
   ATOM 1305 CB . ASN A 170 ? -6.56401 44.03095 3.18557 1.000 19.28370 C ? A ? 164 CB 1
   ATOM 1306 CG . ASN A 170 ? -5.46335 44.32312 2.20513 1.000 24.92295 C ? A ? 164 CG 1
   ATOM 1307 OD1 . ASN A 170 ? -4.85110 45.34886 2.26697 1.000 24.10381 O ? A ? 164 OD1 1
   ATOM 1308 ND2 . ASN A 170 ? -5.22634 43.39616 1.25653 1.000 24.62985 N ? A ? 164 ND2 1
   ATOM 1309 N . VAL A 171 ? -8.45378 46.12705 5.08101 1.000 19.55646 N ? A ? 165 N 1
   ATOM 1310 CA . VAL A 171 ? -9.77773 46.37989 5.61344 1.000 23.07165 C ? A ? 165 CA 1
   ATOM 1311 C . VAL A 171 ? -10.75405 46.25465 4.45623 1.000 25.20077 C ? A ? 165 C 1
   ATOM 1312 O . VAL A 171 ? -10.42690 46.57345 3.30042 1.000 25.07074 O ? A ? 165 O 1
   ATOM 1313 CB . VAL A 171 ? -9.84709 47.76716 6.29459 1.000 18.15804 C ? A ? 165 CB 1
   ATOM 1314 CG1 . VAL A 171 ? -11.14024 47.92072 7.05046 1.000 26.48677 C ? A ? 165 CG1 1
   ATOM 1315 CG2 . VAL A 171 ? -8.62852 47.96518 7.20243 1.000 22.34535 C ? A ? 165 CG2 1
   ATOM 1316 N . GLU A 172 ? -11.94765 45.75175 4.77609 1.000 26.74270 N ? A ? 166 N 1
   ATOM 1317 CA . GLU A 172 ? -12.93546 45.43795 3.74764 1.000 29.70740 C ? A ? 166 CA 1
   ATOM 1318 C . GLU A 172 ? -13.20083 46.61036 2.82719 1.000 35.18868 C ? A ? 166 C 1
   ATOM 1319 O . GLU A 172 ? -13.42640 46.41848 1.62584 1.000 28.35275 O ? A ? 166 O 1
   ATOM 1320 CB . GLU A 172 ? -14.23323 44.99836 4.39969 1.000 32.41902 C ? A ? 166 CB 1
   ATOM 1321 CG . GLU A 172 ? -14.17551 43.61420 4.96569 1.000 37.17342 C ? A ? 166 CG 1
   ATOM 1322 CD . GLU A 172 ? -15.23139 43.42590 6.03037 1.000 45.97059 C ? A ? 166 CD 1
   ATOM 1323 OE1 . GLU A 172 ? -15.36361 42.30641 6.56037 1.000 47.55727 O ? A ? 166 OE1 1
   ATOM 1324 OE2 . GLU A 172 ? -15.91950 44.41312 6.35154 1.000 48.15535 O ? A ? 166 OE2 1
   ATOM 1325 N . ASP A 173 ? -13.19047 47.82385 3.38402 1.000 28.88943 N ? A ? 167 N 1
   ATOM 1326 CA . ASP A 173 ? -13.56770 49.05074 2.69607 1.000 28.33208 C ? A ? 167 CA 1
   ATOM 1327 C . ASP A 173 ? -12.46080 49.60322 1.82492 1.000 33.38147 C ? A ? 167 C 1
   ATOM 1328 O . ASP A 173 ? -12.68508 50.61086 1.14301 1.000 31.62635 O ? A ? 167 O 1
   ATOM 1329 CB . ASP A 173 ? -14.02241 50.11420 3.70889 1.000 28.18245 C ? A ? 167 CB 1
   ATOM 1330 CG . ASP A 173 ? -12.87061 50.72193 4.52514 1.000 33.24300 C ? A ? 167 CG 1
   ATOM 1331 OD1 . ASP A 173 ? -11.73235 50.16107 4.59957 1.000 29.29150 O ? A ? 167 OD1 1
   ATOM 1332 OD2 . ASP A 173 ? -13.12152 51.79541 5.11137 1.000 35.06043 O ? A ? 167 OD2 1
   ATOM 1333 N . GLY A 174 ? -11.29428 48.95534 1.79176 1.000 29.82227 N ? A ? 168 N 1
   ATOM 1334 CA . GLY A 174 ? -10.19678 49.36845 0.95032 1.000 29.89672 C ? A ? 168 CA 1
   ATOM 1335 C . GLY A 174 ? -9.04616 50.00773 1.68623 1.000 26.13411 C ? A ? 168 C 1
   ATOM 1336 O . GLY A 174 ? -7.96105 50.12855 1.10799 1.000 25.89116 O ? A ? 168 O 1
   ATOM 1337 N . SER A 175 ? -9.24698 50.42056 2.93819 1.000 27.19554 N ? A ? 169 N 1
   ATOM 1338 CA . SER A 175 ? -8.16722 51.00346 3.71854 1.000 20.77459 C ? A ? 169 CA 1
   ATOM 1339 C . SER A 175 ? -7.23440 49.90499 4.20947 1.000 22.50885 C ? A ? 169 C 1
   ATOM 1340 O . SER A 175 ? -7.45816 48.71112 3.98740 1.000 20.75012 O ? A ? 169 O 1
   ATOM 1341 CB . SER A 175 ? -8.72321 51.81304 4.88621 1.000 21.42292 C ? A ? 169 CB 1
   ATOM 1342 OG . SER A 175 ? -9.51513 51.02619 5.79221 1.000 25.48219 O ? A ? 169 OG 1
   ATOM 1343 N . VAL A 176 ? -6.19771 50.31417 4.92620 1.000 21.72336 N ? A ? 170 N 1
   ATOM 1344 CA . VAL A 176 ? -5.28300 49.39020 5.59248 1.000 18.13354 C ? A ? 170 CA 1
   ATOM 1345 C . VAL A 176 ? -5.25838 49.68162 7.09609 1.000 17.19145 C ? A ? 170 C 1
   ATOM 1346 O . VAL A 176 ? -5.36888 50.83567 7.53153 1.000 21.04997 O ? A ? 170 O 1
   ATOM 1347 CB . VAL A 176 ? -3.88072 49.45408 4.95147 1.000 22.49116 C ? A ? 170 CB 1
   ATOM 1348 CG1 . VAL A 176 ? -2.94282 48.54817 5.64730 1.000 25.72960 C ? A ? 170 CG1 1
   ATOM 1349 CG2 . VAL A 176 ? -3.98771 49.01867 3.48554 1.000 26.21926 C ? A ? 170 CG2 1
   ATOM 1350 N . GLN A 177 ? -5.16803 48.60434 7.89056 1.000 15.88395 N ? A ? 171 N 1
   ATOM 1351 CA . GLN A 177 ? -5.11525 48.62152 9.35197 1.000 15.15541 C ? A ? 171 CA 1
   ATOM 1352 C . GLN A 177 ? -3.68094 48.22248 9.69456 1.000 20.88219 C ? A ? 171 C 1
   ATOM 1353 O . GLN A 177 ? -3.25779 47.10104 9.38043 1.000 18.12732 O ? A ? 171 O 1
   ATOM 1354 CB . GLN A 177 ? -6.13397 47.64817 9.95426 1.000 21.01840 C ? A ? 171 CB 1
   ATOM 1355 CG . GLN A 177 ? -6.00957 47.40252 11.48547 1.000 22.95577 C ? A ? 171 CG 1
   ATOM 1356 CD . GLN A 177 ? -6.33193 48.63671 12.30511 1.000 31.08212 C ? A ? 171 CD 1
   ATOM 1357 OE1 . GLN A 177 ? -7.48469 49.01264 12.42973 1.000 25.74728 O ? A ? 171 OE1 1
   ATOM 1358 NE2 . GLN A 177 ? -5.30759 49.27543 12.86151 1.000 23.12868 N ? A ? 171 NE2 1
   ATOM 1359 N . LEU A 178 ? -2.92039 49.14458 10.28196 1.000 19.09863 N ? A ? 172 N 1
   ATOM 1360 CA . LEU A 178 ? -1.54049 48.84793 10.66640 1.000 17.81474 C ? A ? 172 CA 1
   ATOM 1361 C . LEU A 178 ? -1.46964 48.19614 12.04354 1.000 17.08982 C ? A ? 172 C 1
   ATOM 1362 O . LEU A 178 ? -2.20918 48.56753 12.96360 1.000 19.36165 O ? A ? 172 O 1
   ATOM 1363 CB . LEU A 178 ? -0.68793 50.12172 10.67927 1.000 22.86021 C ? A ? 172 CB 1
   ATOM 1364 CG . LEU A 178 ? -0.45274 50.77877 9.32250 1.000 27.10550 C ? A ? 172 CG 1
   ATOM 1365 CD1 . LEU A 178 ? 0.24293 52.11183 9.43687 1.000 23.96263 C ? A ? 172 CD1 1
   ATOM 1366 CD2 . LEU A 178 ? 0.38480 49.80961 8.54662 1.000 28.86727 C ? A ? 172 CD2 1
   ATOM 1367 N . ALA A 179 ? -0.55181 47.22824 12.19767 1.000 15.91418 N ? A ? 173 N 1
   ATOM 1368 CA . ALA A 179 ? -0.31135 46.54174 13.46359 1.000 13.52649 C ? A ? 173 CA 1
   ATOM 1369 C . ALA A 179 ? 1.20042 46.57747 13.67336 1.000 15.94358 C ? A ? 173 C 1
   ATOM 1370 O . ALA A 179 ? 1.94131 45.89660 12.95796 1.000 14.24441 O ? A ? 173 O 1
   ATOM 1371 CB . ALA A 179 ? -0.86622 45.10371 13.42928 1.000 14.95786 C ? A ? 173 CB 1
   ATOM 1372 N . ASP A 180 ? 1.64681 47.41670 14.61495 1.000 11.96282 N ? A ? 174 N 1
   ATOM 1373 CA . ASP A 180 ? 3.06430 47.67591 14.84181 1.000 12.51689 C ? A ? 174 CA 1
   ATOM 1374 C . ASP A 180 ? 3.57976 46.62661 15.82694 1.000 15.84883 C ? A ? 174 C 1
   ATOM 1375 O . ASP A 180 ? 3.12625 46.56800 16.97096 1.000 14.35641 O ? A ? 174 O 1
   ATOM 1376 CB . ASP A 180 ? 3.19978 49.11123 15.38202 1.000 11.39936 C ? A ? 174 CB 1
   ATOM 1377 CG . ASP A 180 ? 4.64287 49.59983 15.45017 1.000 22.92697 C ? A ? 174 CG 1
   ATOM 1378 OD1 . ASP A 180 ? 4.95476 50.58122 16.15017 1.000 23.31294 O ? A ? 174 OD1 1
   ATOM 1379 OD2 . ASP A 180 ? 5.45479 49.02954 14.74569 1.000 29.86368 O ? A ? 174 OD2 1
   ATOM 1380 N . HIS A 181 ? 4.50090 45.78619 15.38174 1.000 10.79494 N ? A ? 175 N 1
   ATOM 1381 CA . HIS A 181 ? 5.02796 44.66949 16.14906 1.000 11.82426 C ? A ? 175 CA 1
   ATOM 1382 C . HIS A 181 ? 6.37770 45.03662 16.75955 1.000 14.06428 C ? A ? 175 C 1
   ATOM 1383 O . HIS A 181 ? 7.30372 45.37306 16.03491 1.000 15.94941 O ? A ? 175 O 1
   ATOM 1384 CB . HIS A 181 ? 5.21103 43.43705 15.25331 1.000 12.51968 C ? A ? 175 CB 1
   ATOM 1385 CG . HIS A 181 ? 3.91716 42.81830 14.81226 1.000 15.00099 C ? A ? 175 CG 1
   ATOM 1386 ND1 . HIS A 181 ? 3.63994 41.47610 14.95129 1.000 21.99348 N ? A ? 175 ND1 1
   ATOM 1387 CD2 . HIS A 181 ? 2.82860 43.37294 14.22914 1.000 26.96683 C ? A ? 175 CD2 1
   ATOM 1388 CE1 . HIS A 181 ? 2.42625 41.23292 14.48299 1.000 23.74714 C ? A ? 175 CE1 1
   ATOM 1389 NE2 . HIS A 181 ? 1.91872 42.36488 14.02665 1.000 20.81521 N ? A ? 175 NE2 1
   ATOM 1390 N . TYR A 182 ? 6.51780 44.89759 18.08114 1.000 14.67901 N ? A ? 176 N 1
   ATOM 1391 CA . TYR A 182 ? 7.84040 44.84762 18.70475 1.000 12.54187 C ? A ? 176 CA 1
   ATOM 1392 C . TYR A 182 ? 8.02206 43.49852 19.36679 1.000 15.01428 C ? A ? 176 C 1
   ATOM 1393 O . TYR A 182 ? 7.14138 43.04461 20.10622 1.000 18.17653 O ? A ? 176 O 1
   ATOM 1394 CB . TYR A 182 ? 8.03099 45.95907 19.72933 1.000 13.73749 C ? A ? 176 CB 1
   ATOM 1395 CG . TYR A 182 ? 8.41326 47.27006 19.09616 1.000 21.61793 C ? A ? 176 CG 1
   ATOM 1396 CD1 . TYR A 182 ? 9.70167 47.74516 19.17461 1.000 27.25282 C ? A ? 176 CD1 1
   ATOM 1397 CD2 . TYR A 182 ? 7.47862 48.00658 18.38551 1.000 28.36085 C ? A ? 176 CD2 1
   ATOM 1398 CE1 . TYR A 182 ? 10.04305 48.94907 18.58100 1.000 29.82418 C ? A ? 176 CE1 1
   ATOM 1399 CE2 . TYR A 182 ? 7.81966 49.15887 17.76697 1.000 30.30319 C ? A ? 176 CE2 1
   ATOM 1400 CZ . TYR A 182 ? 9.09014 49.65057 17.88902 1.000 30.66982 C ? A ? 176 CZ 1
   ATOM 1401 OH . TYR A 182 ? 9.38906 50.84073 17.27861 1.000 32.40300 O ? A ? 176 OH 1
   ATOM 1402 N . GLN A 183 ? 9.13705 42.85273 19.09521 1.000 14.34426 N ? A ? 177 N 1
   ATOM 1403 CA . GLN A 183 ? 9.34750 41.44948 19.43041 1.000 13.28795 C ? A ? 177 CA 1
   ATOM 1404 C . GLN A 183 ? 10.66743 41.29009 20.15743 1.000 16.43882 C ? A ? 177 C 1
   ATOM 1405 O . GLN A 183 ? 11.65295 41.90820 19.77450 1.000 17.51483 O ? A ? 177 O 1
   ATOM 1406 CB . GLN A 183 ? 9.34647 40.61644 18.13208 1.000 11.24285 C ? A ? 177 CB 1
   ATOM 1407 CG . GLN A 183 ? 9.63014 39.18847 18.32605 1.000 13.18477 C ? A ? 177 CG 1
   ATOM 1408 CD . GLN A 183 ? 9.69914 38.46756 16.99590 1.000 14.00878 C ? A ? 177 CD 1
   ATOM 1409 OE1 . GLN A 183 ? 9.14978 38.93372 15.99196 1.000 15.96896 O ? A ? 177 OE1 1
   ATOM 1410 NE2 . GLN A 183 ? 10.35230 37.32269 16.98295 1.000 18.15779 N ? A ? 177 NE2 1
   ATOM 1411 N . GLN A 184 ? 10.70221 40.39108 21.15716 1.000 15.96111 N ? A ? 178 N 1
   ATOM 1412 CA . GLN A 184 ? 11.88275 40.03197 21.92230 1.000 15.22390 C ? A ? 178 CA 1
   ATOM 1413 C . GLN A 184 ? 11.91277 38.52287 22.11803 1.000 21.77220 C ? A ? 178 C 1
   ATOM 1414 O . GLN A 184 ? 10.90525 37.93037 22.51278 1.000 17.52591 O ? A ? 178 O 1
   ATOM 1415 CB . GLN A 184 ? 11.88047 40.72534 23.27970 1.000 12.53630 C ? A ? 178 CB 1
   ATOM 1416 CG . GLN A 184 ? 11.74974 42.24404 23.12864 1.000 25.01373 C ? A ? 178 CG 1
   ATOM 1417 CD . GLN A 184 ? 11.46921 42.96031 24.45039 1.000 30.27014 C ? A ? 178 CD 1
   ATOM 1418 OE1 . GLN A 184 ? 10.30492 43.11077 24.86143 1.000 26.63282 O ? A ? 178 OE1 1
   ATOM 1419 NE2 . GLN A 184 ? 12.54146 43.42504 25.11532 1.000 29.56821 N ? A ? 178 NE2 1
   ATOM 1420 N . ASN A 185 ? 13.05687 37.90068 21.85321 1.000 14.84782 N ? A ? 179 N 1
   ATOM 1421 CA . ASN A 185 ? 13.24919 36.46056 21.96543 1.000 14.51020 C ? A ? 179 CA 1
   ATOM 1422 C . ASN A 185 ? 14.42101 36.21698 22.89109 1.000 16.56855 C ? A ? 179 C 1
   ATOM 1423 O . ASN A 185 ? 15.46047 36.85647 22.72650 1.000 18.56864 O ? A ? 179 O 1
   ATOM 1424 CB . ASN A 185 ? 13.50632 35.81873 20.57829 1.000 14.40462 C ? A ? 179 CB 1
   ATOM 1425 CG . ASN A 185 ? 12.24062 35.78810 19.71730 1.000 21.27214 C ? A ? 179 CG 1
   ATOM 1426 OD1 . ASN A 185 ? 11.62992 36.82507 19.46181 1.000 20.95733 O ? A ? 179 OD1 1
   ATOM 1427 ND2 . ASN A 185 ? 11.83319 34.60103 19.29267 1.000 19.96774 N ? A ? 179 ND2 1
   ATOM 1428 N . THR A 186 ? 14.27651 35.27817 23.82487 1.000 16.47822 N ? A ? 180 N 1
   ATOM 1429 CA . THR A 186 ? 15.44031 34.90535 24.64461 1.000 23.09522 C ? A ? 180 CA 1
   ATOM 1430 C . THR A 186 ? 15.43544 33.40275 24.92956 1.000 22.58215 C ? A ? 180 C 1
   ATOM 1431 O . THR A 186 ? 14.35615 32.86091 25.19996 1.000 18.74138 O ? A ? 180 O 1
   ATOM 1432 CB . THR A 186 ? 15.41772 35.69103 25.95747 1.000 27.49138 C ? A ? 180 CB 1
   ATOM 1433 OG1 . THR A 186 ? 16.39393 35.14926 26.85121 1.000 35.95535 O ? A ? 180 OG1 1
   ATOM 1434 CG2 . THR A 186 ? 14.08327 35.53371 26.58159 1.000 20.31433 C ? A ? 180 CG2 1
   ATOM 1435 N . PRO A 187 ? 16.60913 32.70277 24.85127 1.000 15.70237 N ? A ? 181 N 1
   ATOM 1436 CA . PRO A 187 ? 16.69603 31.26305 25.21583 1.000 21.62535 C ? A ? 181 CA 1
   ATOM 1437 C . PRO A 187 ? 16.08465 30.89539 26.55684 1.000 18.57154 C ? A ? 181 C 1
   ATOM 1438 O . PRO A 187 ? 16.17590 31.64646 27.53387 1.000 18.50833 O ? A ? 181 O 1
   ATOM 1439 CB . PRO A 187 ? 18.21598 30.99195 25.25695 1.000 19.32696 C ? A ? 181 CB 1
   ATOM 1440 CG . PRO A 187 ? 18.77674 32.32261 25.64412 1.000 25.48816 C ? A ? 181 CG 1
   ATOM 1441 CD . PRO A 187 ? 17.93145 33.35685 24.92468 1.000 25.59418 C ? A ? 181 CD 1
   ATOM 1442 N . ILE A 188 ? 15.48650 29.70146 26.60934 1.000 25.54652 N ? A ? 182 N 1
   ATOM 1443 CA . ILE A 188 ? 15.20850 29.13778 27.92715 1.000 21.76975 C ? A ? 182 CA 1
   ATOM 1444 C . ILE A 188 ? 16.35102 28.25703 28.47257 1.000 19.87261 C ? A ? 182 C 1
   ATOM 1445 O . ILE A 188 ? 16.43579 28.07159 29.69292 1.000 21.04617 O ? A ? 182 O 1
   ATOM 1446 CB . ILE A 188 ? 13.88529 28.35418 27.99038 1.000 30.30350 C ? A ? 182 CB 1
   ATOM 1447 CG1 . ILE A 188 ? 14.07035 26.92010 27.58311 1.000 33.15069 C ? A ? 182 CG1 1
   ATOM 1448 CG2 . ILE A 188 ? 12.71775 29.08429 27.28867 1.000 15.16648 C ? A ? 182 CG2 1
   ATOM 1449 CD1 . ILE A 188 ? 12.97689 26.14501 28.10971 1.000 30.53364 C ? A ? 182 CD1 1
   ATOM 1450 N . GLY A 189 ? 17.23187 27.72384 27.61452 1.000 23.30344 N ? A ? 183 N 1
   ATOM 1451 CA . GLY A 189 ? 18.39972 26.99296 28.06778 1.000 24.40376 C ? A ? 183 CA 1
   ATOM 1452 C . GLY A 189 ? 19.58174 27.93058 28.26438 1.000 21.27867 C ? A ? 183 C 1
   ATOM 1453 O . GLY A 189 ? 19.50059 29.13502 28.08802 1.000 24.08865 O ? A ? 183 O 1
   ATOM 1454 N . ASP A 190 ? 20.71569 27.35718 28.66947 1.000 26.58226 N ? A ? 184 N 1
   ATOM 1455 CA . ASP A 190 ? 21.88851 28.17570 28.96170 1.000 28.99949 C ? A ? 184 CA 1
   ATOM 1456 C . ASP A 190 ? 23.02862 27.88112 28.00906 1.000 33.68524 C ? A ? 184 C 1
   ATOM 1457 O . ASP A 190 ? 24.09279 28.50142 28.12596 1.000 36.62780 O ? A ? 184 O 1
   ATOM 1458 CB . ASP A 190 ? 22.40331 27.98258 30.39984 1.000 37.41481 C ? A ? 184 CB 1
   ATOM 1459 CG . ASP A 190 ? 21.39441 28.36414 31.47695 1.000 38.42591 C ? A ? 184 CG 1
   ATOM 1460 OD1 . ASP A 190 ? 21.03998 29.55548 31.57550 1.000 51.11958 O ? A ? 184 OD1 1
   ATOM 1461 OD2 . ASP A 190 ? 20.98940 27.47996 32.25809 1.000 44.21852 O ? A ? 184 OD2 1
   ATOM 1462 N . GLY A 191 ? 22.83958 26.94449 27.08243 1.000 37.62567 N ? A ? 185 N 1
   ATOM 1463 CA . GLY A 191 ? 23.91082 26.50366 26.24105 1.000 32.19198 C ? A ? 185 CA 1
   ATOM 1464 C . GLY A 191 ? 24.24372 27.53152 25.18319 1.000 34.37100 C ? A ? 185 C 1
   ATOM 1465 O . GLY A 191 ? 23.65593 28.62734 25.12732 1.000 31.82573 O ? A ? 185 O 1
   ATOM 1466 N . PRO A 192 ? 25.21004 27.19410 24.33696 1.000 36.48124 N ? A ? 186 N 1
   ATOM 1467 CA . PRO A 192 ? 25.61511 28.12890 23.28186 1.000 31.66201 C ? A ? 186 CA 1
   ATOM 1468 C . PRO A 192 ? 24.45729 28.40246 22.32721 1.000 33.35996 C ? A ? 186 C 1
   ATOM 1469 O . PRO A 192 ? 23.83626 27.47981 21.78249 1.000 33.05750 O ? A ? 186 O 1
   ATOM 1470 CB . PRO A 192 ? 26.78217 27.40698 22.58881 1.000 34.78530 C ? A ? 186 CB 1
   ATOM 1471 CG . PRO A 192 ? 26.73344 25.97752 23.05431 1.000 41.66477 C ? A ? 186 CG 1
   ATOM 1472 CD . PRO A 192 ? 26.05062 25.98159 24.38672 1.000 37.66273 C ? A ? 186 CD 1
   ATOM 1473 N . VAL A 193 ? 24.15621 29.68685 22.15428 1.000 28.82698 N ? A ? 187 N 1
   ATOM 1474 CA . VAL A 193 ? 23.20585 30.17252 21.16236 1.000 28.48304 C ? A ? 187 CA 1
   ATOM 1475 C . VAL A 193 ? 23.98731 31.06729 20.20824 1.000 30.98650 C ? A ? 187 C 1
   ATOM 1476 O . VAL A 193 ? 25.08531 31.53451 20.52679 1.000 30.84385 O ? A ? 187 O 1
   ATOM 1477 CB . VAL A 193 ? 22.04128 30.93610 21.82563 1.000 33.96336 C ? A ? 187 CB 1
   ATOM 1478 CG1 . VAL A 193 ? 21.48287 30.11611 23.01205 1.000 35.87308 C ? A ? 187 CG1 1
   ATOM 1479 CG2 . VAL A 193 ? 22.46184 32.31815 22.29455 1.000 34.33678 C ? A ? 187 CG2 1
   ATOM 1480 N . LEU A 194 ? 23.44756 31.29576 19.02172 1.000 26.01703 N ? A ? 188 N 1
   ATOM 1481 CA . LEU A 194 ? 24.15619 32.15560 18.08656 1.000 25.14097 C ? A ? 188 CA 1
   ATOM 1482 C . LEU A 194 ? 23.38376 33.45277 17.85535 1.000 29.44386 C ? A ? 188 C 1
   ATOM 1483 O . LEU A 194 ? 22.20504 33.44380 17.45922 1.000 23.81080 O ? A ? 188 O 1
   ATOM 1484 CB . LEU A 194 ? 24.50655 31.40968 16.79532 1.000 34.11551 C ? A ? 188 CB 1
   ATOM 1485 CG . LEU A 194 ? 23.49479 30.54825 16.08752 1.000 33.14924 C ? A ? 188 CG 1
   ATOM 1486 CD1 . LEU A 194 ? 22.85806 31.51453 15.19894 1.000 32.34977 C ? A ? 188 CD1 1
   ATOM 1487 CD2 . LEU A 194 ? 24.09994 29.42123 15.27536 1.000 30.50581 C ? A ? 188 CD2 1
   ATOM 1488 N . LEU A 195 ? 24.05405 34.56060 18.16765 1.000 21.12787 N ? A ? 189 N 1
   ATOM 1489 CA . LEU A 195 ? 23.52322 35.89697 17.99968 1.000 19.27211 C ? A ? 189 CA 1
   ATOM 1490 C . LEU A 195 ? 23.82571 36.38457 16.58197 1.000 25.62401 C ? A ? 189 C 1
   ATOM 1491 O . LEU A 195 ? 25.00423 36.50864 16.21949 1.000 30.98973 O ? A ? 189 O 1
   ATOM 1492 CB . LEU A 195 ? 24.14999 36.81968 19.03345 1.000 25.08308 C ? A ? 189 CB 1
   ATOM 1493 CG . LEU A 195 ? 23.95884 36.37110 20.48307 1.000 27.37005 C ? A ? 189 CG 1
   ATOM 1494 CD1 . LEU A 195 ? 24.65975 37.30419 21.43868 1.000 29.71942 C ? A ? 189 CD1 1
   ATOM 1495 CD2 . LEU A 195 ? 22.47122 36.28491 20.82735 1.000 29.22757 C ? A ? 189 CD2 1
   ATOM 1496 N . PRO A 196 ? 22.80847 36.67886 15.77701 1.000 21.52032 N ? A ? 190 N 1
   ATOM 1497 CA . PRO A 196 ? 23.01328 36.92573 14.35016 1.000 30.58216 C ? A ? 190 CA 1
   ATOM 1498 C . PRO A 196 ? 23.49496 38.33733 14.11523 1.000 23.42531 C ? A ? 190 C 1
   ATOM 1499 O . PRO A 196 ? 23.23686 39.24447 14.90709 1.000 20.07745 O ? A ? 190 O 1
   ATOM 1500 CB . PRO A 196 ? 21.60312 36.75113 13.76933 1.000 24.55037 C ? A ? 190 CB 1
   ATOM 1501 CG . PRO A 196 ? 20.71822 37.28429 14.89780 1.000 20.27224 C ? A ? 190 CG 1
   ATOM 1502 CD . PRO A 196 ? 21.38999 36.84592 16.17671 1.000 18.69205 C ? A ? 190 CD 1
   ATOM 1503 N . ASP A 197 ? 24.18683 38.52049 12.99839 1.000 24.57528 N ? A ? 191 N 1
   ATOM 1504 CA . ASP A 197 ? 24.23508 39.87481 12.47872 1.000 23.54723 C ? A ? 191 CA 1
   ATOM 1505 C . ASP A 197 ? 22.86441 40.21955 11.91691 1.000 20.86997 C ? A ? 191 C 1
   ATOM 1506 O . ASP A 197 ? 22.04421 39.33106 11.61881 1.000 20.04489 O ? A ? 191 O 1
   ATOM 1507 CB . ASP A 197 ? 25.26330 40.04799 11.36162 1.000 24.52492 C ? A ? 191 CB 1
   ATOM 1508 CG . ASP A 197 ? 26.65230 39.56407 11.74060 1.000 42.85260 C ? A ? 191 CG 1
   ATOM 1509 OD1 . ASP A 197 ? 27.29711 38.99088 10.84338 1.000 37.24541 O ? A ? 191 OD1 1
   ATOM 1510 OD2 . ASP A 197 ? 27.08314 39.75622 12.90093 1.000 39.68926 O ? A ? 191 OD2 1
   ATOM 1511 N . ASN A 198 ? 22.63771 41.51919 11.75860 1.000 21.37520 N ? A ? 192 N 1
   ATOM 1512 CA . ASN A 198 ? 21.39650 42.00929 11.19509 1.000 19.97928 C ? A ? 192 CA 1
   ATOM 1513 C . ASN A 198 ? 21.05975 41.29463 9.88911 1.000 27.59826 C ? A ? 192 C 1
   ATOM 1514 O . ASN A 198 ? 21.92090 41.07473 9.02740 1.000 22.04649 O ? A ? 192 O 1
   ATOM 1515 CB . ASN A 198 ? 21.53663 43.50916 10.94935 1.000 26.07672 C ? A ? 192 CB 1
   ATOM 1516 CG . ASN A 198 ? 21.48219 44.30493 12.22454 1.000 24.70612 C ? A ? 192 CG 1
   ATOM 1517 OD1 . ASN A 198 ? 21.64880 43.77108 13.31271 1.000 31.60083 O ? A ? 192 OD1 1
   ATOM 1518 ND2 . ASN A 198 ? 21.23359 45.60183 12.09772 1.000 33.91081 N ? A ? 192 ND2 1
   ATOM 1519 N . HIS A 199 ? 19.78387 40.95365 9.72194 1.000 18.77676 N ? A ? 193 N 1
   ATOM 1520 CA . HIS A 199 ? 19.33401 40.27490 8.51541 1.000 18.32254 C ? A ? 193 CA 1
   ATOM 1521 C . HIS A 199 ? 17.83193 40.33625 8.57094 1.000 14.74126 C ? A ? 193 C 1
   ATOM 1522 O . HIS A 199 ? 17.27946 40.93618 9.50012 1.000 19.07215 O ? A ? 193 O 1
   ATOM 1523 CB . HIS A 199 ? 19.81224 38.82187 8.41327 1.000 18.40021 C ? A ? 193 CB 1
   ATOM 1524 CG . HIS A 199 ? 19.26313 37.92449 9.48552 1.000 17.50905 C ? A ? 193 CG 1
   ATOM 1525 ND1 . HIS A 199 ? 19.74673 37.92979 10.77490 1.000 18.52018 N ? A ? 193 ND1 1
   ATOM 1526 CD2 . HIS A 199 ? 18.25150 37.00935 9.45894 1.000 18.63658 C ? A ? 193 CD2 1
   ATOM 1527 CE1 . HIS A 199 ? 19.08120 37.03596 11.49652 1.000 18.56551 C ? A ? 193 CE1 1
   ATOM 1528 NE2 . HIS A 199 ? 18.17386 36.46110 10.71828 1.000 15.97370 N ? A ? 193 NE2 1
   ATOM 1529 N . TYR A 200 ? 17.17229 39.75504 7.57215 1.000 16.64781 N ? A ? 194 N 1
   ATOM 1530 CA . TYR A 200 ? 15.72732 39.74106 7.59200 1.000 14.58138 C ? A ? 194 CA 1
   ATOM 1531 C . TYR A 200 ? 15.15233 38.37770 7.25740 1.000 20.43505 C ? A ? 194 C 1
   ATOM 1532 O . TYR A 200 ? 15.78675 37.52035 6.64977 1.000 19.15870 O ? A ? 194 O 1
   ATOM 1533 CB . TYR A 200 ? 15.11595 40.77394 6.64622 1.000 26.82361 C ? A ? 194 CB 1
   ATOM 1534 CG . TYR A 200 ? 15.39139 40.58523 5.17448 1.000 26.19267 C ? A ? 194 CG 1
   ATOM 1535 CD1 . TYR A 200 ? 14.64894 39.69804 4.39888 1.000 32.49903 C ? A ? 194 CD1 1
   ATOM 1536 CD2 . TYR A 200 ? 16.36670 41.33245 4.54307 1.000 34.44212 C ? A ? 194 CD2 1
   ATOM 1537 CE1 . TYR A 200 ? 14.90602 39.55484 3.02159 1.000 37.98859 C ? A ? 194 CE1 1
   ATOM 1538 CE2 . TYR A 200 ? 16.60988 41.20827 3.17143 1.000 36.31067 C ? A ? 194 CE2 1
   ATOM 1539 CZ . TYR A 200 ? 15.89552 40.31354 2.42449 1.000 30.64963 C ? A ? 194 CZ 1
   ATOM 1540 OH . TYR A 200 ? 16.17060 40.21333 1.08116 1.000 41.68313 O ? A ? 194 OH 1
   ATOM 1541 N . LEU A 201 ? 13.89583 38.22543 7.69316 1.000 13.71727 N ? A ? 195 N 1
   ATOM 1542 CA . LEU A 201 ? 13.02676 37.10606 7.37672 1.000 16.61147 C ? A ? 195 CA 1
   ATOM 1543 C . LEU A 201 ? 11.96170 37.60792 6.43065 1.000 18.17524 C ? A ? 195 C 1
   ATOM 1544 O . LEU A 201 ? 11.42419 38.69164 6.65821 1.000 18.04366 O ? A ? 195 O 1
   ATOM 1545 CB . LEU A 201 ? 12.36505 36.54622 8.63219 1.000 16.55859 C ? A ? 195 CB 1
   ATOM 1546 CG . LEU A 201 ? 13.34099 35.90726 9.56946 1.000 19.22886 C ? A ? 195 CG 1
   ATOM 1547 CD1 . LEU A 201 ? 12.38945 35.34593 10.66240 1.000 15.12884 C ? A ? 195 CD1 1
   ATOM 1548 CD2 . LEU A 201 ? 14.08653 34.84988 8.78521 1.000 20.81730 C ? A ? 195 CD2 1
   ATOM 1549 N . SER A 202 ? 11.71475 36.88675 5.32983 1.000 14.81334 N ? A ? 196 N 1
   ATOM 1550 CA . SER A 202 ? 10.63414 37.20449 4.39501 1.000 19.78286 C ? A ? 196 CA 1
   ATOM 1551 C . SER A 202 ? 9.55510 36.13666 4.50161 1.000 13.74811 C ? A ? 196 C 1
   ATOM 1552 O . SER A 202 ? 9.84994 34.93860 4.46165 1.000 18.39805 O ? A ? 196 O 1
   ATOM 1553 CB . SER A 202 ? 11.11983 37.29381 2.94833 1.000 19.50749 C ? A ? 196 CB 1
   ATOM 1554 OG . SER A 202 ? 12.10906 38.29626 2.77318 1.000 30.44787 O ? A ? 196 OG 1
   ATOM 1555 N . THR A 203 ? 8.29764 36.56545 4.66196 1.000 15.84852 N ? A ? 197 N 1
   ATOM 1556 CA . THR A 203 ? 7.23057 35.67085 5.02166 1.000 20.13053 C ? A ? 197 CA 1
   ATOM 1557 C . THR A 203 ? 6.11448 35.88974 4.01074 1.000 19.59744 C ? A ? 197 C 1
   ATOM 1558 O . THR A 203 ? 5.82175 37.02863 3.64813 1.000 18.21767 O ? A ? 197 O 1
   ATOM 1559 CB . THR A 203 ? 6.75819 35.95986 6.47218 1.000 23.11521 C ? A ? 197 CB 1
   ATOM 1560 OG1 . THR A 203 ? 5.60970 35.15413 6.79793 1.000 31.37444 O ? A ? 197 OG1 1
   ATOM 1561 CG2 . THR A 203 ? 6.42152 37.48451 6.64017 1.000 31.22277 C ? A ? 197 CG2 1
   ATOM 1562 N . GLN A 204 ? 5.51981 34.80980 3.51784 1.000 17.39124 N ? A ? 198 N 1
   ATOM 1563 CA . GLN A 204 ? 4.27222 34.96433 2.79656 1.000 18.63512 C ? A ? 198 CA 1
   ATOM 1564 C . GLN A 204 ? 3.34783 33.83171 3.18650 1.000 17.29516 C ? A ? 198 C 1
   ATOM 1565 O . GLN A 204 ? 3.78133 32.79752 3.67964 1.000 18.11551 O ? A ? 198 O 1
   ATOM 1566 CB . GLN A 204 ? 4.53702 35.05298 1.29082 1.000 23.26184 C ? A ? 198 CB 1
   ATOM 1567 CG . GLN A 204 ? 5.30343 33.90525 0.76266 1.000 28.73466 C ? A ? 198 CG 1
   ATOM 1568 CD . GLN A 204 ? 5.65068 34.07519 -0.70533 1.000 25.63763 C ? A ? 198 CD 1
   ATOM 1569 OE1 . GLN A 204 ? 4.75553 34.18653 -1.55241 1.000 19.60717 O ? A ? 198 OE1 1
   ATOM 1570 NE2 . GLN A 204 ? 6.94047 34.08115 -1.01881 1.000 33.65577 N ? A ? 198 NE2 1
   ATOM 1571 N . ASN A 205 ? 2.04465 34.08969 3.04999 1.000 17.58500 N ? A ? 199 N 1
   ATOM 1572 CA . ASN A 205 ? 0.99549 33.30011 3.67084 1.000 25.51571 C ? A ? 199 CA 1
   ATOM 1573 C . ASN A 205 ? -0.13255 33.07976 2.68082 1.000 21.81265 C ? A ? 199 C 1
   ATOM 1574 O . ASN A 205 ? -0.42455 33.95669 1.86042 1.000 23.22650 O ? A ? 199 O 1
   ATOM 1575 CB . ASN A 205 ? 0.41961 34.01641 4.90501 1.000 23.10476 C ? A ? 199 CB 1
   ATOM 1576 CG . ASN A 205 ? 1.22915 33.75990 6.14770 1.000 24.45914 C ? A ? 199 CG 1
   ATOM 1577 OD1 . ASN A 205 ? 1.10633 32.69887 6.76239 1.000 28.65121 O ? A ? 199 OD1 1
   ATOM 1578 ND2 . ASN A 205 ? 2.01127 34.73121 6.55377 1.000 20.94146 N ? A ? 199 ND2 1
   ATOM 1579 N . ALA A 206 ? -0.77405 31.92142 2.78477 1.000 20.73603 N ? A ? 200 N 1
   ATOM 1580 CA . ALA A 206 ? -2.02562 31.62766 2.09317 1.000 21.00905 C ? A ? 200 CA 1
   ATOM 1581 C . ALA A 206 ? -3.01029 31.11431 3.12056 1.000 18.89344 C ? A ? 200 C 1
   ATOM 1582 O . ALA A 206 ? -2.76078 30.06798 3.73003 1.000 19.02671 O ? A ? 200 O 1
   ATOM 1583 CB . ALA A 206 ? -1.82831 30.56798 0.99893 1.000 26.34962 C ? A ? 200 CB 1
   ATOM 1584 N . LEU A 207 ? -4.13981 31.80163 3.27639 1.000 15.57004 N ? A ? 201 N 1
   ATOM 1585 CA . LEU A 207 ? -5.14122 31.48285 4.26023 1.000 18.76261 C ? A ? 201 CA 1
   ATOM 1586 C . LEU A 207 ? -6.33055 30.88476 3.53054 1.000 23.18318 C ? A ? 201 C 1
   ATOM 1587 O . LEU A 207 ? -6.66929 31.32188 2.42526 1.000 22.56964 O ? A ? 201 O 1
   ATOM 1588 CB . LEU A 207 ? -5.54820 32.72545 5.04105 1.000 23.61395 C ? A ? 201 CB 1
   ATOM 1589 CG . LEU A 207 ? -4.42618 33.34965 5.90990 1.000 14.77570 C ? A ? 201 CG 1
   ATOM 1590 CD1 . LEU A 207 ? -3.25708 33.97917 5.23226 1.000 25.84780 C ? A ? 201 CD1 1
   ATOM 1591 CD2 . LEU A 207 ? -5.16493 34.36904 6.76407 1.000 27.46725 C ? A ? 201 CD2 1
   ATOM 1592 N . SER A 208 ? -6.91366 29.84940 4.10969 1.000 20.21074 N ? A ? 202 N 1
   ATOM 1593 CA . SER A 208 ? -8.02205 29.18288 3.43509 1.000 20.30318 C ? A ? 202 CA 1
   ATOM 1594 C . SER A 208 ? -8.89555 28.50176 4.46521 1.000 24.42141 C ? A ? 202 C 1
   ATOM 1595 O . SER A 208 ? -8.63532 28.52612 5.67654 1.000 17.73972 O ? A ? 202 O 1
   ATOM 1596 CB . SER A 208 ? -7.51662 28.17447 2.40387 1.000 18.79225 C ? A ? 202 CB 1
   ATOM 1597 OG . SER A 208 ? -6.71684 27.19388 3.05192 1.000 21.83288 O ? A ? 202 OG 1
   ATOM 1598 N . LYS A 209 ? -9.95044 27.86317 3.94488 1.000 34.24742 N ? A ? 203 N 1
   ATOM 1599 CA . LYS A 209 ? -10.99794 27.22776 4.72427 1.000 32.00885 C ? A ? 203 CA 1
   ATOM 1600 C . LYS A 209 ? -11.14983 25.77051 4.31172 1.000 32.09109 C ? A ? 203 C 1
   ATOM 1601 O . LYS A 209 ? -11.01691 25.42109 3.13572 1.000 36.41415 O ? A ? 203 O 1
   ATOM 1602 CB . LYS A 209 ? -12.35878 27.92314 4.53670 1.000 26.59776 C ? A ? 203 CB 1
   ATOM 1603 CG . LYS A 209 ? -12.40965 29.36739 4.99884 1.000 25.60686 C ? A ? 203 CG 1
   ATOM 1604 CD . LYS A 209 ? -12.14526 29.50473 6.49689 1.000 32.68911 C ? A ? 203 CD 1
   ATOM 1605 CE . LYS A 209 ? -12.19624 30.98302 6.90143 1.000 31.26077 C ? A ? 203 CE 1
   ATOM 1606 NZ . LYS A 209 ? -12.12179 31.15716 8.37834 1.000 27.60288 N ? A ? 203 NZ 1
   ATOM 1607 N . ASP A 210 ? -11.40323 24.93693 5.30268 1.000 33.69780 N ? A ? 204 N 1
   ATOM 1608 CA . ASP A 210 ? -11.66173 23.52781 5.09409 1.000 41.79109 C ? A ? 204 CA 1
   ATOM 1609 C . ASP A 210 ? -13.16929 23.37624 4.96283 1.000 40.57073 C ? A ? 204 C 1
   ATOM 1610 O . ASP A 210 ? -13.88758 23.56598 5.95634 1.000 39.34102 O ? A ? 204 O 1
   ATOM 1611 CB . ASP A 210 ? -11.12697 22.71987 6.26192 1.000 40.33870 C ? A ? 204 CB 1
   ATOM 1612 CG . ASP A 210 ? -11.41062 21.24509 6.12786 1.000 47.77285 C ? A ? 204 CG 1
   ATOM 1613 OD1 . ASP A 210 ? -11.84002 20.81260 5.03769 1.000 45.67034 O ? A ? 204 OD1 1
   ATOM 1614 OD2 . ASP A 210 ? -11.20063 20.52392 7.11693 1.000 45.61930 O ? A ? 204 OD2 1
   ATOM 1615 N . PRO A 211 ? -13.69348 23.08879 3.76881 1.000 47.47049 N ? A ? 205 N 1
   ATOM 1616 CA . PRO A 211 ? -15.15806 23.04883 3.59519 1.000 44.30463 C ? A ? 205 CA 1
   ATOM 1617 C . PRO A 211 ? -15.86073 22.01840 4.46425 1.000 47.66920 C ? A ? 205 C 1
   ATOM 1618 O . PRO A 211 ? -17.01699 22.24034 4.84734 1.000 51.19835 O ? A ? 205 O 1
   ATOM 1619 CB . PRO A 211 ? -15.32500 22.74061 2.09819 1.000 36.15673 C ? A ? 205 CB 1
   ATOM 1620 CG . PRO A 211 ? -14.04269 23.17769 1.45946 1.000 46.32013 C ? A ? 205 CG 1
   ATOM 1621 CD . PRO A 211 ? -12.97321 22.90643 2.49825 1.000 41.68613 C ? A ? 205 CD 1
   ATOM 1622 N . ASN A 212 ? -15.21618 20.90385 4.79509 1.000 47.17346 N ? A ? 206 N 1
   ATOM 1623 CA . ASN A 212 ? -15.87438 19.95168 5.67525 1.000 51.77017 C ? A ? 206 CA 1
   ATOM 1624 C . ASN A 212 ? -15.67320 20.28370 7.14419 1.000 48.04080 C ? A ? 206 C 1
   ATOM 1625 O . ASN A 212 ? -15.89846 19.41832 7.99526 1.000 52.66275 O ? A ? 206 O 1
   ATOM 1626 CB . ASN A 212 ? -15.41330 18.51772 5.36407 1.000 50.99109 C ? A ? 206 CB 1
   ATOM 1627 CG . ASN A 212 ? -13.90685 18.40442 5.17107 1.000 60.42234 C ? A ? 206 CG 1
   ATOM 1628 OD1 . ASN A 212 ? -13.14282 18.87463 6.01335 1.000 66.63275 O ? A ? 206 OD1 1
   ATOM 1629 ND2 . ASN A 212 ? -13.47207 17.77963 4.06059 1.000 57.34161 N ? A ? 206 ND2 1
   ATOM 1630 N . GLU A 213 ? -15.26769 21.50545 7.47824 1.000 42.66847 N ? A ? 207 N 1
   ATOM 1631 CA . GLU A 213 ? -14.94326 21.85897 8.85397 1.000 41.84181 C ? A ? 207 CA 1
   ATOM 1632 C . GLU A 213 ? -16.03933 22.73635 9.44415 1.000 44.77485 C ? A ? 207 C 1
   ATOM 1633 O . GLU A 213 ? -16.26953 23.85702 8.97226 1.000 38.98325 O ? A ? 207 O 1
   ATOM 1634 CB . GLU A 213 ? -13.58967 22.56493 8.92817 1.000 43.33382 C ? A ? 207 CB 1
   ATOM 1635 CG . GLU A 213 ? -13.29403 23.14387 10.28414 1.000 40.41959 C ? A ? 207 CG 1
   ATOM 1636 CD . GLU A 213 ? -13.20089 22.08775 11.37127 1.000 42.78223 C ? A ? 207 CD 1
   ATOM 1637 OE1 . GLU A 213 ? -12.26376 21.26120 11.31431 1.000 46.13040 O ? A ? 207 OE1 1
   ATOM 1638 OE2 . GLU A 213 ? -14.06319 22.07548 12.28188 1.000 41.96606 O ? A ? 207 OE2 1
   ATOM 1639 N . LYS A 214 ? -16.67068 22.24315 10.51154 1.000 46.50863 N ? A ? 208 N 1
   ATOM 1640 CA . LYS A 214 ? -17.78071 22.93614 11.14728 1.000 46.55986 C ? A ? 208 CA 1
   ATOM 1641 C . LYS A 214 ? -17.33351 23.99542 12.14817 1.000 49.54122 C ? A ? 208 C 1
   ATOM 1642 O . LYS A 214 ? -18.04125 24.99350 12.33236 1.000 45.07730 O ? A ? 208 O 1
   ATOM 1643 CB . LYS A 214 ? -18.70934 21.91707 11.83085 1.000 47.91494 C ? A ? 208 CB 1
   ATOM 1644 CG . LYS A 214 ? -18.02380 20.93133 12.80190 1.000 54.98245 C ? A ? 208 CG 1
   ATOM 1645 CD . LYS A 214 ? -18.98868 19.80243 13.22013 1.000 52.33065 C ? A ? 208 CD 1
   ATOM 1646 CE . LYS A 214 ? -20.30418 20.36214 13.75518 1.000 60.23427 C ? A ? 208 CE 1
   ATOM 1647 NZ . LYS A 214 ? -21.44528 19.39934 13.60247 1.000 60.53271 N ? A ? 208 NZ 1
   ATOM 1648 N . ARG A 215 ? -16.18577 23.81411 12.79170 1.000 43.60317 N ? A ? 209 N 1
   ATOM 1649 CA . ARG A 215 ? -15.69449 24.78142 13.76228 1.000 42.92246 C ? A ? 209 CA 1
   ATOM 1650 C . ARG A 215 ? -15.04364 25.93614 13.01091 1.000 32.27252 C ? A ? 209 C 1
   ATOM 1651 O . ARG A 215 ? -14.65008 25.80130 11.84701 1.000 35.17497 O ? A ? 209 O 1
   ATOM 1652 CB . ARG A 215 ? -14.71459 24.11169 14.73296 1.000 42.29900 C ? A ? 209 CB 1
   ATOM 1653 CG . ARG A 215 ? -15.19325 22.72413 15.20431 1.000 41.47301 C ? A ? 209 CG 1
   ATOM 1654 CD . ARG A 215 ? -14.29855 22.10033 16.26681 1.000 40.37854 C ? A ? 209 CD 1
   ATOM 1655 NE . ARG A 215 ? -13.46379 21.00610 15.77504 1.000 55.47130 N ? A ? 209 NE 1
   ATOM 1656 CZ . ARG A 215 ? -12.64314 20.29817 16.54645 1.000 58.89931 C ? A ? 209 CZ 1
   ATOM 1657 NH1 . ARG A 215 ? -12.56326 20.51415 17.85268 1.000 51.62355 N ? A ? 209 NH1 1
   ATOM 1658 NH2 . ARG A 215 ? -11.87873 19.35578 15.99585 1.000 52.60029 N ? A ? 209 NH2 1
   ATOM 1659 N . ASP A 216 ? -15.00509 27.10584 13.62565 1.000 33.19072 N ? A ? 210 N 1
   ATOM 1660 CA . ASP A 216 ? -14.33459 28.15868 12.87805 1.000 35.71175 C ? A ? 210 CA 1
   ATOM 1661 C . ASP A 216 ? -12.83639 28.00934 13.08524 1.000 26.56403 C ? A ? 210 C 1
   ATOM 1662 O . ASP A 216 ? -12.36988 27.56721 14.13881 1.000 28.08054 O ? A ? 210 O 1
   ATOM 1663 CB . ASP A 216 ? -14.83893 29.56905 13.19387 1.000 43.97434 C ? A ? 210 CB 1
   ATOM 1664 CG . ASP A 216 ? -14.45285 30.05890 14.53504 1.000 40.60954 C ? A ? 210 CG 1
   ATOM 1665 OD1 . ASP A 216 ? -14.44912 29.23243 15.46282 1.000 46.60458 O ? A ? 210 OD1 1
   ATOM 1666 OD2 . ASP A 216 ? -14.18895 31.28733 14.63792 1.000 36.76590 O ? A ? 210 OD2 1
   ATOM 1667 N . HIS A 217 ? -12.10226 28.31321 12.03224 1.000 23.28918 N ? A ? 211 N 1
   ATOM 1668 CA . HIS A 217 ? -10.78895 27.72855 11.85264 1.000 20.04183 C ? A ? 211 CA 1
   ATOM 1669 C . HIS A 217 ? -10.06460 28.54154 10.79298 1.000 27.83145 C ? A ? 211 C 1
   ATOM 1670 O . HIS A 217 ? -10.66014 29.32756 10.05957 1.000 21.85831 O ? A ? 211 O 1
   ATOM 1671 CB . HIS A 217 ? -10.92133 26.24932 11.43432 1.000 27.33002 C ? A ? 211 CB 1
   ATOM 1672 CG . HIS A 217 ? -11.36706 26.07960 10.01761 1.000 35.42637 C ? A ? 211 CG 1
   ATOM 1673 ND1 . HIS A 217 ? -12.68125 26.22988 9.62880 1.000 32.55360 N ? A ? 211 ND1 1
   ATOM 1674 CD2 . HIS A 217 ? -10.66331 25.84356 8.88424 1.000 37.13622 C ? A ? 211 CD2 1
   ATOM 1675 CE1 . HIS A 217 ? -12.77289 26.05268 8.32303 1.000 37.76703 C ? A ? 211 CE1 1
   ATOM 1676 NE2 . HIS A 217 ? -11.56378 25.81593 7.84831 1.000 41.58892 N ? A ? 211 NE2 1
   ATOM 1677 N . MET A 218 ? -8.75745 28.34446 10.72773 1.000 20.98432 N ? A ? 212 N 1
   ATOM 1678 CA . MET A 218 ? -7.92477 28.83174 9.65737 1.000 20.35555 C ? A ? 212 CA 1
   ATOM 1679 C . MET A 218 ? -7.05790 27.67486 9.20728 1.000 21.95114 C ? A ? 212 C 1
   ATOM 1680 O . MET A 218 ? -6.45373 26.99034 10.04131 1.000 20.02352 O ? A ? 212 O 1
   ATOM 1681 CB . MET A 218 ? -7.06778 30.03261 10.12719 1.000 16.67688 C ? A ? 212 CB 1
   ATOM 1682 CG . MET A 218 ? -6.13445 30.62518 9.11140 1.000 23.16564 C ? A ? 212 CG 1
   ATOM 1683 SD . MET A 218 ? -5.30986 32.01399 9.88148 1.000 20.61076 S ? A ? 212 SD 1
   ATOM 1684 CE . MET A 218 ? -4.50129 31.34136 11.28627 1.000 16.54552 C ? A ? 212 CE 1
   ATOM 1685 N . VAL A 219 ? -7.02410 27.45360 7.91193 1.000 17.72976 N ? A ? 213 N 1
   ATOM 1686 CA . VAL A 219 ? -6.00477 26.64780 7.26373 1.000 19.89473 C ? A ? 213 CA 1
   ATOM 1687 C . VAL A 219 ? -4.93816 27.61038 6.76006 1.000 20.20064 C ? A ? 213 C 1
   ATOM 1688 O . VAL A 219 ? -5.24839 28.62833 6.12055 1.000 19.13517 O ? A ? 213 O 1
   ATOM 1689 CB . VAL A 219 ? -6.62680 25.80289 6.13161 1.000 25.23675 C ? A ? 213 CB 1
   ATOM 1690 CG1 . VAL A 219 ? -5.64363 24.86774 5.52566 1.000 22.70441 C ? A ? 213 CG1 1
   ATOM 1691 CG2 . VAL A 219 ? -7.85520 25.01154 6.67429 1.000 25.78522 C ? A ? 213 CG2 1
   ATOM 1692 N . LEU A 220 ? -3.68472 27.31173 7.05905 1.000 18.87982 N ? A ? 214 N 1
   ATOM 1693 CA . LEU A 220 ? -2.59917 28.23818 6.80687 1.000 20.28356 C ? A ? 214 CA 1
   ATOM 1694 C . LEU A 220 ? -1.43332 27.52391 6.12997 1.000 18.55725 C ? A ? 214 C 1
   ATOM 1695 O . LEU A 220 ? -1.02331 26.44416 6.56364 1.000 19.93476 O ? A ? 214 O 1
   ATOM 1696 CB . LEU A 220 ? -2.15187 28.86551 8.14049 1.000 21.29328 C ? A ? 214 CB 1
   ATOM 1697 CG . LEU A 220 ? -1.11884 29.99350 8.13743 1.000 17.40357 C ? A ? 214 CG 1
   ATOM 1698 CD1 . LEU A 220 ? -1.65025 31.28871 7.45883 1.000 23.46112 C ? A ? 214 CD1 1
   ATOM 1699 CD2 . LEU A 220 ? -0.68970 30.33270 9.56456 1.000 21.33106 C ? A ? 214 CD2 1
   ATOM 1700 N . LEU A 221 ? -0.92764 28.11914 5.05774 1.000 17.69927 N ? A ? 215 N 1
   ATOM 1701 CA . LEU A 221 ? 0.35667 27.79808 4.46342 1.000 19.46036 C ? A ? 215 CA 1
   ATOM 1702 C . LEU A 221 ? 1.29057 28.99189 4.60855 1.000 16.32344 C ? A ? 215 C 1
   ATOM 1703 O . LEU A 221 ? 0.90831 30.14019 4.34400 1.000 21.50990 O ? A ? 215 O 1
   ATOM 1704 CB . LEU A 221 ? 0.17908 27.48285 2.99020 1.000 25.88283 C ? A ? 215 CB 1
   ATOM 1705 CG . LEU A 221 ? 1.27919 26.72796 2.28677 1.000 29.30678 C ? A ? 215 CG 1
   ATOM 1706 CD1 . LEU A 221 ? 1.99874 25.80043 3.15864 1.000 32.90945 C ? A ? 215 CD1 1
   ATOM 1707 CD2 . LEU A 221 ? 0.50699 25.93915 1.30604 1.000 45.22980 C ? A ? 215 CD2 1
   ATOM 1708 N . GLU A 222 ? 2.54099 28.72723 4.94186 1.000 20.49460 N ? A ? 216 N 1
   ATOM 1709 CA . GLU A 222 ? 3.47659 29.79419 5.22173 1.000 17.09601 C ? A ? 216 CA 1
   ATOM 1710 C . GLU A 222 ? 4.84284 29.39750 4.68669 1.000 24.67432 C ? A ? 216 C 1
   ATOM 1711 O . GLU A 222 ? 5.27733 28.25557 4.86662 1.000 20.85424 O ? A ? 216 O 1
   ATOM 1712 CB . GLU A 222 ? 3.51676 30.09823 6.71833 1.000 19.90097 C ? A ? 216 CB 1
   ATOM 1713 CG . GLU A 222 ? 4.37088 31.32874 7.11759 1.000 19.70036 C ? A ? 216 CG 1
   ATOM 1714 CD . GLU A 222 ? 3.98367 31.84585 8.52374 1.000 29.64007 C ? A ? 216 CD 1
   ATOM 1715 OE1 . GLU A 222 ? 2.76904 32.04229 8.80189 1.000 25.30242 O ? A ? 216 OE1 1
   ATOM 1716 OE2 . GLU A 222 ? 4.89863 32.02307 9.35866 1.000 28.38071 O ? A ? 216 OE2 1
   ATOM 1717 N . PHE A 223 ? 5.51246 30.33983 4.01375 1.000 15.32702 N ? A ? 217 N 1
   ATOM 1718 CA . PHE A 223 ? 6.91732 30.21199 3.67132 1.000 17.50911 C ? A ? 217 CA 1
   ATOM 1719 C . PHE A 223 ? 7.69810 31.34342 4.31234 1.000 16.62582 C ? A ? 217 C 1
   ATOM 1720 O . PHE A 223 ? 7.31855 32.51597 4.19557 1.000 16.80617 O ? A ? 217 O 1
   ATOM 1721 CB . PHE A 223 ? 7.11039 30.23086 2.15465 1.000 22.07785 C ? A ? 217 CB 1
   ATOM 1722 CG . PHE A 223 ? 6.46718 29.05817 1.45319 1.000 28.61861 C ? A ? 217 CG 1
   ATOM 1723 CD1 . PHE A 223 ? 7.14142 27.84922 1.31398 1.000 30.10520 C ? A ? 217 CD1 1
   ATOM 1724 CD2 . PHE A 223 ? 5.18391 29.16058 0.94775 1.000 30.24039 C ? A ? 217 CD2 1
   ATOM 1725 CE1 . PHE A 223 ? 6.54181 26.77139 0.67077 1.000 36.83430 C ? A ? 217 CE1 1
   ATOM 1726 CE2 . PHE A 223 ? 4.58180 28.08144 0.30504 1.000 36.53445 C ? A ? 217 CE2 1
   ATOM 1727 CZ . PHE A 223 ? 5.26797 26.88774 0.17328 1.000 32.96090 C ? A ? 217 CZ 1
   ATOM 1728 N . VAL A 224 ? 8.79355 31.00501 4.98561 1.000 20.20499 N ? A ? 218 N 1
   ATOM 1729 CA . VAL A 224 ? 9.60767 32.00016 5.66227 1.000 18.55168 C ? A ? 218 CA 1
   ATOM 1730 C . VAL A 224 ? 11.04294 31.72428 5.26006 1.000 18.84251 C ? A ? 218 C 1
   ATOM 1731 O . VAL A 224 ? 11.53649 30.59277 5.41509 1.000 21.98332 O ? A ? 218 O 1
   ATOM 1732 CB . VAL A 224 ? 9.44198 31.96646 7.19324 1.000 19.83177 C ? A ? 218 CB 1
   ATOM 1733 CG1 . VAL A 224 ? 10.26072 33.07073 7.85111 1.000 16.38535 C ? A ? 218 CG1 1
   ATOM 1734 CG2 . VAL A 224 ? 7.93937 32.06244 7.58533 1.000 20.54873 C ? A ? 218 CG2 1
   ATOM 1735 N . THR A 225 ? 11.68994 32.71792 4.65051 1.000 17.29724 N ? A ? 219 N 1
   ATOM 1736 CA . THR A 225 ? 13.05497 32.52294 4.20050 1.000 18.37210 C ? A ? 219 CA 1
   ATOM 1737 C . THR A 225 ? 13.89377 33.68181 4.70941 1.000 16.59931 C ? A ? 219 C 1
   ATOM 1738 O . THR A 225 ? 13.43455 34.82719 4.73030 1.000 17.80316 O ? A ? 219 O 1
   ATOM 1739 CB . THR A 225 ? 13.11997 32.40931 2.69506 1.000 24.50291 C ? A ? 219 CB 1
   ATOM 1740 OG1 . THR A 225 ? 12.52671 33.57268 2.12669 1.000 29.59443 O ? A ? 219 OG1 1
   ATOM 1741 CG2 . THR A 225 ? 12.35906 31.18331 2.23938 1.000 23.60653 C ? A ? 219 CG2 1
   ATOM 1742 N . ALA A 226 ? 15.11860 33.37960 5.11989 1.000 19.00571 N ? A ? 220 N 1
   ATOM 1743 CA . ALA A 226 ? 16.03844 34.36930 5.65204 1.000 16.94664 C ? A ? 220 CA 1
   ATOM 1744 C . ALA A 226 ? 16.96147 34.89051 4.56329 1.000 22.84461 C ? A ? 220 C 1
   ATOM 1745 O . ALA A 226 ? 17.30501 34.16567 3.63208 1.000 22.30602 O ? A ? 220 O 1
   ATOM 1746 CB . ALA A 226 ? 16.86649 33.76534 6.78555 1.000 23.36933 C ? A ? 220 CB 1
   ATOM 1747 N . ALA A 227 ? 17.37786 36.15358 4.71162 1.000 19.50618 N ? A ? 221 N 1
   ATOM 1748 CA . ALA A 227 ? 18.24003 36.77595 3.70350 1.000 24.37127 C ? A ? 221 CA 1
   ATOM 1749 C . ALA A 227 ? 18.95548 37.98493 4.29218 1.000 29.39165 C ? A ? 221 C 1
   ATOM 1750 O . ALA A 227 ? 18.69343 38.40711 5.41830 1.000 22.47502 O ? A ? 221 O 1
   ATOM 1751 CB . ALA A 227 ? 17.42461 37.19725 2.49522 1.000 27.38703 C ? A ? 221 CB 1
   ATOM 1752 N . GLY A 228 ? 19.86873 38.55623 3.50850 1.000 35.82231 N ? A ? 222 N 1
   ATOM 1753 CA . GLY A 228 ? 20.47458 39.82251 3.87853 1.000 32.15055 C ? A ? 222 CA 1
   ATOM 1754 C . GLY A 228 ? 21.95965 39.77547 4.16919 1.000 38.10137 C ? A ? 222 C 1
   ATOM 1755 O . GLY A 228 ? 22.54002 40.82472 4.49083 1.000 48.64317 O ? A ? 222 O 1
   ATOM 1756 N . ILE A 229 ? 22.60551 38.62046 4.09715 1.000 41.60409 N ? A ? 223 N 1
   ATOM 1757 CA . ILE A 229 ? 24.06336 38.56736 4.12628 1.000 49.00730 C ? A ? 223 CA 1
   ATOM 1758 C . ILE A 229 ? 24.53342 38.24551 2.71154 1.000 51.26351 C ? A ? 223 C 1
   ATOM 1759 O . ILE A 229 ? 23.72141 37.90637 1.83490 1.000 54.54836 O ? A ? 223 O 1
   ATOM 1760 CB . ILE A 229 ? 24.58755 37.53041 5.15327 1.000 45.51113 C ? A ? 223 CB 1
   ATOM 1761 CG1 . ILE A 229 ? 23.73773 37.55166 6.42546 1.000 46.10349 C ? A ? 223 CG1 1
   ATOM 1762 CG2 . ILE A 229 ? 26.02259 37.81009 5.51922 1.000 51.91795 C ? A ? 223 CG2 1
   ATOM 1763 CD1 . ILE A 229 ? 23.75806 38.87863 7.18971 1.000 39.44496 C ? A ? 223 CD1 1
   HETATM 1764 CB1 . CRO A 66 ? 3.03154 30.84674 12.05743 1.000 13.77514 C ? B ? . CB1 1
   HETATM 1765 CB2 . CRO A 66 ? 5.80434 35.47721 12.17817 1.000 19.52318 C ? B ? . CB2 1
   HETATM 1766 CG1 . CRO A 66 ? 2.15467 29.58869 12.14923 1.000 17.23987 C ? B ? . CG1 1
   HETATM 1767 OG1 . CRO A 66 ? 2.29574 31.83840 11.36975 1.000 17.25757 O ? B ? . OG1 1
   HETATM 1768 CG2 . CRO A 66 ? 5.33539 36.10140 10.96526 1.000 18.37847 C ? B ? . CG2 1
   HETATM 1769 CD1 . CRO A 66 ? 4.16336 35.69164 10.27770 1.000 18.48498 C ? B ? . CD1 1
   HETATM 1770 CD2 . CRO A 66 ? 5.89949 37.33636 10.63438 1.000 20.77819 C ? B ? . CD2 1
   HETATM 1771 CE1 . CRO A 66 ? 3.67763 36.38703 9.19042 1.000 23.23988 C ? B ? . CE1 1
   HETATM 1772 CE2 . CRO A 66 ? 5.43695 38.04178 9.52382 1.000 22.73589 C ? B ? . CE2 1
   HETATM 1773 CZ . CRO A 66 ? 4.30195 37.58195 8.82880 1.000 18.75979 C ? B ? . CZ 1
   HETATM 1774 OH . CRO A 66 ? 3.78833 38.24635 7.75814 1.000 25.61502 O ? B ? . OH 1
   HETATM 1775 C1 . CRO A 66 ? 4.38849 32.51058 13.38144 1.000 16.62826 C ? B ? . C1 1
   HETATM 1776 C2 . CRO A 66 ? 5.87880 33.98971 14.14632 1.000 16.70330 C ? B ? . C2 1
   HETATM 1777 C3 . CRO A 66 ? 6.31326 30.97490 15.90983 1.000 16.21749 C ? B ? . C3 1
   HETATM 1778 CA1 . CRO A 66 ? 3.49849 31.31776 13.46117 1.000 12.97710 C ? B ? . CA1 1
   HETATM 1779 CA2 . CRO A 66 ? 5.34560 34.37988 12.82859 1.000 17.29891 C ? B ? . CA2 1
   HETATM 1780 CA3 . CRO A 66 ? 5.38343 32.15282 15.66581 1.000 13.44789 C ? B ? . CA3 1
   HETATM 1781 N1 . CRO A 66 ? 2.35518 31.75796 14.27372 1.000 11.51938 N ? B ? . N1 1
   HETATM 1782 N2 . CRO A 66 ? 4.43761 33.39617 12.46147 1.000 14.37605 N ? B ? . N2 1
   HETATM 1783 N3 . CRO A 66 ? 5.21013 32.81581 14.39534 1.000 11.42653 N ? B ? . N3 1
   HETATM 1784 O2 . CRO A 66 ? 6.68192 34.46484 14.89914 1.000 12.74232 O ? B ? . O2 1
   HETATM 1785 O3 . CRO A 66 ? 6.72867 30.77495 17.05680 1.000 14.20872 O ? B ? . O3 1
   HETATM 1786 C1 . PGE A 301 ? -2.97458 19.97439 9.28415 1.000 36.72573 C ? C ? . C1 1
   HETATM 1787 C2 . PGE A 301 ? -1.76681 20.06384 8.39245 1.000 32.03960 C ? C ? . C2 1
   HETATM 1788 C3 . PGE A 301 ? 0.22863 18.74370 8.12711 1.000 34.47732 C ? C ? . C3 1
   HETATM 1789 C4 . PGE A 301 ? 0.86786 17.42889 8.54966 1.000 36.04405 C ? C ? . C4 1
   HETATM 1790 C5 . PGE A 301 ? 1.28653 15.87813 10.28283 1.000 34.73055 C ? C ? . C5 1
   HETATM 1791 C6 . PGE A 301 ? 1.64745 15.92826 11.75823 1.000 25.39373 C ? C ? . C6 1
   HETATM 1792 O1 . PGE A 301 ? -4.06007 19.40705 8.57347 1.000 37.67698 O ? C ? . O1 1
   HETATM 1793 O2 . PGE A 301 ? -1.16048 18.78846 8.36012 1.000 33.93350 O ? C ? . O2 1
   HETATM 1794 O3 . PGE A 301 ? 0.73315 17.12466 9.91926 1.000 38.47095 O ? C ? . O3 1
   HETATM 1795 O4 . PGE A 301 ? 0.45750 16.14798 12.47106 1.000 33.67818 O ? C ? . O4 1
   HETATM 1796 C1 . PEG A 302 ? -0.13319 38.05002 28.37558 1.000 35.33421 C ? D ? . C1 1
   HETATM 1797 C2 . PEG A 302 ? 0.23906 37.23453 29.59712 1.000 45.25781 C ? D ? . C2 1
   HETATM 1798 C3 . PEG A 302 ? 2.42078 36.48976 30.26997 1.000 41.01028 C ? D ? . C3 1
   HETATM 1799 C4 . PEG A 302 ? 2.46230 35.27486 31.16522 1.000 43.97926 C ? D ? . C4 1
   HETATM 1800 O1 . PEG A 302 ? 1.04890 38.51324 27.78038 1.000 35.31863 O ? D ? . O1 1
   HETATM 1801 O2 . PEG A 302 ? 1.36454 36.41781 29.33838 1.000 44.79829 O ? D ? . O2 1
   HETATM 1802 O4 . PEG A 302 ? 2.00584 34.11999 30.48886 1.000 35.45554 O ? D ? . O4 1
   HETATM 1811 O . HOH A 415 ? 24.28501 42.11440 8.61574 0.784 32.45278 O ? E ? . O 1
   HETATM 1813 O . HOH A 418 ? -2.46120 50.66136 19.75635 0.863 25.35994 O ? E ? . O 1
   HETATM 1815 O . HOH A 420 ? 22.47633 27.23441 12.12780 0.920 29.42357 O ? E ? . O 1
   HETATM 1819 O . HOH A 425 ? -1.87059 41.92338 4.63945 0.928 30.47053 O ? E ? . O 1
   HETATM 1821 O . HOH A 427 ? 11.81899 37.41066 25.50515 0.823 24.60439 O ? E ? . O 1
   HETATM 1826 O . HOH A 435 ? -4.17920 27.71414 3.10895 0.713 21.12470 O ? E ? . O 1
   HETATM 1827 O . HOH A 436 ? 21.54630 29.80989 26.07291 0.759 26.77347 O ? E ? . O 1
   HETATM 1828 O . HOH A 437 ? 22.28657 24.83201 15.78961 0.881 28.51167 O ? E ? . O 1
   HETATM 1829 O . HOH A 438 ? 7.16111 51.94411 15.51404 0.770 25.61063 O ? E ? . O 1
   HETATM 1831 O . HOH A 440 ? 2.72068 37.14706 5.69542 1.000 20.62079 O ? E ? . O 1
   HETATM 1835 O . HOH A 446 ? 4.64132 35.83689 21.45460 0.963 15.27850 O ? E ? . O 1
   HETATM 1836 O . HOH A 447 ? -15.64165 26.67421 16.67068 1.000 34.63688 O ? E ? . O 1
   HETATM 1839 O . HOH A 450 ? 13.90470 45.18256 13.62852 0.992 19.93565 O ? E ? . O 1
   HETATM 1840 O . HOH A 451 ? -0.56844 38.01478 15.82291 0.924 11.24091 O ? E ? . O 1
   HETATM 1841 O . HOH A 452 ? 3.26213 43.06471 0.95409 0.752 18.70499 O ? E ? . O 1
   HETATM 1845 O . HOH A 458 ? 8.13916 42.26475 23.49202 0.944 19.91417 O ? E ? . O 1
   HETATM 1847 O . HOH A 460 ? 8.56223 39.57208 1.98432 0.911 20.58596 O ? E ? . O 1
   HETATM 1848 O . HOH A 461 ? 11.64935 45.13197 10.44600 0.980 15.22021 O ? E ? . O 1
   HETATM 1852 O . HOH A 466 ? 20.32770 26.72814 25.36025 0.819 29.08281 O ? E ? . O 1
   HETATM 1853 O . HOH A 467 ? 9.06066 31.91528 16.84556 0.959 16.19640 O ? E ? . O 1
   HETATM 1854 O . HOH A 468 ? 12.40294 21.45495 25.27662 0.874 16.88572 O ? E ? . O 1
   HETATM 1855 O . HOH A 469 ? -4.45476 40.81379 6.97542 1.000 17.22064 O ? E ? . O 1
   HETATM 1857 O . HOH A 471 ? -14.78011 34.47079 14.07993 1.000 30.05867 O ? E ? . O 1
   HETATM 1861 O . HOH A 477 ? 12.17764 21.17803 9.67388 0.822 17.59472 O ? E ? . O 1
   HETATM 1862 O . HOH A 478 ? -18.37018 31.98420 20.30521 0.956 28.70586 O ? E ? . O 1
   HETATM 1864 O . HOH A 480 ? 22.67076 41.93635 15.03341 0.943 20.75652 O ? E ? . O 1
   HETATM 1866 O . HOH A 482 ? 18.31022 34.48561 13.81780 0.927 14.78916 O ? E ? . O 1
   HETATM 1868 O . HOH A 484 ? -11.68137 46.66647 17.12003 1.000 20.76541 O ? E ? . O 1
   HETATM 1871 O . HOH A 489 ? -0.79785 38.61264 12.31244 1.000 24.70068 O ? E ? . O 1
   HETATM 1872 O . HOH A 490 ? 9.94448 45.66809 8.06917 0.866 20.25249 O ? E ? . O 1
   HETATM 1874 O . HOH A 492 ? -4.53772 27.13583 25.45829 0.952 27.66490 O ? E ? . O 1
   HETATM 1876 O . HOH A 494 ? 15.54042 39.99478 23.69290 0.759 27.69850 O ? E ? . O 1
   HETATM 1877 O . HOH A 495 ? 5.96084 42.80135 24.79231 0.874 19.02196 O ? E ? . O 1
   HETATM 1880 O . HOH A 498 ? 20.57507 24.18891 28.67921 0.961 24.78747 O ? E ? . O 1
   HETATM 1881 O . HOH A 499 ? 4.48424 40.44073 25.99350 0.910 17.49041 O ? E ? . O 1
   HETATM 1882 O . HOH A 500 ? -1.82932 24.28513 5.07365 0.892 27.12534 O ? E ? . O 1
   HETATM 1883 O . HOH A 501 ? 1.54303 36.67908 2.01164 1.000 19.89780 O ? E ? . O 1
   HETATM 1885 O . HOH A 503 ? -8.48501 32.44236 27.75215 1.000 24.42838 O ? E ? . O 1
   HETATM 1886 O . HOH A 504 ? 14.23807 33.11624 28.65617 0.844 26.60159 O ? E ? . O 1
   HETATM 1888 O . HOH A 506 ? 8.02048 49.02332 13.53298 0.944 22.25829 O ? E ? . O 1
   HETATM 1893 O . HOH A 511 ? 6.87801 41.64860 1.34281 1.000 26.27609 O ? E ? . O 1
   HETATM 1895 O . HOH A 513 ? 9.12524 38.07048 7.84186 0.558 25.40886 O ? E ? . O 1
   HETATM 1896 O . HOH A 514 ? 17.81512 27.56538 24.83951 0.875 18.16257 O ? E ? . O 1
   HETATM 1898 O . HOH A 516 ? 6.03600 31.97014 19.44279 1.000 12.83039 O ? E ? . O 1
   HETATM 1899 O . HOH A 517 ? -13.81058 29.80089 10.10575 1.000 22.52310 O ? E ? . O 1
   HETATM 1900 O . HOH A 518 ? 1.02772 17.98458 16.19653 0.697 24.23684 O ? E ? . O 1
   HETATM 1902 O . HOH A 521 ? -2.29660 44.23502 31.79652 0.938 31.94080 O ? E ? . O 1
   HETATM 1905 O . HOH A 525 ? 5.11553 22.06659 6.03219 0.764 23.18673 O ? E ? . O 1
   HETATM 1906 O . HOH A 527 ? 4.98200 15.60364 23.61435 0.707 15.57168 O ? E ? . O 1
   HETATM 1908 O . HOH A 529 ? 13.32482 16.68869 15.31116 0.973 24.34511 O ? E ? . O 1
   HETATM 1909 O . HOH A 530 ? -6.79132 41.65089 6.63309 0.948 20.34318 O ? E ? . O 1
   HETATM 1912 O . HOH A 533 ? 11.96642 15.11742 11.26903 0.674 22.30598 O ? E ? . O 1
   HETATM 1915 O . HOH A 537 ? 4.91862 23.33688 -1.69237 1.000 23.72143 O ? E ? . O 1
   HETATM 1916 O . HOH A 538 ? 13.97146 16.93830 11.54926 1.000 27.33699 O ? E ? . O 1
   HETATM 1919 O . HOH A 541 ? 6.56092 44.04535 2.43311 0.868 24.63792 O ? E ? . O 1
   HETATM 1922 O . HOH A 544 ? 8.72518 28.43953 7.98798 0.774 23.15078 O ? E ? . O 1
   HETATM 1925 O . HOH A 549 ? -4.76615 34.99899 28.24514 1.000 29.21373 O ? E ? . O 1
   HETATM 1927 O . HOH A 551 ? -12.53129 40.30740 9.95912 0.978 21.23823 O ? E ? . O 1
   HETATM 1930 O . HOH A 555 ? 7.38706 14.20582 10.35225 0.902 26.07132 O ? E ? . O 1
   HETATM 1932 O . HOH A 557 ? 4.40911 34.30636 19.18730 1.000 15.48842 O ? E ? . O 1
   HETATM 1933 O . HOH A 558 ? 15.30845 45.28615 16.00201 0.939 21.62154 O ? E ? . O 1
   HETATM 1935 O . HOH A 560 ? -0.94304 45.53198 29.60000 1.000 29.86029 O ? E ? . O 1
   HETATM 1938 O . HOH A 563 ? -1.27369 41.28285 13.56316 0.994 15.89977 O ? E ? . O 1
   HETATM 1939 O . HOH A 565 ? 6.68842 31.07151 11.90149 0.610 15.67624 O ? E ? . O 1
   HETATM 1942 O . HOH A 568 ? 27.12220 32.20340 8.76110 0.852 25.14416 O ? E ? . O 1
   HETATM 1943 O . HOH A 569 ? 8.71298 29.98267 10.35179 0.735 18.66674 O ? E ? . O 1
   HETATM 1948 O . HOH A 575 ? 7.65399 44.42265 4.94653 0.964 23.17846 O ? E ? . O 1
   HETATM 1953 O . HOH A 582 ? 7.93218 47.25851 8.79273 0.979 20.88544 O ? E ? . O 1
   HETATM 1954 O . HOH A 584 ? 11.86229 44.91256 19.82025 0.840 14.56798 O ? E ? . O 1
   HETATM 1956 O . HOH A 587 ? -10.43376 30.56988 26.66052 1.000 29.98075 O ? E ? . O 1
   HETATM 1957 O . HOH A 588 ? -3.29030 50.65784 22.22398 0.781 27.79513 O ? E ? . O 1
   HETATM 1958 O . HOH A 589 ? -5.63530 21.43838 6.87633 0.875 32.29754 O ? E ? . O 1
   HETATM 1963 O . HOH A 594 ? 6.06794 24.94654 24.38386 0.653 15.46820 O ? E ? . O 1
   HETATM 1965 O . HOH A 596 ? 13.23508 46.10578 17.89172 0.954 17.97152 O ? E ? . O 1
   HETATM 1971 O . HOH A 603 ? 3.94337 47.68802 19.80990 1.000 16.66542 O ? E ? . O 1
   HETATM 1979 O . HOH A 613 ? -8.49282 45.78196 -0.71211 0.957 29.85697 O ? E ? . O 1
   HETATM 1980 O . HOH A 614 ? -17.28033 38.37023 17.95863 1.000 39.20274 O ? E ? . O 1
   HETATM 1983 O . HOH A 617 ? 9.99422 45.68302 4.43437 0.922 28.45098 O ? E ? . O 1
   HETATM 1992 O . HOH A 631 ? -3.09722 22.07494 6.64228 0.855 31.71785 O ? E ? . O 1
   HETATM 1996 O . HOH A 638 ? 8.71662 49.26476 10.77222 0.675 24.65588 O ? E ? . O 1
   HETATM 2001 O . HOH A 643 ? 9.21461 36.88312 10.64275 0.734 23.44485 O ? E ? . O 1
   HETATM 2007 O . HOH A 650 ? 6.43919 54.57439 16.43665 1.000 26.12817 O ? E ? . O 1
   HETATM 2011 O . HOH A 655 ? -2.83350 25.14329 2.30681 0.969 25.85965 O ? E ? . O 1
   HETATM 2012 O . HOH A 656 ? -13.55065 34.16386 6.53831 0.941 39.33766 O ? E ? . O 1
   HETATM 2015 O . HOH A 659 ? 11.62414 46.93700 6.15152 1.000 36.09577 O ? E ? . O 1
   HETATM 2018 O . HOH A 662 ? -17.55434 36.68591 19.90755 0.941 27.34305 O ? E ? . O 1
   HETATM 2574 O . HOH S 664 ? 15.23733 29.40899 12.04188 1.000 17.05738 O ? F ? . O 1
   HETATM 2576 O . HOH S 666 ? 11.19832 30.16315 17.30595 1.000 18.96647 O ? F ? . O 1
   HETATM 2581 O . HOH S 671 ? 6.60085 37.35351 15.27210 0.924 16.24744 O ? F ? . O 1
   HETATM 2597 O . HOH S 687 ? 4.23589 50.11906 18.72544 0.825 19.48367 O ? F ? . O 1
   HETATM 2599 O . HOH S 689 ? -3.00070 49.68567 28.77650 1.000 22.97991 O ? F ? . O 1
   HETATM 2604 O . HOH S 694 ? -10.08740 20.55794 10.01499 1.000 32.78683 O ? F ? . O 1
   HETATM 2605 O . HOH S 695 ? 24.76394 43.26262 11.69942 1.000 28.44689 O ? F ? . O 1
   HETATM 2608 O . HOH S 698 ? 2.72266 41.14620 5.88765 0.897 23.84570 O ? F ? . O 1
   HETATM 2609 O . HOH S 699 ? 18.42539 24.15157 23.18354 0.333 26.32242 O ? F ? . O 1
   HETATM 2610 O . HOH S 700 ? 2.07701 37.75274 -0.51528 0.936 27.56560 O ? F ? . O 1
   HETATM 2611 O . HOH S 701 ? -8.86884 30.88299 7.17030 1.000 24.50409 O ? F ? . O 1
   HETATM 2615 O . HOH S 705 ? -8.66055 22.36229 10.54366 1.000 32.33035 O ? F ? . O 1
   HETATM 2621 O . HOH S 711 ? -11.99586 19.81869 13.35368 1.000 45.26485 O ? F ? . O 1
   HETATM 2624 O . HOH S 714 ? 22.10644 44.52692 21.58934 0.992 31.03636 O ? F ? . O 1
   HETATM 2627 O . HOH S 717 ? -8.07815 46.73180 1.92462 0.972 28.70831 O ? F ? . O 1
   HETATM 2632 O . HOH S 722 ? 2.51281 43.41138 6.36881 1.000 24.98987 O ? F ? . O 1
   HETATM 2651 O . HOH S 741 ? -14.34430 31.66650 21.68508 0.979 23.93251 O ? F ? . O 1
   HETATM 2664 O . HOH S 754 ? 16.82186 24.47380 6.56819 0.798 30.73934 O ? F ? . O 1
   HETATM 2665 O . HOH S 755 ? 2.67757 35.70792 -2.25576 0.854 18.57214 O ? F ? . O 1
   HETATM 2674 O . HOH S 764 ? -4.54774 41.81050 4.55262 0.872 23.77983 O ? F ? . O 1
   HETATM 2686 O . HOH S 770 ? 6.27925 38.99461 16.84102 0.941 16.94359 O ? G ? . O 1
   HETATM 2688 O . HOH S 772 ? 13.10249 29.74554 18.87320 0.960 20.38340 O ? G ? . O 1
   HETATM 2690 O . HOH S 774 ? 11.44257 31.35070 19.86420 1.000 26.31373 O ? G ? . O 1
   HETATM 2694 O . HOH S 778 ? -6.41750 44.45247 21.21803 1.000 26.98358 O ? G ? . O 1
   HETATM 2696 O . HOH S 780 ? -7.58517 45.62666 18.94743 1.000 29.19187 O ? G ? . O 1
   HETATM 2698 O . HOH S 782 ? -12.84066 33.80905 9.31080 0.960 24.52352 O ? G ? . O 1
   HETATM 2699 O . HOH S 783 ? -14.13901 38.68701 13.31848 1.000 31.21402 O ? G ? . O 1
   HETATM 2700 O . HOH S 784 ? 17.15595 26.52531 8.05749 0.889 28.77093 O ? G ? . O 1
   HETATM 2701 O . HOH S 785 ? -0.96466 25.20116 26.89830 1.000 31.15432 O ? G ? . O 1
   HETATM 2702 O . HOH S 786 ? -9.77878 49.58773 14.19417 0.952 25.75413 O ? G ? . O 1
   HETATM 2706 O . HOH S 790 ? 22.07215 22.86327 26.27746 1.000 29.76680 O ? G ? . O 1
   HETATM 2707 O . HOH S 791 ? -3.78105 51.70896 24.66648 0.635 25.79713 O ? G ? . O 1
   HETATM 2710 O . HOH S 794 ? 19.57709 24.73739 9.46216 0.932 33.21967 O ? G ? . O 1
   HETATM 2716 O . HOH S 800 ? 20.30168 27.11211 10.34709 1.000 25.75556 O ? G ? . O 1
   HETATM 2721 O . HOH S 805 ? -10.17066 40.22451 31.32105 1.000 33.21124 O ? G ? . O 1
   HETATM 2722 O . HOH S 806 ? -15.70794 40.45564 18.51285 1.000 26.47859 O ? G ? . O 1
   HETATM 2724 O . HOH S 808 ? -9.66918 47.17255 27.41718 1.000 31.05254 O ? G ? . O 1
   HETATM 2729 O . HOH S 813 ? -6.65400 27.95538 26.57093 0.823 31.05298 O ? G ? . O 1
   HETATM 2731 O . HOH S 815 ? 21.28035 27.38098 14.73106 0.717 28.85458 O ? G ? . O 1
   HETATM 2737 O . HOH S 821 ? 21.86055 12.10072 13.72101 0.853 37.39509 O ? G ? . O 1
   HETATM 2742 O . HOH S 826 ? 3.64171 29.45165 27.33460 0.993 29.82710 O ? G ? . O 1
   HETATM 2749 O . HOH S 833 ? -0.08668 50.87011 14.39989 0.920 24.54646 O ? G ? . O 1
   HETATM 2754 O . HOH S 838 ? -12.68461 35.87838 13.09953 1.000 36.98868 O ? G ? . O 1
   HETATM 2756 O . HOH S 840 ? -20.37917 25.70071 13.89606 1.000 44.23970 O ? G ? . O 1
   HETATM 2763 O . HOH S 847 ? -3.43817 45.02309 29.11465 0.870 36.55693 O ? G ? . O 1
   HETATM 2768 O . HOH S 852 ? 16.07670 15.31626 12.62434 0.852 28.11584 O ? G ? . O 1
   HETATM 2803 O . HOH S 856 ? -11.19150 35.90347 10.03680 1.000 24.83834 O ? H ? . O 1
   HETATM 2804 O . HOH S 857 ? 11.69822 17.53577 24.13855 0.861 15.72346 O ? H ? . O 1
   HETATM 2805 O . HOH S 858 ? 5.92777 43.55336 27.30713 0.857 24.44353 O ? H ? . O 1
   HETATM 2806 O . HOH S 859 ? -10.79358 37.74844 8.05251 1.000 24.23848 O ? H ? . O 1
   HETATM 2807 O . HOH S 860 ? -12.32287 38.64414 3.66573 0.767 28.47205 O ? H ? . O 1
   HETATM 2809 O . HOH S 862 ? 10.48115 38.05614 27.45390 0.721 30.70538 O ? H ? . O 1
   HETATM 2811 O . HOH S 864 ? -6.28488 21.66255 14.36287 0.884 27.48960 O ? H ? . O 1
   HETATM 2812 O . HOH S 865 ? 12.77761 23.34395 27.42691 0.526 17.27627 O ? H ? . O 1
   HETATM 2813 O . HOH S 866 ? 8.26348 33.75652 1.76697 0.720 20.65089 O ? H ? . O 1
   HETATM 2814 O . HOH S 867 ? -19.73197 34.06461 19.70975 0.794 23.19166 O ? H ? . O 1
   HETATM 2818 O . HOH S 871 ? -3.58919 51.95882 9.89214 0.711 22.81218 O ? H ? . O 1
   HETATM 2819 O . HOH S 872 ? -12.92958 37.81785 11.07349 0.782 27.02082 O ? H ? . O 1
   HETATM 2823 O . HOH S 876 ? 7.53675 34.71554 9.60992 0.619 22.81479 O ? H ? . O 1
   HETATM 2828 O . HOH S 881 ? 21.78727 27.20999 7.86611 0.969 30.81819 O ? H ? . O 1
   HETATM 2829 O . HOH S 882 ? 1.58422 45.48281 30.57797 0.655 22.53057 O ? H ? . O 1
   HETATM 2837 O . HOH S 890 ? 0.00000 32.49122 0.00000 0.519 25.41753 O ? H ? . O 1
   HETATM 2840 O . HOH S 893 ? 7.03401 24.57225 -2.10902 0.937 31.45740 O ? H ? . O 1
   HETATM 2842 O . HOH S 895 ? 17.93640 25.01456 2.62863 0.936 26.46882 O ? H ? . O 1
   HETATM 2848 O . HOH S 901 ? 13.22212 47.51246 10.22372 0.718 19.56452 O ? H ? . O 1
   HETATM 2853 O . HOH S 906 ? 21.00529 26.06452 22.90376 0.639 29.91261 O ? H ? . O 1
   HETATM 2857 O . HOH S 910 ? -9.73654 54.65266 11.47627 1.000 43.85067 O ? H ? . O 1
   HETATM 2858 O . HOH S 911 ? -16.35735 31.86436 23.41653 0.677 24.97559 O ? H ? . O 1
   HETATM 2860 O . HOH S 913 ? -9.49427 17.93749 15.41311 0.688 25.71649 O ? H ? . O 1
   HETATM 2872 O . HOH S 925 ? -0.56825 47.19027 1.56620 0.952 37.58785 O ? H ? . O 1
   HETATM 2874 O . HOH S 927 ? 3.40652 32.27665 28.53421 0.797 28.72662 O ? H ? . O 1
   HETATM 2880 O . HOH S 933 ? 2.85619 14.35981 22.38639 0.702 28.76715 O ? H ? . O 1
   HETATM 2911 O . HOH S 940 ? -5.74072 53.43719 4.82372 0.840 31.27293 O ? I ? . O 1
   HETATM 2913 O . HOH S 942 ? 26.50713 36.01433 1.70570 0.977 31.44899 O ? I ? . O 1
   HETATM 2916 O . HOH S 945 ? 22.29576 44.18837 24.17634 0.755 38.23440 O ? I ? . O 1
   HETATM 2922 O . HOH S 951 ? 20.67996 23.59808 22.41400 0.541 25.94979 O ? I ? . O 1
   HETATM 2923 O . HOH S 952 ? 13.12257 16.26679 19.81740 0.540 22.84451 O ? I ? . O 1
   HETATM 2926 O . HOH S 955 ? -13.21776 33.88845 3.88403 0.735 25.46102 O ? I ? . O 1
   HETATM 2927 O . HOH S 956 ? 2.48757 16.13116 17.32143 0.607 21.03101 O ? I ? . O 1
   HETATM 2932 O . HOH S 961 ? 7.17616 44.22997 7.66643 0.555 20.15610 O ? I ? . O 1
   HETATM 2939 O . HOH S 968 ? 28.48710 34.03656 5.58714 0.676 24.35770 O ? I ? . O 1
   HETATM 2942 O . HOH S 971 ? 21.48641 36.41561 1.45391 1.000 42.42218 O ? I ? . O 1
   HETATM 2944 O . HOH S 973 ? -17.44898 28.57323 16.48380 0.601 32.72654 O ? I ? . O 1
   HETATM 2945 O . HOH S 974 ? 21.41033 32.25013 27.50149 0.794 28.24677 O ? I ? . O 1
   HETATM 2947 O . HOH S 976 ? 3.27186 52.53055 16.30795 0.706 25.29020 O ? I ? . O 1
   HETATM 2950 O . HOH S 979 ? 10.84626 15.77563 15.43292 0.539 22.85422 O ? I ? . O 1
   HETATM 2951 O . HOH S 980 ? -9.08744 18.62833 11.65421 0.837 30.96062 O ? I ? . O 1
   HETATM 2953 O . HOH S 982 ? -7.11206 19.62197 13.09151 0.736 26.80163 O ? I ? . O 1
   HETATM 2957 O . HOH S 986 ? -8.19619 39.12956 15.10739 0.367 17.84435 O ? I ? . O 1
   HETATM 2959 O . HOH S 988 ? 25.62998 34.02067 22.53926 0.669 25.14490 O ? I ? . O 1
   HETATM 2960 O . HOH S 989 ? 10.69494 40.92305 26.91456 0.717 29.68538 O ? I ? . O 1
   HETATM 2963 O . HOH S 992 ? 11.99995 36.58859 28.98116 0.753 29.72731 O ? I ? . O 1
   HETATM 2964 O . HOH S 993 ? 6.88558 50.76859 19.56588 0.346 23.32241 O ? I ? . O 1
   HETATM 2965 O . HOH S 994 ? -1.05414 44.59652 2.80358 0.716 28.94170 O ? I ? . O 1
   HETATM 2967 O . HOH S 996 ? 6.67016 42.45999 29.52362 0.782 36.78901 O ? I ? . O 1
   HETATM 2971 O . HOH S 1000 ? -9.92045 51.37272 9.05058 0.586 26.67183 O ? I ? . O 1
   HETATM 2976 O . HOH S 1005 ? 7.31065 41.64147 26.57892 0.393 25.64765 O ? I ? . O 1
   HETATM 2979 O . HOH S 1008 ? 14.96982 47.20571 12.17213 0.505 21.18298 O ? I ? . O 1
   HETATM 3002 O . HOH S 1010 ? -15.93542 40.11468 14.77037 0.838 30.02622 O ? J ? . O 1
   HETATM 3003 O . HOH S 1011 ? -15.11885 38.05239 15.71948 0.994 32.52981 O ? J ? . O 1
   HETATM 3004 O . HOH S 1012 ? -4.52951 50.39939 30.36626 0.704 29.20970 O ? J ? . O 1
   HETATM 3011 O . HOH S 1019 ? -9.32014 33.85136 7.44515 0.870 27.52214 O ? J ? . O 1
   HETATM 3017 O . HOH S 1025 ? 21.94362 29.83725 -1.29556 0.816 36.34792 O ? J ? . O 1
   HETATM 3021 O . HOH S 1029 ? 27.75708 35.72933 3.91355 0.720 31.86452 O ? J ? . O 1
   HETATM 3023 O . HOH S 1031 ? 10.08589 35.37130 30.31290 0.739 27.42799 O ? J ? . O 1
   HETATM 3032 O . HOH S 1040 ? 14.80704 30.71222 0.34969 0.988 39.80517 O ? J ? . O 1
   HETATM 3041 O . HOH S 1049 ? -14.61412 35.00836 22.74578 0.499 23.27665 O ? J ? . O 1
   HETATM 3042 O . HOH S 1050 ? 8.77628 37.83094 13.12169 0.542 15.51816 O ? J ? . O 1
   HETATM 3043 O . HOH S 1051 ? 20.44555 25.69812 30.51732 0.616 31.00368 O ? J ? . O 1
   HETATM 3046 O . HOH S 1054 ? -14.31685 47.93538 5.97675 0.640 30.55409 O ? J ? . O 1
   HETATM 3047 O . HOH S 1055 ? 18.08262 24.08644 29.55700 0.707 25.71700 O ? J ? . O 1
   HETATM 3048 O . HOH S 1056 ? -8.49784 49.16255 29.34981 0.929 34.53181 O ? J ? . O 1
   HETATM 3052 O . HOH S 1060 ? -2.23884 54.16049 8.69646 0.503 18.60543 O ? J ? . O 1
   HETATM 3054 O . HOH S 1062 ? -12.86683 30.19393 27.57988 1.000 37.25962 O ? J ? . O 1
   HETATM 3057 O . HOH S 1065 ? 5.18030 43.26786 9.48831 0.406 25.90575 O ? J ? . O 1
   HETATM 3062 O . HOH S 1070 ? 5.92733 40.14634 28.33112 0.428 23.37367 O ? J ? . O 1
   HETATM 3065 O . HOH S 1073 ? -20.92534 20.10640 10.53262 0.696 34.66328 O ? J ? . O 1
   HETATM 3069 O . HOH S 1077 ? 6.03504 46.20495 6.61807 0.473 25.26496 O ? J ? . O 1
   HETATM 3071 O . HOH S 1079 ? 12.69161 31.23004 30.33230 0.757 27.80597 O ? J ? . O 1

data_comp_CRO
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.charge
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   CRO N1 N NH2 0 -0.790 -0.9479 -2.7057 -1.6523
   CRO CA1 C CH1 0 -0.243 -1.8502 -1.8012 -0.9719
   CRO CB1 C CH1 0 0.008 -2.4504 -2.3321 0.3590
   CRO CG1 C CH3 0 -0.697 -3.3792 -3.5101 0.1113
   CRO OG1 O OH1 0 -0.655 -1.4354 -2.6411 1.2857
   CRO C1 C CR5 0 0.576 -1.1407 -0.5121 -0.7099
   CRO N2 N N 0 -0.492 0.1355 -0.4214 -0.5506
   CRO N3 N NR5 0 -0.542 -1.8084 0.6866 -0.5923
   CRO C2 C CR5 0 0.533 -0.8819 1.6593 -0.3005
   CRO O2 O O 0 -0.459 -1.1171 2.8398 -0.1298
   CRO CA2 C CR5 0 0.085 0.3981 0.9161 -0.2885
   CRO CA3 C CH2 0 -0.474 -3.2233 0.9556 -0.6269
   CRO C3 C C 0 0.421 -3.8465 1.1883 0.7692
   CRO O3 O O 0 -0.587 -3.1491 0.9134 1.7578
   CRO CB2 C C1 0 -0.393 1.5860 1.5111 -0.0627
   CRO CG2 C CR6 0 0.135 2.9128 0.9377 -0.0243
   CRO CD1 C CR16 0 -0.302 3.1893 -0.4279 -0.2022
   CRO CD2 C CR16 0 -0.286 3.9973 1.7936 0.2039
   CRO CE1 C CR16 0 -0.314 4.4820 -0.9063 -0.1547
   CRO CE2 C CR16 0 -0.377 5.2966 1.3256 0.2519
   CRO CZ C CR6 0 0.357 5.5494 -0.0332 0.0711
   CRO OH O OH1 0 -0.620 6.7859 -0.5522 0.1034
   CRO OXT O OC -1 -0.610 -5.0146 1.6161 0.7438
   CRO H H HNH2 0 0.358 -1.3915 -3.6009 -1.8072
   CRO HA1 H HCH1 0 0.264 -2.6903 -1.6042 -1.6473
   CRO HB1 H HCH1 0 0.248 -3.0233 -1.5264 0.8232
   CRO HG11 H HCH3 0 0.220 -2.8563 -4.3537 -0.3459
   CRO HG12 H HCH3 0 0.249 -3.8125 -3.8592 1.0486
   CRO HG13 H HCH3 0 0.235 -4.1977 -3.2280 -0.5519
   CRO HOG1 H HOH1 0 0.437 -0.9515 -3.4088 0.9638
   CRO HA31 H HCH2 0 0.268 -3.3992 1.8258 -1.2613
   CRO HA32 H HCH2 0 0.270 -3.7335 0.1211 -1.1104
   CRO HB2 H H 0 0.263 1.5373 2.5818 0.1124
   CRO HD1 H HCR6 0 0.277 2.3763 -1.1180 -0.3778
   CRO HD2 H HCR6 0 0.263 3.8196 2.8530 0.3445
   CRO HE1 H HCR6 0 0.268 4.6761 -1.9627 -0.2927
   CRO HE2 H HCR6 0 0.277 6.1134 2.0158 0.4283
   CRO HOH H HOH1 0 0.479 7.4407 0.1381 0.2602

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   CRO CG1 CB1 single 1.520 0.020 1.520
   CRO OG1 CB1 single 1.409 0.020 1.409
   CRO CB1 CA1 single 1.554 0.020 1.554
   CRO N1 CA1 single 1.448 0.020 1.448
   CRO OH CZ single 1.341 0.020 1.341
   CRO CE1 CZ aromatic 1.397 0.020 1.397
   CRO CE1 CD1 aromatic 1.379 0.020 1.379
   CRO CA1 C1 single 1.495 0.020 1.495
   CRO CZ CE2 aromatic 1.394 0.020 1.394
   CRO CD1 CG2 aromatic 1.405 0.020 1.405
   CRO N2 C1 double 1.289 0.020 1.289
   CRO N2 CA2 single 1.388 0.020 1.388
   CRO C1 N3 single 1.377 0.020 1.377
   CRO CE2 CD2 aromatic 1.382 0.020 1.382
   CRO CG2 CD2 aromatic 1.400 0.020 1.400
   CRO CG2 CB2 single 1.446 0.020 1.446
   CRO N3 CA3 single 1.441 0.020 1.441
   CRO N3 C2 single 1.375 0.020 1.375
   CRO CA2 CB2 double 1.348 0.020 1.348
   CRO CA2 C2 single 1.480 0.020 1.480
   CRO CA3 C3 single 1.547 0.020 1.547
   CRO OXT C3 deloc 1.244 0.020 1.244
   CRO C3 O3 deloc 1.241 0.020 1.241
   CRO C2 O2 double 1.216 0.020 1.216
   CRO N1 H single 0.890 0.020 1.040
   CRO CA1 HA1 single 0.970 0.020 1.090
   CRO CB1 HB1 single 0.970 0.020 1.090
   CRO CG1 HG11 single 0.970 0.020 1.090
   CRO CG1 HG12 single 0.970 0.020 1.090
   CRO CG1 HG13 single 0.970 0.020 1.090
   CRO OG1 HOG1 single 0.850 0.020 0.980
   CRO CA3 HA31 single 0.970 0.020 1.090
   CRO CA3 HA32 single 0.970 0.020 1.090
   CRO CB2 HB2 single 0.930 0.020 1.080
   CRO CD1 HD1 single 0.930 0.020 1.080
   CRO CD2 HD2 single 0.930 0.020 1.080
   CRO CE1 HE1 single 0.930 0.020 1.080
   CRO CE2 HE2 single 0.930 0.020 1.080
   CRO OH HOH single 0.850 0.020 0.980

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   CRO H N1 CA1 110.60 3.000
   CRO HA1 CA1 C1 108.48 3.000
   CRO HA1 CA1 CB1 107.06 3.000
   CRO C1 CA1 CB1 109.15 3.000
   CRO HA1 CA1 N1 107.49 3.000
   CRO C1 CA1 N1 108.99 3.000
   CRO CB1 CA1 N1 115.46 3.000
   CRO HB1 CB1 OG1 105.08 3.000
   CRO HB1 CB1 CG1 108.69 3.000
   CRO OG1 CB1 CG1 112.17 3.000
   CRO HB1 CB1 CA1 108.34 3.000
   CRO OG1 CB1 CA1 111.11 3.000
   CRO CG1 CB1 CA1 111.18 3.000
   CRO HG13 CG1 HG12 107.91 3.000
   CRO HG13 CG1 HG11 107.72 3.000
   CRO HG12 CG1 HG11 107.62 3.000
   CRO HG13 CG1 CB1 110.92 3.000
   CRO HG12 CG1 CB1 110.54 3.000
   CRO HG11 CG1 CB1 111.96 3.000
   CRO HOG1 OG1 CB1 108.49 3.000
   CRO N3 C1 N2 114.09 3.000
   CRO N3 C1 CA1 122.38 3.000
   CRO N2 C1 CA1 123.52 3.000
   CRO CA2 N2 C1 106.17 3.000
   CRO CA3 N3 C2 122.33 3.000
   CRO C2 N3 C1 107.90 3.000
   CRO CA3 N3 C1 129.54 3.000
   CRO CA2 C2 O2 130.82 3.000
   CRO O2 C2 N3 125.91 3.000
   CRO CA2 C2 N3 103.25 3.000
   CRO CB2 CA2 C2 122.81 3.000
   CRO C2 CA2 N2 108.58 3.000
   CRO CB2 CA2 N2 128.60 3.000
   CRO HA32 CA3 HA31 106.08 3.000
   CRO HA32 CA3 C3 109.06 3.000
   CRO HA31 CA3 C3 109.87 3.000
   CRO HA32 CA3 N3 109.09 3.000
   CRO HA31 CA3 N3 108.74 3.000
   CRO C3 CA3 N3 113.72 3.000
   CRO OXT C3 O3 128.33 3.000
   CRO O3 C3 CA3 117.36 3.000
   CRO OXT C3 CA3 114.31 3.000
   CRO HB2 CB2 CG2 115.33 3.000
   CRO HB2 CB2 CA2 115.01 3.000
   CRO CG2 CB2 CA2 129.66 3.000
   CRO CD2 CG2 CD1 117.55 3.000
   CRO CD2 CG2 CB2 118.20 3.000
   CRO CD1 CG2 CB2 124.25 3.000
   CRO HD1 CD1 CE1 119.29 3.000
   CRO HD1 CD1 CG2 119.55 3.000
   CRO CE1 CD1 CG2 121.15 3.000
   CRO HD2 CD2 CE2 118.75 3.000
   CRO HD2 CD2 CG2 119.46 3.000
   CRO CE2 CD2 CG2 121.79 3.000
   CRO HE1 CE1 CZ 119.55 3.000
   CRO HE1 CE1 CD1 120.13 3.000
   CRO CZ CE1 CD1 120.32 3.000
   CRO HE2 CE2 CZ 120.35 3.000
   CRO HE2 CE2 CD2 119.90 3.000
   CRO CZ CE2 CD2 119.75 3.000
   CRO OH CZ CE2 122.77 3.000
   CRO CE2 CZ CE1 119.44 3.000
   CRO OH CZ CE1 117.79 3.000
   CRO HOH OH CZ 110.66 3.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   CRO CONST_01 CZ CE1 CD1 CG2 0.00 0.0 0
   CRO CONST_02 CZ CE2 CD2 CG2 0.00 0.0 0
   CRO CONST_03 CE2 CZ CE1 CD1 0.00 0.0 0
   CRO CONST_04 CE2 CD2 CG2 CD1 0.00 0.0 0
   CRO CONST_05 CE1 CZ CE2 CD2 0.00 0.0 0
   CRO CONST_06 CE1 CD1 CG2 CD2 0.00 0.0 0
   CRO CONST_07 C2 CA2 N2 C1 0.00 0.0 0
   CRO CONST_08 CA2 C2 N3 C1 0.00 0.0 0
   CRO CONST_09 C2 N3 C1 N2 0.00 0.0 0
   CRO CONST_10 N3 C2 CA2 N2 0.00 0.0 0
   CRO CONST_11 CA2 N2 C1 N3 0.00 0.0 0
   CRO CONST_12 CE1 CD1 CG2 CB2 180.00 0.0 0
   CRO CONST_13 CE2 CD2 CG2 CB2 180.00 0.0 0
   CRO CONST_14 OH CZ CE1 CD1 180.00 0.0 0
   CRO CONST_15 OH CZ CE2 CD2 180.00 0.0 0
   CRO CONST_16 CA2 N2 C1 CA1 180.00 0.0 0
   CRO CONST_17 C2 N3 C1 CA1 180.00 0.0 0
   CRO CONST_18 O2 C2 N3 C1 180.00 0.0 0
   CRO CONST_19 CA3 N3 C1 N2 180.00 0.0 0
   CRO CONST_20 CG2 CB2 CA2 N2 0.00 0.0 0
   CRO CONST_21 CG2 CB2 CA2 C2 180.00 0.0 0
   CRO CONST_22 CA3 N3 C2 CA2 180.00 0.0 0
   CRO CONST_23 HE1 CE1 CD1 CG2 180.00 0.0 0
   CRO CONST_24 HE2 CE2 CD2 CG2 180.00 0.0 0
   CRO CONST_25 HD2 CD2 CG2 CD1 180.00 0.0 0
   CRO CONST_26 HD1 CD1 CG2 CD2 180.00 0.0 0
   CRO CONST_27 HE2 CE2 CZ CE1 180.00 0.0 0
   CRO CONST_28 HE1 CE1 CZ CE2 180.00 0.0 0
   CRO CONST_29 HD1 CD1 CE1 CZ 180.00 0.0 0
   CRO CONST_30 HD2 CD2 CE2 CZ 180.00 0.0 0
   CRO CONST_31 CA3 N3 C1 CA1 0.00 0.0 0
   CRO CONST_32 CA3 N3 C2 O2 0.00 0.0 0
   CRO CONST_33 HB2 CB2 CA2 N2 180.00 0.0 0
   CRO CONST_34 HB2 CB2 CA2 C2 0.00 0.0 0
   CRO Var_01 CD1 CG2 CB2 CA2 -1.42 30.0 2
   CRO Var_02 CD2 CG2 CB2 CA2 178.55 30.0 2
   CRO Var_03 C3 CA3 N3 C1 102.05 30.0 3
   CRO Var_04 C3 CA3 N3 C2 -71.80 30.0 3
   CRO Var_05 HA31 CA3 N3 C1 -135.20 30.0 3
   CRO Var_06 HA32 CA3 N3 C1 -19.93 30.0 3
   CRO Var_07 HA31 CA3 N3 C2 50.96 30.0 3
   CRO Var_08 HA32 CA3 N3 C2 166.23 30.0 3
   CRO Var_09 HB2 CB2 CG2 CD1 178.85 30.0 2
   CRO Var_10 HB2 CB2 CG2 CD2 -1.18 30.0 2
   CRO Var_11 OXT C3 CA3 N3 169.79 30.0 3
   CRO Var_12 O3 C3 CA3 N3 -11.32 30.0 3
   CRO Var_13 HA31 CA3 C3 O3 -133.45 30.0 2
   CRO Var_14 HA32 CA3 C3 O3 110.67 30.0 2
   CRO Var_15 HA31 CA3 C3 OXT 47.65 30.0 2
   CRO Var_16 HA32 CA3 C3 OXT -68.22 30.0 2
   CRO Var_17 HA1 CA1 C1 N2 -144.96 30.0 2
   CRO Var_18 HOH OH CZ CE1 179.69 30.0 2
   CRO Var_19 HB1 CB1 CA1 C1 50.94 30.0 1
   CRO Var_21 H N1 CA1 C1 177.62 30.0 3
   CRO Var_22 HG11 CG1 CB1 CA1 61.36 30.0 3
   CRO Var_23 HG12 CG1 CB1 CA1 -178.67 30.0 3
   CRO Var_24 HG13 CG1 CB1 CA1 -59.01 30.0 3
   CRO Var_25 HOG1 OG1 CB1 CA1 -68.64 30.0 3

loop_
  _chem_comp_chir.comp_id
  _chem_comp_chir.id
  _chem_comp_chir.atom_id_centre
  _chem_comp_chir.atom_id_1
  _chem_comp_chir.atom_id_2
  _chem_comp_chir.atom_id_3
  _chem_comp_chir.volume_sign
   CRO chir_01 CA1 CB1 N1 C1 positiv
   CRO chir_02 CB1 OG1 CA1 CG1 negativ

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   CRO plan-1 CA1 0.020
   CRO plan-1 C1 0.020
   CRO plan-1 N2 0.020
   CRO plan-1 N3 0.020
   CRO plan-1 C2 0.020
   CRO plan-1 O2 0.020
   CRO plan-1 CA2 0.020
   CRO plan-1 CA3 0.020
   CRO plan-1 CB2 0.020
   CRO plan-1 CG2 0.020
   CRO plan-1 HB2 0.020
   CRO plan-2 CB2 0.020
   CRO plan-2 CG2 0.020
   CRO plan-2 CD1 0.020
   CRO plan-2 CD2 0.020
   CRO plan-2 CE1 0.020
   CRO plan-2 CE2 0.020
   CRO plan-2 CZ 0.020
   CRO plan-2 OH 0.020
   CRO plan-2 HD1 0.020
   CRO plan-2 HD2 0.020
   CRO plan-2 HE1 0.020
   CRO plan-2 HE2 0.020
   CRO plan-3 CA3 0.020
   CRO plan-3 C3 0.020
   CRO plan-3 O3 0.020
   CRO plan-3 OXT 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   CRO plan-1
   CRO plan-2
   CRO plan-3

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
   CRO CRO '{2-[(1R,2R)-1-amino-2-hydroxypropyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid' L-peptide 39 23 .

data_comp_PGE
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.charge
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   PGE C1 C CH2 0 -0.182 17.8482 -19.2409 34.6269
   PGE O1 O OH1 0 -0.668 16.6767 -20.0194 34.5324
   PGE C2 C CH2 0 -0.164 18.6948 -19.7407 35.7705
   PGE O2 O O2 0 -0.487 18.0336 -19.4879 36.9883
   PGE C3 C CH2 0 -0.198 18.8041 -19.6718 38.1505
   PGE C4 C CH2 0 -0.154 18.7231 -21.0642 38.7361
   PGE O4 O OH1 0 -0.669 19.9646 -25.5194 37.8806
   PGE C6 C CH2 0 -0.181 19.9995 -24.2056 37.3724
   PGE C5 C CH2 0 -0.154 19.3113 -23.3069 38.3809
   PGE O3 O O2 0 -0.485 19.3803 -21.9872 37.9053
   PGE H1 H HCH2 0 0.197 18.4569 -19.3067 33.7156
   PGE H12 H HCH2 0 0.196 17.6210 -18.1778 34.7808
   PGE HO1 H HOH1 0 0.451 16.1357 -19.6624 33.8229
   PGE H2 H HCH2 0 0.206 18.9072 -20.8071 35.6322
   PGE H22 H HCH2 0 0.201 19.6583 -19.2143 35.7331
   PGE H3 H HCH2 0 0.205 19.8552 -19.4033 37.9779
   PGE H32 H HCH2 0 0.234 18.4194 -18.9788 38.9040
   PGE H4 H HCH2 0 0.200 19.1851 -21.0409 39.7342
   PGE H42 H HCH2 0 0.202 17.6706 -21.3469 38.8811
   PGE HO4 H HOH1 0 0.455 20.2647 -26.1175 37.1911
   PGE H6 H HCH2 0 0.195 21.0286 -23.8546 37.2190
   PGE H62 H HCH2 0 0.201 19.4838 -24.1253 36.4073
   PGE H5 H HCH2 0 0.201 18.2676 -23.6256 38.5141
   PGE H52 H HCH2 0 0.200 19.8031 -23.3980 39.3604

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   PGE C1 O1 single 1.410 0.020 1.410
   PGE C1 C2 single 1.508 0.020 1.508
   PGE C1 H1 single 0.970 0.020 1.090
   PGE C1 H12 single 0.970 0.020 1.090
   PGE O1 HO1 single 0.850 0.020 0.980
   PGE C2 O2 single 1.409 0.020 1.409
   PGE C2 H2 single 0.970 0.020 1.090
   PGE C2 H22 single 0.970 0.020 1.090
   PGE O2 C3 single 1.406 0.020 1.406
   PGE C3 C4 single 1.513 0.020 1.513
   PGE C3 H3 single 0.970 0.020 1.090
   PGE C3 H32 single 0.970 0.020 1.090
   PGE C4 O3 single 1.405 0.020 1.405
   PGE C4 H4 single 0.970 0.020 1.090
   PGE C4 H42 single 0.970 0.020 1.090
   PGE O4 C6 single 1.409 0.020 1.409
   PGE O4 HO4 single 0.850 0.020 0.980
   PGE C6 C5 single 1.516 0.020 1.516
   PGE C6 H6 single 0.970 0.020 1.090
   PGE C6 H62 single 0.970 0.020 1.090
   PGE C5 O3 single 1.404 0.020 1.404
   PGE C5 H5 single 0.970 0.020 1.090
   PGE C5 H52 single 0.970 0.020 1.090

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   PGE H12 C1 H1 106.80 3.000
   PGE H12 C1 C2 109.32 3.000
   PGE H1 C1 C2 107.36 3.000
   PGE H12 C1 O1 111.85 3.000
   PGE H1 C1 O1 111.84 3.000
   PGE C2 C1 O1 109.53 3.000
   PGE HO1 O1 C1 108.19 3.000
   PGE H22 C2 H2 106.97 3.000
   PGE H22 C2 O2 110.80 3.000
   PGE H2 C2 O2 112.00 3.000
   PGE H22 C2 C1 107.93 3.000
   PGE H2 C2 C1 109.61 3.000
   PGE O2 C2 C1 109.43 3.000
   PGE C3 O2 C2 115.71 3.000
   PGE H32 C3 H3 106.85 3.000
   PGE H32 C3 C4 107.32 3.000
   PGE H3 C3 C4 109.70 3.000
   PGE H32 C3 O2 107.08 3.000
   PGE H3 C3 O2 111.25 3.000
   PGE C4 C3 O2 114.26 3.000
   PGE H42 C4 H4 106.72 3.000
   PGE H42 C4 O3 110.91 3.000
   PGE H4 C4 O3 110.73 3.000
   PGE H42 C4 C3 109.82 3.000
   PGE H4 C4 C3 108.01 3.000
   PGE O3 C4 C3 110.53 3.000
   PGE HO4 O4 C6 108.29 3.000
   PGE H62 C6 H6 107.11 3.000
   PGE H62 C6 C5 109.18 3.000
   PGE H6 C6 C5 109.20 3.000
   PGE H62 C6 O4 111.95 3.000
   PGE H6 C6 O4 111.81 3.000
   PGE C5 C6 O4 107.55 3.000
   PGE H52 C5 H5 107.01 3.000
   PGE H52 C5 O3 110.95 3.000
   PGE H5 C5 O3 111.10 3.000
   PGE H52 C5 C6 109.90 3.000
   PGE H5 C5 C6 109.86 3.000
   PGE O3 C5 C6 108.03 3.000
   PGE C5 O3 C4 113.21 3.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   PGE Var_01 O2 C2 C1 O1 -67.22 30.0 3
   PGE Var_02 C4 C3 O2 C2 -91.15 30.0 3
   PGE Var_03 O3 C4 C3 O2 70.10 30.0 3
   PGE Var_04 C6 C5 O3 C4 177.55 30.0 1
   PGE Var_05 O3 C5 C6 O4 178.04 30.0 3
   PGE Var_06 C3 O2 C2 C1 -168.68 30.0 3
   PGE Var_07 C5 O3 C4 C3 -178.54 30.0 3
   PGE Var_08 HO1 O1 C1 C2 177.69 30.0 3
   PGE Var_09 HO4 O4 C6 C5 170.76 30.0 3

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
   PGE PGE 2,2'-[ethane-1,2-diylbis(oxy)]diethanol ligand 24 10 .

data_comp_PEG
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.charge
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   PEG C1 C CH2 0 -0.185 -2.3244 -0.0640 -0.5563
   PEG O1 O OH1 0 -0.673 -2.6555 -0.7826 0.6104
   PEG C2 C CH2 0 -0.158 -1.1440 0.8311 -0.2814
   PEG O2 O O2 0 -0.487 -0.0047 0.0587 0.0010
   PEG C3 C CH2 0 -0.159 1.1259 0.8492 0.2687
   PEG C4 C CH2 0 -0.185 2.3162 -0.0264 0.5624
   PEG O4 O OH1 0 -0.672 2.6615 -0.7571 -0.5923
   PEG H11 H HCH2 0 0.198 -2.0874 -0.7344 -1.3932
   PEG H12 H HCH2 0 0.204 -3.1487 0.5789 -0.8893
   PEG HO1 H HOH1 0 0.455 -3.4653 -1.2710 0.4388
   PEG H21 H HCH2 0 0.203 -0.9812 1.4636 -1.1658
   PEG H22 H HCH2 0 0.200 -1.3741 1.5093 0.5538
   PEG H31 H HCH2 0 0.200 1.3498 1.5129 -0.5799
   PEG H32 H HCH2 0 0.203 0.9545 1.4986 1.1390
   PEG H41 H HCH2 0 0.203 3.1308 0.6323 0.8891
   PEG H42 H HCH2 0 0.199 2.0844 -0.6872 1.4083
   PEG HO4 H HOH1 0 0.455 3.4600 -1.2566 -0.4012

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   PEG C1 O1 single 1.410 0.020 1.410
   PEG C1 C2 single 1.507 0.020 1.507
   PEG C1 H11 single 0.970 0.020 1.090
   PEG C1 H12 single 0.970 0.020 1.090
   PEG O1 HO1 single 0.850 0.020 0.980
   PEG C2 O2 single 1.405 0.020 1.405
   PEG C2 H21 single 0.970 0.020 1.090
   PEG C2 H22 single 0.970 0.020 1.090
   PEG O2 C3 single 1.405 0.020 1.405
   PEG C3 C4 single 1.507 0.020 1.507
   PEG C3 H31 single 0.970 0.020 1.090
   PEG C3 H32 single 0.970 0.020 1.090
   PEG C4 O4 single 1.409 0.020 1.409
   PEG C4 H41 single 0.970 0.020 1.090
   PEG C4 H42 single 0.970 0.020 1.090
   PEG O4 HO4 single 0.850 0.020 0.980

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   PEG H12 C1 H11 106.77 3.000
   PEG H12 C1 C2 107.21 3.000
   PEG H11 C1 C2 109.43 3.000
   PEG H12 C1 O1 111.93 3.000
   PEG H11 C1 O1 111.72 3.000
   PEG C2 C1 O1 109.63 3.000
   PEG HO1 O1 C1 108.02 3.000
   PEG H22 C2 H21 106.67 3.000
   PEG H22 C2 O2 110.84 3.000
   PEG H21 C2 O2 110.97 3.000
   PEG H22 C2 C1 109.93 3.000
   PEG H21 C2 C1 108.12 3.000
   PEG O2 C2 C1 110.21 3.000
   PEG C3 O2 C2 112.42 3.000
   PEG H32 C3 H31 106.62 3.000
   PEG H32 C3 C4 108.19 3.000
   PEG H31 C3 C4 109.88 3.000
   PEG H32 C3 O2 110.96 3.000
   PEG H31 C3 O2 110.86 3.000
   PEG C4 C3 O2 110.23 3.000
   PEG H42 C4 H41 106.77 3.000
   PEG H42 C4 O4 111.77 3.000
   PEG H41 C4 O4 111.92 3.000
   PEG H42 C4 C3 109.45 3.000
   PEG H41 C4 C3 107.19 3.000
   PEG O4 C4 C3 109.58 3.000
   PEG HO4 O4 C4 108.07 3.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   PEG Var_01 O2 C2 C1 O1 65.10 30.0 3
   PEG Var_02 C4 C3 O2 C2 -179.92 30.0 3
   PEG Var_03 O4 C4 C3 O2 65.50 30.0 3
   PEG Var_04 C3 O2 C2 C1 -179.84 30.0 3
   PEG Var_05 HO1 O1 C1 C2 173.91 30.0 3
   PEG Var_06 HO4 O4 C4 C3 175.83 30.0 3

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
   PEG PEG '2,2'-oxydiethanol        ' ligand 17 7 .

