data_2dg4_qFit
_cell.length_a                    44.486
_cell.length_b                    49.097
_cell.length_c                    51.740
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      113006.846
_space_group.crystal_system       orthorhombic
_space_group.IT_number            19
_space_group.name_H-M_alt         'P 21 21 21'
_space_group.name_Hall            ' P 2ac 2ab'
_symmetry.space_group_name_H-M    'P 21 21 21'
_symmetry.space_group_name_Hall   ' P 2ac 2ab'
_symmetry.Int_Tables_number       19
_reflns.B_iso_Wilson_estimate     14.76
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              20.35
_refine.ls_d_res_high             1.70
_refine.pdbx_ls_sigma_F           1.40
_refine.ls_percent_reflns_obs     95.65
_refine.ls_number_reflns_obs      12329
_refine.ls_number_reflns_R_work   11084
_refine.ls_number_reflns_R_free   1245
_refine.ls_R_factor_obs           0.1604
_refine.ls_R_factor_R_work        0.1558
_refine.ls_R_factor_R_free        0.2031
_refine.ls_percent_reflns_R_free  10.10
_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             0.1796
_refine.pdbx_overall_phase_error  16.9816
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                18.38
_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+1/2,-y+1/2,-z
   3 -x,y+1/2,-z+1/2
   4 -x+1/2,-y,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 1018 0.0268 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1391 1.9654 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 151 0.1166 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 184 0.0148 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 475 13.4587 ? ?

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' 3.54 20.35 1230 0.1590 88.95 0.2004 138
   'X-RAY DIFFRACTION' 2.81 3.54 1225 0.1445 93.69 0.1928 140
   'X-RAY DIFFRACTION' 2.46 2.81 1218 0.1514 95.22 0.2010 136
   'X-RAY DIFFRACTION' 2.23 2.46 1235 0.1579 96.63 0.2206 142
   'X-RAY DIFFRACTION' 2.07 2.23 1241 0.1571 96.77 0.1894 138
   'X-RAY DIFFRACTION' 1.95 2.07 1247 0.1534 98.29 0.1973 135
   'X-RAY DIFFRACTION' 1.85 1.95 1243 0.1453 98.37 0.1785 144
   'X-RAY DIFFRACTION' 1.77 1.85 1269 0.1660 98.38 0.2443 131
   'X-RAY DIFFRACTION' 1.70 1.77 1176 0.2003 95.23 0.2549 141

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

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.
;
 .
   H . . 0.51345 0.48472 . . 24.73122 6.32584 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   GOL
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PHE
   PRO
   RAP
   SER
   THR
   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 1 ? 15.02939 -2.58472 4.96956 1.000 19.76215 N ? A ? 1 N 1
   ATOM 2 CA . GLY A 1 ? 14.53266 -1.46504 5.86365 1.000 14.73452 C ? A ? 1 CA 1
   ATOM 3 C . GLY A 1 ? 13.18352 -1.70698 6.40818 1.000 13.29602 C ? A ? 1 C 1
   ATOM 4 O . GLY A 1 ? 12.94752 -1.42529 7.62302 1.000 12.75095 O ? A ? 1 O 1
   ATOM 5 H1 . GLY A 1 ? 15.42377 -2.23782 4.25107 1.000 23.76326 H ? A ? 1 H1 1
   ATOM 6 H2 . GLY A 1 ? 15.61447 -3.08426 5.41703 1.000 23.76326 H ? A ? 1 H2 1
   ATOM 7 H3 . GLY A 1 ? 14.34142 -3.08915 4.71589 1.000 23.76326 H ? A ? 1 H3 1
   ATOM 8 HA2 . GLY A 1 ? 15.14444 -1.35926 6.60892 1.000 17.73010 H ? A ? 1 HA2 1
   ATOM 9 HA3 . GLY A 1 ? 14.50918 -0.63960 5.35474 1.000 17.73010 H ? A ? 1 HA3 1
   ATOM 10 N . VAL A 2 ? 12.28690 -2.18689 5.55502 1.000 10.85921 N ? A ? 2 N 1
   ATOM 11 CA . VAL A 2 ? 10.98845 -2.63196 5.96343 1.000 10.04432 C ? A ? 2 CA 1
   ATOM 12 C . VAL A 2 ? 10.69906 -3.97631 5.29697 1.000 11.65763 C ? A ? 2 C 1
   ATOM 13 O . VAL A 2 ? 10.93495 -4.13435 4.07085 1.000 12.29860 O ? A ? 2 O 1
   ATOM 14 CB . VAL A 2 ? 9.84798 -1.65045 5.70234 1.000 10.23027 C ? A ? 2 CB 1
   ATOM 15 CG1 . VAL A 2 ? 9.65052 -1.17113 4.30139 1.000 11.25253 C ? A ? 2 CG1 1
   ATOM 16 CG2 . VAL A 2 ? 8.62867 -2.31424 6.16619 1.000 9.58802 C ? A ? 2 CG2 1
   ATOM 17 H . VAL A 2 ? 12.42448 -2.26172 4.70940 1.000 13.07972 H ? A ? 2 H 1
   ATOM 18 HA . VAL A 2 ? 11.02681 -2.74831 6.92566 1.000 12.10186 H ? A ? 2 HA 1
   ATOM 19 HB . VAL A 2 ? 10.07177 -0.83246 6.17320 1.000 12.32500 H ? A ? 2 HB 1
   ATOM 20 HG11 . VAL A 2 ? 8.86699 -0.60014 4.27046 1.000 13.55171 H ? A ? 2 HG11 1
   ATOM 21 HG12 . VAL A 2 ? 10.43483 -0.67179 4.02496 1.000 13.55171 H ? A ? 2 HG12 1
   ATOM 22 HG13 . VAL A 2 ? 9.52449 -1.93747 3.72023 1.000 13.55171 H ? A ? 2 HG13 1
   ATOM 23 HG21 . VAL A 2 ? 7.92368 -1.65387 6.25456 1.000 11.55430 H ? A ? 2 HG21 1
   ATOM 24 HG22 . VAL A 2 ? 8.37062 -2.98896 5.51884 1.000 11.55430 H ? A ? 2 HG22 1
   ATOM 25 HG23 . VAL A 2 ? 8.80249 -2.72952 7.02539 1.000 11.55430 H ? A ? 2 HG23 1
   ATOM 26 N . GLN A 3 ? 10.29663 -4.93989 6.13011 1.000 10.81717 N ? A ? 3 N 1
   ATOM 27 CA . GLN A 3 ? 9.85152 -6.28107 5.69938 1.000 11.39978 C ? A ? 3 CA 1
   ATOM 28 C . GLN A 3 ? 8.33569 -6.33987 5.73188 1.000 12.36054 C ? A ? 3 C 1
   ATOM 29 O . GLN A 3 ? 7.71372 -5.86920 6.69871 1.000 11.73610 O ? A ? 3 O 1
   ATOM 30 CB . GLN A 3 ? 10.43769 -7.38005 6.59927 1.000 14.87054 C ? A ? 3 CB 1
   ATOM 31 CG . GLN A 3 ? 10.00804 -8.80389 6.13790 1.000 18.24852 C ? A ? 3 CG 1
   ATOM 32 CD . GLN A 3 ? 10.43293 -9.88705 7.07754 1.000 25.07234 C ? A ? 3 CD 1
   ATOM 33 OE1 . GLN A 3 ? 10.95955 -9.61487 8.16670 1.000 25.70539 O ? A ? 3 OE1 1
   ATOM 34 NE2 . GLN A 3 ? 10.15489 -11.14763 6.68357 1.000 30.92856 N ? A ? 3 NE2 1
   ATOM 35 H . GLN A 3 ? 10.26949 -4.84238 6.98413 1.000 13.02928 H ? A ? 3 H 1
   ATOM 36 HA . GLN A 3 ? 10.15388 -6.44207 4.79188 1.000 13.72841 H ? A ? 3 HA 1
   ATOM 37 HB2 . GLN A 3 ? 11.40607 -7.33144 6.57158 1.000 17.89332 H ? A ? 3 HB2 1
   ATOM 38 HB3 . GLN A 3 ? 10.12474 -7.24818 7.50788 1.000 17.89332 H ? A ? 3 HB3 1
   ATOM 39 HG2 . GLN A 3 ? 9.04090 -8.83266 6.06927 1.000 21.94690 H ? A ? 3 HG2 1
   ATOM 40 HG3 . GLN A 3 ? 10.40760 -8.98711 5.27322 1.000 21.94690 H ? A ? 3 HG3 1
   ATOM 41 HE21 . GLN A 3 ? 9.75735 -11.28595 5.93361 1.000 37.16295 H ? A ? 3 HE21 1
   ATOM 42 HE22 . GLN A 3 ? 10.37526 -11.81255 7.18248 1.000 37.16295 H ? A ? 3 HE22 1
   ATOM 43 N A VAL A 4 ? 7.72712 -6.87027 4.67797 0.515 11.90122 N ? A ? 4 N 1
   ATOM 44 CA A VAL A 4 ? 6.27029 -6.85341 4.55827 0.515 11.06627 C ? A ? 4 CA 1
   ATOM 45 C A VAL A 4 ? 5.79784 -8.28498 4.40743 0.515 12.10992 C ? A ? 4 C 1
   ATOM 46 O A VAL A 4 ? 6.12561 -8.93015 3.39410 0.515 12.78666 O ? A ? 4 O 1
   ATOM 47 CB A VAL A 4 ? 5.79548 -6.01851 3.36321 0.515 11.49659 C ? A ? 4 CB 1
   ATOM 48 CG1 A VAL A 4 ? 4.30716 -6.10630 3.23568 0.515 11.77782 C ? A ? 4 CG1 1
   ATOM 49 CG2 A VAL A 4 ? 6.27413 -4.55230 3.47178 0.515 11.61555 C ? A ? 4 CG2 1
   ATOM 50 H A VAL A 4 ? 8.13442 -7.24523 4.01986 0.515 14.33014 H ? A ? 4 H 1
   ATOM 51 HA A VAL A 4 ? 5.89624 -6.47718 5.37032 0.515 13.32819 H ? A ? 4 HA 1
   ATOM 52 HB A VAL A 4 ? 6.18856 -6.37798 2.55255 0.515 13.84458 H ? A ? 4 HB 1
   ATOM 53 HG11 A VAL A 4 ? 4.00692 -5.45305 2.58450 0.515 14.18206 H ? A ? 4 HG11 1
   ATOM 54 HG12 A VAL A 4 ? 4.06742 -6.99946 2.94295 0.515 14.18206 H ? A ? 4 HG12 1
   ATOM 55 HG13 A VAL A 4 ? 3.90482 -5.92196 4.09883 0.515 14.18206 H ? A ? 4 HG13 1
   ATOM 56 HG21 A VAL A 4 ? 5.84179 -4.02694 2.78042 0.515 13.98733 H ? A ? 4 HG21 1
   ATOM 57 HG22 A VAL A 4 ? 6.03723 -4.20672 4.34662 0.515 13.98733 H ? A ? 4 HG22 1
   ATOM 58 HG23 A VAL A 4 ? 7.23666 -4.52484 3.35482 0.515 13.98733 H ? A ? 4 HG23 1
   ATOM 59 N B VAL A 4 ? 7.73144 -6.81785 4.65620 0.485 11.89142 N ? A ? 4 N 1
   ATOM 60 CA B VAL A 4 ? 6.27847 -6.87346 4.55471 0.485 11.03018 C ? A ? 4 CA 1
   ATOM 61 C B VAL A 4 ? 5.91813 -8.34593 4.49978 0.485 12.34439 C ? A ? 4 C 1
   ATOM 62 O B VAL A 4 ? 6.53207 -9.10156 3.72581 0.485 12.62347 O ? A ? 4 O 1
   ATOM 63 CB B VAL A 4 ? 5.75345 -6.11444 3.32457 0.485 11.57026 C ? A ? 4 CB 1
   ATOM 64 CG1 B VAL A 4 ? 4.25810 -6.34915 3.14247 0.485 11.95964 C ? A ? 4 CG1 1
   ATOM 65 CG2 B VAL A 4 ? 6.05925 -4.60957 3.42669 0.485 11.62868 C ? A ? 4 CG2 1
   ATOM 66 H B VAL A 4 ? 8.14417 -7.11917 3.96450 0.485 14.31838 H ? A ? 4 H 1
   ATOM 67 HA B VAL A 4 ? 5.86361 -6.46657 5.33138 0.485 13.28489 H ? A ? 4 HA 1
   ATOM 68 HB B VAL A 4 ? 6.21069 -6.45541 2.53999 0.485 13.93299 H ? A ? 4 HB 1
   ATOM 69 HG11 B VAL A 4 ? 3.91937 -5.72773 2.47914 0.485 14.40024 H ? A ? 4 HG11 1
   ATOM 70 HG12 B VAL A 4 ? 4.11556 -7.26119 2.84453 0.485 14.40024 H ? A ? 4 HG12 1
   ATOM 71 HG13 B VAL A 4 ? 3.81012 -6.20438 3.99056 0.485 14.40024 H ? A ? 4 HG13 1
   ATOM 72 HG21 B VAL A 4 ? 5.64945 -4.15237 2.67573 0.485 14.00309 H ? A ? 4 HG21 1
   ATOM 73 HG22 B VAL A 4 ? 5.69608 -4.26930 4.25929 0.485 14.00309 H ? A ? 4 HG22 1
   ATOM 74 HG23 B VAL A 4 ? 7.02046 -4.48065 3.40791 0.485 14.00309 H ? A ? 4 HG23 1
   ATOM 75 N . GLU A 5 ? 5.02413 -8.77213 5.39656 1.000 10.89633 N ? A ? 5 N 1
   ATOM 76 CA . GLU A 5 ? 4.52524 -10.15058 5.41017 1.000 12.51231 C ? A ? 5 CA 1
   ATOM 77 C . GLU A 5 ? 3.00973 -10.10724 5.32439 1.000 11.23578 C ? A ? 5 C 1
   ATOM 78 O . GLU A 5 ? 2.36709 -9.52576 6.16641 1.000 11.62584 O ? A ? 5 O 1
   ATOM 79 CB . GLU A 5 ? 4.98902 -10.93351 6.65517 1.000 11.53782 C ? A ? 5 CB 1
   ATOM 80 CG . GLU A 5 ? 6.47945 -11.08946 6.68940 1.000 13.07807 C ? A ? 5 CG 1
   ATOM 81 CD . GLU A 5 ? 6.89096 -11.66734 8.02143 1.000 16.88864 C ? A ? 5 CD 1
   ATOM 82 OE1 . GLU A 5 ? 6.87908 -12.92426 8.18898 1.000 18.52946 O ? A ? 5 OE1 1
   ATOM 83 OE2 . GLU A 5 ? 7.15680 -10.88496 8.99147 1.000 17.09544 O ? A ? 5 OE2 1
   ATOM 84 HA . GLU A 5 ? 4.87197 -10.62126 4.63612 1.000 15.06344 H ? A ? 5 HA 1
   ATOM 85 HB2 . GLU A 5 ? 4.71418 -10.45615 7.45360 1.000 13.89406 H ? A ? 5 HB2 1
   ATOM 86 HB3 . GLU A 5 ? 4.59032 -11.81771 6.64352 1.000 13.89406 H ? A ? 5 HB3 1
   ATOM 87 HG2 . GLU A 5 ? 6.76364 -11.69182 5.98420 1.000 15.74236 H ? A ? 5 HG2 1
   ATOM 88 HG3 . GLU A 5 ? 6.90357 -10.22428 6.57764 1.000 15.74236 H ? A ? 5 HG3 1
   ATOM 89 H A GLU A 5 ? 4.77445 -8.31114 6.07828 0.515 13.12427 H ? A ? 5 H 1
   ATOM 90 H B GLU A 5 ? 4.68857 -8.27559 6.01336 0.485 13.12427 H ? A ? 5 H 1
   ATOM 91 N . THR A 6 ? 2.43114 -10.68073 4.27108 1.000 12.40338 N ? A ? 6 N 1
   ATOM 92 CA . THR A 6 ? 0.97883 -10.54641 4.05091 1.000 11.39858 C ? A ? 6 CA 1
   ATOM 93 C . THR A 6 ? 0.16776 -11.28623 5.09318 1.000 12.83124 C ? A ? 6 C 1
   ATOM 94 O . THR A 6 ? 0.51168 -12.43032 5.49987 1.000 14.65369 O ? A ? 6 O 1
   ATOM 95 CB . THR A 6 ? 0.64258 -10.98137 2.61434 1.000 14.04226 C ? A ? 6 CB 1
   ATOM 96 OG1 . THR A 6 ? 1.31491 -10.00578 1.77177 1.000 14.54168 O ? A ? 6 OG1 1
   ATOM 97 CG2 . THR A 6 ? -0.84929 -10.98422 2.41613 1.000 14.71078 C ? A ? 6 CG2 1
   ATOM 98 H . THR A 6 ? 2.84305 -11.14561 3.67625 1.000 14.93272 H ? A ? 6 H 1
   ATOM 99 HA . THR A 6 ? 0.71869 -9.61734 4.15120 1.000 13.72697 H ? A ? 6 HA 1
   ATOM 100 HB . THR A 6 ? 0.93011 -11.88064 2.39177 1.000 16.89938 H ? A ? 6 HB 1
   ATOM 101 HG1 . THR A 6 ? 1.18595 -10.18812 0.96200 1.000 17.49869 H ? A ? 6 HG1 1
   ATOM 102 HG21 . THR A 6 ? -1.06217 -11.23270 1.50298 1.000 17.70161 H ? A ? 6 HG21 1
   ATOM 103 HG22 . THR A 6 ? -1.26300 -11.62056 3.02013 1.000 17.70161 H ? A ? 6 HG22 1
   ATOM 104 HG23 . THR A 6 ? -1.20931 -10.10128 2.59419 1.000 17.70161 H ? A ? 6 HG23 1
   ATOM 105 N A ILE A 7 ? -0.86228 -10.61256 5.59333 0.408 11.66269 N ? A ? 7 N 1
   ATOM 106 CA A ILE A 7 ? -1.88542 -11.19043 6.47402 0.408 11.66517 C ? A ? 7 CA 1
   ATOM 107 C A ILE A 7 ? -3.11350 -11.56424 5.65362 0.408 12.28529 C ? A ? 7 C 1
   ATOM 108 O A ILE A 7 ? -3.67013 -12.64541 5.83339 0.408 11.93525 O ? A ? 7 O 1
   ATOM 109 CB A ILE A 7 ? -2.23912 -10.19136 7.60733 0.408 11.82554 C ? A ? 7 CB 1
   ATOM 110 CG1 A ILE A 7 ? -1.05658 -9.97781 8.54112 0.408 10.61837 C ? A ? 7 CG1 1
   ATOM 111 CG2 A ILE A 7 ? -3.48795 -10.56461 8.38798 0.408 11.87023 C ? A ? 7 CG2 1
   ATOM 112 CD1 A ILE A 7 ? -1.27074 -8.82811 9.53784 0.408 11.01981 C ? A ? 7 CD1 1
   ATOM 113 H A ILE A 7 ? -1.00128 -9.77929 5.43230 0.408 14.04391 H ? A ? 7 H 1
   ATOM 114 HA A ILE A 7 ? -1.54060 -11.99181 6.89803 0.408 14.04687 H ? A ? 7 HA 1
   ATOM 115 HB A ILE A 7 ? -2.44214 -9.35467 7.16053 0.408 14.23933 H ? A ? 7 HB 1
   ATOM 116 HG12 A ILE A 7 ? -0.90799 -10.79002 9.05017 0.408 12.79071 H ? A ? 7 HG12 1
   ATOM 117 HG13 A ILE A 7 ? -0.27136 -9.77034 8.01076 0.408 12.79071 H ? A ? 7 HG13 1
   ATOM 118 HG21 A ILE A 7 ? -3.55152 -9.99726 9.17219 0.408 14.29294 H ? A ? 7 HG21 1
   ATOM 119 HG22 A ILE A 7 ? -4.26485 -10.43472 7.82189 0.408 14.29294 H ? A ? 7 HG22 1
   ATOM 120 HG23 A ILE A 7 ? -3.42623 -11.49461 8.65667 0.408 14.29294 H ? A ? 7 HG23 1
   ATOM 121 HD11 A ILE A 7 ? -0.42001 -8.59970 9.94402 0.408 13.27245 H ? A ? 7 HD11 1
   ATOM 122 HD12 A ILE A 7 ? -1.62723 -8.06095 9.06319 0.408 13.27245 H ? A ? 7 HD12 1
   ATOM 123 HD13 A ILE A 7 ? -1.89702 -9.11480 10.22083 0.408 13.27245 H ? A ? 7 HD13 1
   ATOM 124 N B ILE A 7 ? -0.86837 -10.61966 5.59104 0.592 11.44993 N ? A ? 7 N 1
   ATOM 125 CA B ILE A 7 ? -1.88434 -11.20394 6.48342 0.592 11.61259 C ? A ? 7 CA 1
   ATOM 126 C B ILE A 7 ? -3.10986 -11.57514 5.66021 0.592 12.14985 C ? A ? 7 C 1
   ATOM 127 O B ILE A 7 ? -3.64789 -12.66695 5.82207 0.592 11.48746 O ? A ? 7 O 1
   ATOM 128 CB B ILE A 7 ? -2.23707 -10.20957 7.62231 0.592 11.84615 C ? A ? 7 CB 1
   ATOM 129 CG1 B ILE A 7 ? -1.04994 -9.96620 8.53131 0.592 10.54068 C ? A ? 7 CG1 1
   ATOM 130 CG2 B ILE A 7 ? -3.45578 -10.58177 8.43751 0.592 11.86871 C ? A ? 7 CG2 1
   ATOM 131 CD1 B ILE A 7 ? -1.28490 -8.80715 9.52759 0.592 10.85618 C ? A ? 7 CD1 1
   ATOM 132 H B ILE A 7 ? -1.01768 -9.78954 5.42310 0.592 13.78859 H ? A ? 7 H 1
   ATOM 133 HA B ILE A 7 ? -1.53606 -12.00226 6.91036 0.592 13.98378 H ? A ? 7 HA 1
   ATOM 134 HB B ILE A 7 ? -2.46787 -9.38852 7.16025 0.592 14.26406 H ? A ? 7 HB 1
   ATOM 135 HG12 B ILE A 7 ? -0.87451 -10.77109 9.04343 0.592 12.69750 H ? A ? 7 HG12 1
   ATOM 136 HG13 B ILE A 7 ? -0.27749 -9.74334 7.98858 0.592 12.69750 H ? A ? 7 HG13 1
   ATOM 137 HG21 B ILE A 7 ? -3.52465 -9.98014 9.19526 0.592 14.29113 H ? A ? 7 HG21 1
   ATOM 138 HG22 B ILE A 7 ? -4.24522 -10.50259 7.87946 0.592 14.29113 H ? A ? 7 HG22 1
   ATOM 139 HG23 B ILE A 7 ? -3.36074 -11.49569 8.74834 0.592 14.29113 H ? A ? 7 HG23 1
   ATOM 140 HD11 B ILE A 7 ? -0.43991 -8.56921 9.94023 0.592 13.07609 H ? A ? 7 HD11 1
   ATOM 141 HD12 B ILE A 7 ? -1.64429 -8.04528 9.04665 0.592 13.07609 H ? A ? 7 HD12 1
   ATOM 142 HD13 B ILE A 7 ? -1.91447 -9.09683 10.20629 0.592 13.07609 H ? A ? 7 HD13 1
   ATOM 143 N A SER A 8 ? -3.53361 -10.66836 4.74488 0.408 11.56813 N ? A ? 8 N 1
   ATOM 144 CA A SER A 8 ? -4.64408 -10.91530 3.81586 0.408 11.99076 C ? A ? 8 CA 1
   ATOM 145 C A SER A 8 ? -4.16301 -10.33990 2.48476 0.408 12.87408 C ? A ? 8 C 1
   ATOM 146 O A SER A 8 ? -3.68217 -9.18571 2.44506 0.408 11.73691 O ? A ? 8 O 1
   ATOM 147 CB A SER A 8 ? -5.97862 -10.27647 4.24604 0.408 12.77645 C ? A ? 8 CB 1
   ATOM 148 OG A SER A 8 ? -6.35298 -10.65517 5.59010 0.408 13.47842 O ? A ? 8 OG 1
   ATOM 149 H A SER A 8 ? -3.18034 -9.89046 4.64649 0.408 13.93044 H ? A ? 8 H 1
   ATOM 150 HA A SER A 8 ? -4.82328 -11.86668 3.75526 0.408 14.43759 H ? A ? 8 HA 1
   ATOM 151 HB2 A SER A 8 ? -5.88771 -9.31145 4.20878 0.408 15.38042 H ? A ? 8 HB2 1
   ATOM 152 HB3 A SER A 8 ? -6.67393 -10.56800 3.63575 0.408 15.38042 H ? A ? 8 HB3 1
   ATOM 153 HG A SER A 8 ? -5.70561 -10.53811 6.11242 0.408 16.22278 H ? A ? 8 HG 1
   ATOM 154 N B SER A 8 ? -3.54450 -10.66656 4.77345 0.592 11.52696 N ? A ? 8 N 1
   ATOM 155 CA B SER A 8 ? -4.58124 -10.96128 3.79110 0.592 11.94084 C ? A ? 8 CA 1
   ATOM 156 C B SER A 8 ? -4.11162 -10.35871 2.47985 0.592 12.84978 C ? A ? 8 C 1
   ATOM 157 O B SER A 8 ? -3.62829 -9.21170 2.44577 0.592 11.51739 O ? A ? 8 O 1
   ATOM 158 CB B SER A 8 ? -5.97447 -10.43165 4.15218 0.592 12.78283 C ? A ? 8 CB 1
   ATOM 159 OG B SER A 8 ? -6.61548 -11.38832 4.97953 0.592 14.20426 O ? A ? 8 OG 1
   ATOM 160 H B SER A 8 ? -3.24489 -9.86182 4.72626 0.592 13.88102 H ? A ? 8 H 1
   ATOM 161 HA B SER A 8 ? -4.68839 -11.92231 3.71475 0.592 14.37768 H ? A ? 8 HA 1
   ATOM 162 HB2 B SER A 8 ? -5.88973 -9.59210 4.63059 0.592 15.38807 H ? A ? 8 HB2 1
   ATOM 163 HB3 B SER A 8 ? -6.49311 -10.30145 3.34289 0.592 15.38807 H ? A ? 8 HB3 1
   ATOM 164 HG B SER A 8 ? -6.19876 -11.46622 5.70471 0.592 17.09379 H ? A ? 8 HG 1
   ATOM 165 N . PRO A 9 ? -4.28109 -11.06695 1.37175 1.000 12.67433 N ? A ? 9 N 1
   ATOM 166 CA . PRO A 9 ? -3.93620 -10.46540 0.07773 1.000 13.02727 C ? A ? 9 CA 1
   ATOM 167 C . PRO A 9 ? -4.85777 -9.32596 -0.33812 1.000 13.01847 C ? A ? 9 C 1
   ATOM 168 O . PRO A 9 ? -6.05551 -9.23894 -0.01046 1.000 15.73560 O ? A ? 9 O 1
   ATOM 169 CB . PRO A 9 ? -4.01261 -11.66208 -0.91149 1.000 14.26659 C ? A ? 9 CB 1
   ATOM 170 CG . PRO A 9 ? -4.87618 -12.63118 -0.25447 1.000 13.18295 C ? A ? 9 CG 1
   ATOM 171 CD . PRO A 9 ? -4.70584 -12.48354 1.24943 1.000 13.06418 C ? A ? 9 CD 1
   ATOM 172 HA . PRO A 9 ? -3.03068 -10.11942 0.11271 1.000 15.68139 H ? A ? 9 HA 1
   ATOM 173 HB2 . PRO A 9 ? -4.39419 -11.37106 -1.75446 1.000 17.16858 H ? A ? 9 HB2 1
   ATOM 174 HB3 . PRO A 9 ? -3.12630 -12.02827 -1.05735 1.000 17.16858 H ? A ? 9 HB3 1
   ATOM 175 HG2 . PRO A 9 ? -5.79674 -12.45635 -0.50526 1.000 15.86821 H ? A ? 9 HG2 1
   ATOM 176 HG3 . PRO A 9 ? -4.62012 -13.52413 -0.53371 1.000 15.86821 H ? A ? 9 HG3 1
   ATOM 177 HD2 . PRO A 9 ? -5.54289 -12.63984 1.71400 1.000 15.72569 H ? A ? 9 HD2 1
   ATOM 178 HD3 . PRO A 9 ? -4.02265 -13.08457 1.58547 1.000 15.72569 H ? A ? 9 HD3 1
   ATOM 179 N . GLY A 10 ? -4.23606 -8.36396 -1.03783 1.000 14.36526 N ? A ? 10 N 1
   ATOM 180 CA . GLY A 10 ? -4.94459 -7.36875 -1.78091 1.000 13.57082 C ? A ? 10 CA 1
   ATOM 181 C . GLY A 10 ? -5.38681 -7.87918 -3.16409 1.000 15.27000 C ? A ? 10 C 1
   ATOM 182 O . GLY A 10 ? -5.34564 -9.09128 -3.46419 1.000 14.54310 O ? A ? 10 O 1
   ATOM 183 H . GLY A 10 ? -3.38129 -8.28237 -1.08577 1.000 17.28698 H ? A ? 10 H 1
   ATOM 184 HA2 . GLY A 10 ? -5.73478 -7.10010 -1.28663 1.000 16.33366 H ? A ? 10 HA2 1
   ATOM 185 HA3 . GLY A 10 ? -4.37352 -6.59508 -1.90820 1.000 16.33366 H ? A ? 10 HA3 1
   ATOM 186 N . ASP A 11 ? -5.83521 -6.90747 -4.02026 1.000 14.56416 N ? A ? 11 N 1
   ATOM 187 CA . ASP A 11 ? -6.21182 -7.31599 -5.37844 1.000 17.15387 C ? A ? 11 CA 1
   ATOM 188 C . ASP A 11 ? -5.02319 -7.56390 -6.27584 1.000 19.75415 C ? A ? 11 C 1
   ATOM 189 O . ASP A 11 ? -5.19669 -8.16295 -7.35365 1.000 17.38618 O ? A ? 11 O 1
   ATOM 190 CB . ASP A 11 ? -7.18418 -6.29210 -6.00070 1.000 22.20580 C ? A ? 11 CB 1
   ATOM 191 CG . ASP A 11 ? -6.55873 -4.96953 -6.35701 1.000 20.36603 C ? A ? 11 CG 1
   ATOM 192 OD1 . ASP A 11 ? -5.29663 -4.84279 -6.22930 1.000 14.95101 O ? A ? 11 OD1 1
   ATOM 193 OD2 . ASP A 11 ? -7.31560 -4.09777 -6.87356 1.000 20.95125 O ? A ? 11 OD2 1
   ATOM 194 H . ASP A 11 ? -5.91801 -6.07158 -3.83577 1.000 17.52567 H ? A ? 11 H 1
   ATOM 195 HA . ASP A 11 ? -6.69669 -8.15467 -5.32934 1.000 20.63332 H ? A ? 11 HA 1
   ATOM 196 HB2 . ASP A 11 ? -7.55150 -6.67021 -6.81495 1.000 26.69563 H ? A ? 11 HB2 1
   ATOM 197 HB3 . ASP A 11 ? -7.89618 -6.11678 -5.36570 1.000 26.69563 H ? A ? 11 HB3 1
   ATOM 198 N . GLY A 12 ? -3.78104 -7.30466 -5.78154 1.000 15.81701 N ? A ? 12 N 1
   ATOM 199 CA . GLY A 12 ? -2.65930 -7.64933 -6.56641 1.000 17.32622 C ? A ? 12 CA 1
   ATOM 200 C . GLY A 12 ? -2.43397 -6.72409 -7.74203 1.000 18.20614 C ? A ? 12 C 1
   ATOM 201 O . GLY A 12 ? -1.50761 -6.99621 -8.52684 1.000 18.62985 O ? A ? 12 O 1
   ATOM 202 H . GLY A 12 ? -3.60997 -6.94308 -5.02023 1.000 19.02908 H ? A ? 12 H 1
   ATOM 203 HA2 . GLY A 12 ? -1.86564 -7.62693 -6.00918 1.000 20.84014 H ? A ? 12 HA2 1
   ATOM 204 HA3 . GLY A 12 ? -2.77890 -8.54866 -6.90964 1.000 20.84014 H ? A ? 12 HA3 1
   ATOM 205 N . ARG A 13 ? -3.24601 -5.64966 -7.89596 1.000 18.23971 N ? A ? 13 N 1
   ATOM 206 CA . ARG A 13 ? -3.28168 -4.81237 -9.08619 1.000 20.49633 C ? A ? 13 CA 1
   ATOM 207 C . ARG A 13 ? -3.25669 -3.34071 -8.79205 1.000 19.58547 C ? A ? 13 C 1
   ATOM 208 O . ARG A 13 ? -2.61070 -2.54432 -9.54536 1.000 20.32277 O ? A ? 13 O 1
   ATOM 209 CB . ARG A 13 ? -4.56496 -5.13944 -9.88176 1.000 25.55595 C ? A ? 13 CB 1
   ATOM 210 CG . ARG A 13 ? -4.50763 -6.29352 -10.72064 1.000 32.04900 C ? A ? 13 CG 1
   ATOM 211 CD . ARG A 13 ? -5.83726 -6.42928 -11.50767 1.000 46.99583 C ? A ? 13 CD 1
   ATOM 212 NE . ARG A 13 ? -6.98991 -6.61333 -10.63288 1.000 45.66859 N ? A ? 13 NE 1
   ATOM 213 CZ . ARG A 13 ? -7.45747 -7.79969 -10.25553 1.000 53.02124 C ? A ? 13 CZ 1
   ATOM 214 NH1 . ARG A 13 ? -6.88454 -8.93147 -10.65870 1.000 57.78687 N ? A ? 13 NH1 1
   ATOM 215 NH2 . ARG A 13 ? -8.53891 -7.85253 -9.47697 1.000 58.10070 N ? A ? 13 NH2 1
   ATOM 216 H . ARG A 13 ? -3.80092 -5.38800 -7.29329 1.000 21.93632 H ? A ? 13 H 1
   ATOM 217 HA . ARG A 13 ? -2.49897 -5.00693 -9.62508 1.000 24.64427 H ? A ? 13 HA 1
   ATOM 218 HB2 . ARG A 13 ? -5.28563 -5.28184 -9.24831 1.000 30.71581 H ? A ? 13 HB2 1
   ATOM 219 HB3 . ARG A 13 ? -4.76909 -4.38150 -10.45164 1.000 30.71581 H ? A ? 13 HB3 1
   ATOM 220 HG2 . ARG A 13 ? -3.77733 -6.20447 -11.35280 1.000 38.50747 H ? A ? 13 HG2 1
   ATOM 221 HG3 . ARG A 13 ? -4.38217 -7.08806 -10.17856 1.000 38.50747 H ? A ? 13 HG3 1
   ATOM 222 HD2 . ARG A 13 ? -5.98094 -5.62367 -12.02849 1.000 56.44367 H ? A ? 13 HD2 1
   ATOM 223 HD3 . ARG A 13 ? -5.78039 -7.19869 -12.09561 1.000 56.44367 H ? A ? 13 HD3 1
   ATOM 224 HE . ARG A 13 ? -7.39227 -5.91070 -10.34303 1.000 54.85098 H ? A ? 13 HE 1
   ATOM 225 HH11 . ARG A 13 ? -6.19680 -8.90533 -11.17439 1.000 69.39291 H ? A ? 13 HH11 1
   ATOM 226 HH12 . ARG A 13 ? -7.20211 -9.68885 -10.40351 1.000 69.39291 H ? A ? 13 HH12 1
   ATOM 227 HH21 . ARG A 13 ? -8.92392 -7.12567 -9.22590 1.000 69.76951 H ? A ? 13 HH21 1
   ATOM 228 HH22 . ARG A 13 ? -8.85129 -8.61346 -9.22596 1.000 69.76951 H ? A ? 13 HH22 1
   ATOM 229 N . THR A 14 ? -3.92169 -2.90632 -7.72023 1.000 17.93614 N ? A ? 14 N 1
   ATOM 230 CA . THR A 14 ? -4.16410 -1.49149 -7.50190 1.000 16.60627 C ? A ? 14 CA 1
   ATOM 231 C . THR A 14 ? -3.23843 -0.99722 -6.41537 1.000 16.63763 C ? A ? 14 C 1
   ATOM 232 O . THR A 14 ? -3.50937 -1.21426 -5.22942 1.000 15.29029 O ? A ? 14 O 1
   ATOM 233 CB . THR A 14 ? -5.61090 -1.21593 -7.11816 1.000 21.16417 C ? A ? 14 CB 1
   ATOM 234 OG1 . THR A 14 ? -6.42776 -1.85970 -8.09403 1.000 21.07188 O ? A ? 14 OG1 1
   ATOM 235 CG2 . THR A 14 ? -5.87235 0.18059 -7.18952 1.000 22.25148 C ? A ? 14 CG2 1
   ATOM 236 H . THR A 14 ? -4.24058 -3.41855 -7.10742 1.000 21.57204 H ? A ? 14 H 1
   ATOM 237 HA . THR A 14 ? -3.96289 -1.03043 -8.33126 1.000 19.97620 H ? A ? 14 HA 1
   ATOM 238 HB . THR A 14 ? -5.79988 -1.52916 -6.21979 1.000 25.44568 H ? A ? 14 HB 1
   ATOM 239 HG1 . THR A 14 ? -7.23843 -1.70562 -7.93697 1.000 25.33493 H ? A ? 14 HG1 1
   ATOM 240 HG21 . THR A 14 ? -6.79940 0.35646 -6.96471 1.000 26.75045 H ? A ? 14 HG21 1
   ATOM 241 HG22 . THR A 14 ? -5.30151 0.65723 -6.56674 1.000 26.75045 H ? A ? 14 HG22 1
   ATOM 242 HG23 . THR A 14 ? -5.69906 0.50512 -8.08705 1.000 26.75045 H ? A ? 14 HG23 1
   ATOM 243 N . PHE A 15 ? -2.14117 -0.37891 -6.80586 1.000 14.33876 N ? A ? 15 N 1
   ATOM 244 CA . PHE A 15 ? -1.15538 0.07693 -5.86380 1.000 13.51527 C ? A ? 15 CA 1
   ATOM 245 C . PHE A 15 ? -1.18214 1.58944 -5.73818 1.000 15.35878 C ? A ? 15 C 1
   ATOM 246 O . PHE A 15 ? -1.61264 2.28464 -6.67154 1.000 15.93188 O ? A ? 15 O 1
   ATOM 247 CB . PHE A 15 ? 0.22434 -0.33952 -6.30699 1.000 13.85184 C ? A ? 15 CB 1
   ATOM 248 CG . PHE A 15 ? 0.42001 -1.82883 -6.25450 1.000 11.13768 C ? A ? 15 CG 1
   ATOM 249 CD1 . PHE A 15 ? 0.09202 -2.62226 -7.29216 1.000 12.38323 C ? A ? 15 CD1 1
   ATOM 250 CD2 . PHE A 15 ? 1.07378 -2.46268 -5.16320 1.000 11.26353 C ? A ? 15 CD2 1
   ATOM 251 CE1 . PHE A 15 ? 0.39646 -3.95139 -7.24962 1.000 12.74901 C ? A ? 15 CE1 1
   ATOM 252 CE2 . PHE A 15 ? 1.22696 -3.81226 -5.11046 1.000 11.63345 C ? A ? 15 CE2 1
   ATOM 253 CZ . PHE A 15 ? 0.82104 -4.59229 -6.11297 1.000 12.09218 C ? A ? 15 CZ 1
   ATOM 254 H . PHE A 15 ? -1.94731 -0.21171 -7.62687 1.000 17.25519 H ? A ? 15 H 1
   ATOM 255 HA . PHE A 15 ? -1.34149 -0.31311 -4.99539 1.000 16.26700 H ? A ? 15 HA 1
   ATOM 256 HB2 . PHE A 15 ? 0.36428 -0.04917 -7.22187 1.000 16.67088 H ? A ? 15 HB2 1
   ATOM 257 HB3 . PHE A 15 ? 0.88180 0.07161 -5.72421 1.000 16.67088 H ? A ? 15 HB3 1
   ATOM 258 HD1 . PHE A 15 ? -0.34011 -2.26563 -8.03444 1.000 14.90855 H ? A ? 15 HD1 1
   ATOM 259 HD2 . PHE A 15 ? 1.40493 -1.94116 -4.46804 1.000 13.56491 H ? A ? 15 HD2 1
   ATOM 260 HE1 . PHE A 15 ? 0.31191 -4.44859 -8.03100 1.000 15.34748 H ? A ? 15 HE1 1
   ATOM 261 HE2 . PHE A 15 ? 1.62176 -4.19837 -4.36216 1.000 14.00882 H ? A ? 15 HE2 1
   ATOM 262 HZ . PHE A 15 ? 0.82546 -5.51983 -6.04548 1.000 14.55929 H ? A ? 15 HZ 1
   ATOM 263 N . PRO A 16 ? -0.66790 2.13332 -4.65427 1.000 14.62492 N ? A ? 16 N 1
   ATOM 264 CA . PRO A 16 ? -0.62994 3.61298 -4.51746 1.000 17.24286 C ? A ? 16 CA 1
   ATOM 265 C . PRO A 16 ? 0.26186 4.28705 -5.55129 1.000 18.30253 C ? A ? 16 C 1
   ATOM 266 O . PRO A 16 ? 1.29700 3.75674 -5.96369 1.000 14.98710 O ? A ? 16 O 1
   ATOM 267 CB . PRO A 16 ? -0.08306 3.83341 -3.09203 1.000 16.56940 C ? A ? 16 CB 1
   ATOM 268 CG . PRO A 16 ? -0.41344 2.54702 -2.34430 1.000 13.59040 C ? A ? 16 CG 1
   ATOM 269 CD . PRO A 16 ? -0.23373 1.48965 -3.39030 1.000 13.29155 C ? A ? 16 CD 1
   ATOM 270 HA . PRO A 16 ? -1.53090 3.96327 -4.59781 1.000 20.74011 H ? A ? 16 HA 1
   ATOM 271 HB2 . PRO A 16 ? 0.87518 3.98053 -3.12439 1.000 19.93195 H ? A ? 16 HB2 1
   ATOM 272 HB3 . PRO A 16 ? -0.52214 4.59573 -2.68343 1.000 19.93195 H ? A ? 16 HB3 1
   ATOM 273 HG2 . PRO A 16 ? 0.19980 2.41938 -1.60366 1.000 16.35716 H ? A ? 16 HG2 1
   ATOM 274 HG3 . PRO A 16 ? -1.32681 2.57032 -2.01853 1.000 16.35716 H ? A ? 16 HG3 1
   ATOM 275 HD2 . PRO A 16 ? 0.69703 1.22251 -3.44716 1.000 15.99853 H ? A ? 16 HD2 1
   ATOM 276 HD3 . PRO A 16 ? -0.78868 0.71886 -3.19330 1.000 15.99853 H ? A ? 16 HD3 1
   ATOM 277 N . LYS A 17 ? -0.23932 5.41224 -6.06865 1.000 22.47571 N ? A ? 17 N 1
   ATOM 278 CA . LYS A 17 ? 0.50770 6.24476 -6.99959 1.000 23.79563 C ? A ? 17 CA 1
   ATOM 279 C . LYS A 17 ? 1.20932 7.33538 -6.23223 1.000 25.51923 C ? A ? 17 C 1
   ATOM 280 O . LYS A 17 ? 0.70188 7.77876 -5.21835 1.000 24.27378 O ? A ? 17 O 1
   ATOM 281 CB . LYS A 17 ? -0.43565 6.93201 -8.00846 1.000 28.02664 C ? A ? 17 CB 1
   ATOM 282 CG . LYS A 17 ? -1.56511 6.01837 -8.57680 1.000 34.94426 C ? A ? 17 CG 1
   ATOM 283 CD . LYS A 17 ? -2.62770 6.85161 -9.34015 1.000 45.98326 C ? A ? 17 CD 1
   ATOM 284 CE . LYS A 17 ? -3.29140 6.05284 -10.46510 1.000 56.54222 C ? A ? 17 CE 1
   ATOM 285 NZ . LYS A 17 ? -4.64738 6.60452 -10.80442 1.000 62.78385 N ? A ? 17 NZ 1
   ATOM 286 H . LYS A 17 ? -1.02409 5.71461 -5.88891 1.000 27.01952 H ? A ? 17 H 1
   ATOM 287 HA . LYS A 17 ? 1.14252 5.69010 -7.47943 1.000 28.60344 H ? A ? 17 HA 1
   ATOM 288 HB2 . LYS A 17 ? -0.86253 7.68336 -7.56784 1.000 33.68065 H ? A ? 17 HB2 1
   ATOM 289 HB3 . LYS A 17 ? 0.09239 7.24434 -8.75981 1.000 33.68065 H ? A ? 17 HB3 1
   ATOM 290 HG2 . LYS A 17 ? -1.18047 5.37477 -9.19221 1.000 41.98179 H ? A ? 17 HG2 1
   ATOM 291 HG3 . LYS A 17 ? -2.00502 5.55662 -7.84593 1.000 41.98179 H ? A ? 17 HG3 1
   ATOM 292 HD2 . LYS A 17 ? -3.31916 7.13102 -8.71990 1.000 55.22859 H ? A ? 17 HD2 1
   ATOM 293 HD3 . LYS A 17 ? -2.20080 7.62889 -9.73321 1.000 55.22859 H ? A ? 17 HD3 1
   ATOM 294 HE2 . LYS A 17 ? -2.73688 6.09543 -11.25984 1.000 67.89934 H ? A ? 17 HE2 1
   ATOM 295 HE3 . LYS A 17 ? -3.39856 5.13056 -10.18436 1.000 67.89934 H ? A ? 17 HE3 1
   ATOM 296 HZ1 . LYS A 17 ? -5.00643 6.13981 -11.47318 1.000 75.38929 H ? A ? 17 HZ1 1
   ATOM 297 HZ2 . LYS A 17 ? -5.18336 6.55210 -10.09585 1.000 75.38929 H ? A ? 17 HZ2 1
   ATOM 298 HZ3 . LYS A 17 ? -4.57637 7.45688 -11.05044 1.000 75.38929 H ? A ? 17 HZ3 1
   ATOM 299 N . ARG A 18 ? 2.20021 7.94942 -6.86893 1.000 27.83053 N ? A ? 18 N 1
   ATOM 300 CA . ARG A 18 ? 2.85796 9.13664 -6.31778 1.000 29.78210 C ? A ? 18 CA 1
   ATOM 301 C . ARG A 18 ? 1.81999 10.19108 -5.95679 1.000 26.00975 C ? A ? 18 C 1
   ATOM 302 O . ARG A 18 ? 0.93789 10.49752 -6.73575 1.000 24.25729 O ? A ? 18 O 1
   ATOM 303 CB . ARG A 18 ? 3.85102 9.69905 -7.36237 1.000 33.93680 C ? A ? 18 CB 1
   ATOM 304 CG . ARG A 18 ? 4.88331 8.63524 -7.83983 1.000 43.84151 C ? A ? 18 CG 1
   ATOM 305 CD . ARG A 18 ? 5.49189 8.93779 -9.26033 1.000 48.48276 C ? A ? 18 CD 1
   ATOM 306 NE . ARG A 18 ? 4.52416 8.74994 -10.35281 1.000 64.36663 N ? A ? 18 NE 1
   ATOM 307 CZ . ARG A 18 ? 3.74582 7.68100 -10.56666 1.000 61.02530 C ? A ? 18 CZ 1
   ATOM 308 NH1 . ARG A 18 ? 3.68427 6.65712 -9.71524 1.000 50.25974 N ? A ? 18 NH1 1
   ATOM 309 NH2 . ARG A 18 ? 2.97904 7.65410 -11.65558 1.000 64.73403 N ? A ? 18 NH2 1
   ATOM 310 H . ARG A 18 ? 2.51607 7.69934 -7.62872 1.000 33.44531 H ? A ? 18 H 1
   ATOM 311 HA . ARG A 18 ? 3.35072 8.90321 -5.51553 1.000 35.78719 H ? A ? 18 HA 1
   ATOM 312 HB2 . ARG A 18 ? 3.35482 10.00610 -8.13723 1.000 40.77283 H ? A ? 18 HB2 1
   ATOM 313 HB3 . ARG A 18 ? 4.34050 10.43772 -6.96780 1.000 40.77283 H ? A ? 18 HB3 1
   ATOM 314 HG2 . ARG A 18 ? 5.61604 8.60316 -7.20502 1.000 52.65848 H ? A ? 18 HG2 1
   ATOM 315 HG3 . ARG A 18 ? 4.44463 7.77123 -7.88408 1.000 52.65848 H ? A ? 18 HG3 1
   ATOM 316 HD2 . ARG A 18 ? 5.79400 9.85923 -9.28414 1.000 58.22799 H ? A ? 18 HD2 1
   ATOM 317 HD3 . ARG A 18 ? 6.23913 8.33950 -9.41713 1.000 58.22799 H ? A ? 18 HD3 1
   ATOM 318 HE . ARG A 18 ? 4.45030 9.39658 -10.91494 1.000 77.28863 H ? A ? 18 HE 1
   ATOM 319 HH11 . ARG A 18 ? 4.15581 6.66692 -8.99611 1.000 60.36036 H ? A ? 18 HH11 1
   ATOM 320 HH12 . ARG A 18 ? 3.17302 5.98677 -9.88510 1.000 60.36036 H ? A ? 18 HH12 1
   ATOM 321 HH21 . ARG A 18 ? 2.98990 8.31515 -12.20558 1.000 77.72951 H ? A ? 18 HH21 1
   ATOM 322 HH22 . ARG A 18 ? 2.47314 6.97568 -11.80860 1.000 77.72951 H ? A ? 18 HH22 1
   ATOM 323 N . GLY A 19 ? 1.88120 10.67476 -4.74205 1.000 26.54450 N ? A ? 19 N 1
   ATOM 324 CA . GLY A 19 ? 1.03315 11.71653 -4.35427 1.000 25.47655 C ? A ? 19 CA 1
   ATOM 325 C . GLY A 19 ? -0.34686 11.33613 -3.98309 1.000 25.77363 C ? A ? 19 C 1
   ATOM 326 O . GLY A 19 ? -1.09885 12.22231 -3.62788 1.000 25.81214 O ? A ? 19 O 1
   ATOM 327 H . GLY A 19 ? 2.41928 10.39955 -4.13022 1.000 31.90207 H ? A ? 19 H 1
   ATOM 328 HA2 . GLY A 19 ? 1.42718 12.16051 -3.58712 1.000 30.62054 H ? A ? 19 HA2 1
   ATOM 329 HA3 . GLY A 19 ? 0.97178 12.34836 -5.08771 1.000 30.62054 H ? A ? 19 HA3 1
   ATOM 330 N . GLN A 20 ? -0.70319 10.05274 -3.98987 1.000 24.58451 N ? A ? 20 N 1
   ATOM 331 CA . GLN A 20 ? -2.06303 9.67703 -3.63039 1.000 24.30502 C ? A ? 20 CA 1
   ATOM 332 C . GLN A 20 ? -2.26769 9.67229 -2.09800 1.000 21.89098 C ? A ? 20 C 1
   ATOM 333 O . GLN A 20 ? -1.35352 9.53054 -1.32025 1.000 21.86468 O ? A ? 20 O 1
   ATOM 334 CB . GLN A 20 ? -2.34600 8.29485 -4.18705 1.000 26.34185 C ? A ? 20 CB 1
   ATOM 335 CG . GLN A 20 ? -3.73274 8.02950 -4.64233 1.000 27.12232 C ? A ? 20 CG 1
   ATOM 336 CD . GLN A 20 ? -3.86287 6.90436 -5.58908 1.000 28.19472 C ? A ? 20 CD 1
   ATOM 337 OE1 . GLN A 20 ? -3.04051 6.03839 -5.66860 1.000 24.56482 O ? A ? 20 OE1 1
   ATOM 338 NE2 . GLN A 20 ? -4.94375 6.90958 -6.33460 1.000 41.75246 N ? A ? 20 NE2 1
   ATOM 339 H . GLN A 20 ? -0.18564 9.39718 -4.19475 1.000 29.55009 H ? A ? 20 H 1
   ATOM 340 HA . GLN A 20 ? -2.69122 10.31782 -3.99871 1.000 29.21470 H ? A ? 20 HA 1
   ATOM 341 HB2 . GLN A 20 ? -1.76522 8.15434 -4.95115 1.000 31.65890 H ? A ? 20 HB2 1
   ATOM 342 HB3 . GLN A 20 ? -2.14609 7.64569 -3.49457 1.000 31.65890 H ? A ? 20 HB3 1
   ATOM 343 HG2 . GLN A 20 ? -4.27858 7.82392 -3.86728 1.000 32.59546 H ? A ? 20 HG2 1
   ATOM 344 HG3 . GLN A 20 ? -4.07033 8.82409 -5.08453 1.000 32.59546 H ? A ? 20 HG3 1
   ATOM 345 HE21 . GLN A 20 ? -5.51991 7.54270 -6.25216 1.000 50.15163 H ? A ? 20 HE21 1
   ATOM 346 HE22 . GLN A 20 ? -5.07551 6.27989 -6.90532 1.000 50.15163 H ? A ? 20 HE22 1
   ATOM 347 N . THR A 21 ? -3.49116 9.87614 -1.69037 1.000 21.05854 N ? A ? 21 N 1
   ATOM 348 CA . THR A 21 ? -3.83505 9.77134 -0.29834 1.000 19.42322 C ? A ? 21 CA 1
   ATOM 349 C . THR A 21 ? -4.23773 8.32093 0.00149 1.000 17.75945 C ? A ? 21 C 1
   ATOM 350 O . THR A 21 ? -5.16512 7.75673 -0.60626 1.000 18.06790 O ? A ? 21 O 1
   ATOM 351 CB . THR A 21 ? -4.95529 10.71941 0.04071 1.000 20.88808 C ? A ? 21 CB 1
   ATOM 352 OG1 . THR A 21 ? -4.51628 12.06869 -0.19010 1.000 23.16447 O ? A ? 21 OG1 1
   ATOM 353 CG2 . THR A 21 ? -5.28473 10.61498 1.51333 1.000 18.59161 C ? A ? 21 CG2 1
   ATOM 354 H . THR A 21 ? -4.14908 10.07896 -2.20574 1.000 25.31892 H ? A ? 21 H 1
   ATOM 355 HA . THR A 21 ? -3.06905 10.00096 0.25067 1.000 23.35654 H ? A ? 21 HA 1
   ATOM 356 HB . THR A 21 ? -5.73333 10.50616 -0.49788 1.000 25.11438 H ? A ? 21 HB 1
   ATOM 357 HG1 . THR A 21 ? -5.13262 12.60751 -0.00196 1.000 27.84604 H ? A ? 21 HG1 1
   ATOM 358 HG21 . THR A 21 ? -5.87861 11.33683 1.77243 1.000 22.35860 H ? A ? 21 HG21 1
   ATOM 359 HG22 . THR A 21 ? -5.72026 9.76786 1.69660 1.000 22.35860 H ? A ? 21 HG22 1
   ATOM 360 HG23 . THR A 21 ? -4.47207 10.67155 2.03991 1.000 22.35860 H ? A ? 21 HG23 1
   ATOM 361 N A CYS A 22 ? -3.51638 7.73292 0.93613 0.672 16.37538 N ? A ? 22 N 1
   ATOM 362 CA A CYS A 22 ? -3.73873 6.35075 1.36611 0.672 15.55972 C ? A ? 22 CA 1
   ATOM 363 C A CYS A 22 ? -4.55276 6.35580 2.62865 0.672 14.29007 C ? A ? 22 C 1
   ATOM 364 O A CYS A 22 ? -4.22266 7.10428 3.54057 0.672 15.28828 O ? A ? 22 O 1
   ATOM 365 CB A CYS A 22 ? -2.40165 5.63055 1.63113 0.672 15.30135 C ? A ? 22 CB 1
   ATOM 366 SG A CYS A 22 ? -1.32635 5.70150 0.13925 0.672 14.93987 S ? A ? 22 SG 1
   ATOM 367 H A CYS A 22 ? -2.87102 8.11893 1.35338 0.672 19.69912 H ? A ? 22 H 1
   ATOM 368 HA A CYS A 22 ? -4.21785 5.87237 0.67149 0.672 18.72034 H ? A ? 22 HA 1
   ATOM 369 HB2 A CYS A 22 ? -1.94043 6.06306 2.36674 0.672 18.41029 H ? A ? 22 HB2 1
   ATOM 370 HB3 A CYS A 22 ? -2.57147 4.70028 1.84710 0.672 18.41029 H ? A ? 22 HB3 1
   ATOM 371 HG A CYS A 22 ? -0.27271 5.18590 0.39222 0.672 17.97652 H ? A ? 22 HG 1
   ATOM 372 N B CYS A 22 ? -3.51718 7.72494 0.93826 0.328 16.39106 N ? A ? 22 N 1
   ATOM 373 CA B CYS A 22 ? -3.75251 6.34651 1.35743 0.328 15.57321 C ? A ? 22 CA 1
   ATOM 374 C B CYS A 22 ? -4.54590 6.34095 2.64310 0.328 14.32086 C ? A ? 22 C 1
   ATOM 375 O B CYS A 22 ? -4.19101 7.05176 3.58329 0.328 15.29454 O ? A ? 22 O 1
   ATOM 376 CB B CYS A 22 ? -2.43127 5.59554 1.56219 0.328 15.31470 C ? A ? 22 CB 1
   ATOM 377 SG B CYS A 22 ? -1.53765 5.46610 0.01613 0.328 14.78715 S ? A ? 22 SG 1
   ATOM 378 H B CYS A 22 ? -2.86981 8.10500 1.35786 0.328 19.71795 H ? A ? 22 H 1
   ATOM 379 HA B CYS A 22 ? -4.26138 5.88790 0.67068 0.328 18.73653 H ? A ? 22 HA 1
   ATOM 380 HB2 B CYS A 22 ? -1.88029 6.07654 2.19935 0.328 18.42632 H ? A ? 22 HB2 1
   ATOM 381 HB3 B CYS A 22 ? -2.61410 4.70124 1.89035 0.328 18.42632 H ? A ? 22 HB3 1
   ATOM 382 HG B CYS A 22 ? -0.52018 4.85788 0.20271 0.328 17.79325 H ? A ? 22 HG 1
   ATOM 383 N . VAL A 23 ? -5.62186 5.55440 2.66988 1.000 14.11060 N ? A ? 23 N 1
   ATOM 384 CA . VAL A 23 ? -6.51767 5.37541 3.83463 1.000 14.56913 C ? A ? 23 CA 1
   ATOM 385 C . VAL A 23 ? -6.25148 3.98549 4.35418 1.000 13.59166 C ? A ? 23 C 1
   ATOM 386 O . VAL A 23 ? -6.54199 3.02589 3.66256 1.000 14.07029 O ? A ? 23 O 1
   ATOM 387 CB . VAL A 23 ? -8.00263 5.53997 3.47840 1.000 17.61665 C ? A ? 23 CB 1
   ATOM 388 CG1 . VAL A 23 ? -8.73242 5.56143 4.73391 1.000 18.31003 C ? A ? 23 CG1 1
   ATOM 389 CG2 . VAL A 23 ? -8.05399 6.83685 2.71417 1.000 17.67677 C ? A ? 23 CG2 1
   ATOM 390 HA . VAL A 23 ? -6.30765 6.03896 4.51028 1.000 17.53163 H ? A ? 23 HA 1
   ATOM 391 HB . VAL A 23 ? -8.40135 4.83903 2.93934 1.000 21.18866 H ? A ? 23 HB 1
   ATOM 392 HG11 . VAL A 23 ? -9.66341 5.76632 4.55456 1.000 22.02071 H ? A ? 23 HG11 1
   ATOM 393 HG12 . VAL A 23 ? -8.66064 4.69095 5.15582 1.000 22.02071 H ? A ? 23 HG12 1
   ATOM 394 HG13 . VAL A 23 ? -8.34926 6.24100 5.31033 1.000 22.02071 H ? A ? 23 HG13 1
   ATOM 395 HG21 . VAL A 23 ? -8.97665 7.12922 2.64992 1.000 21.26080 H ? A ? 23 HG21 1
   ATOM 396 HG22 . VAL A 23 ? -7.52825 7.50208 3.18531 1.000 21.26080 H ? A ? 23 HG22 1
   ATOM 397 HG23 . VAL A 23 ? -7.68938 6.69500 1.82656 1.000 21.26080 H ? A ? 23 HG23 1
   ATOM 398 H A VAL A 23 ? -5.86793 5.07404 2.00032 0.672 16.98139 H ? A ? 23 H 1
   ATOM 399 H B VAL A 23 ? -5.87362 5.08617 1.99387 0.328 16.98139 H ? A ? 23 H 1
   ATOM 400 N . VAL A 24 ? -5.73653 3.89836 5.56676 1.000 13.70113 N ? A ? 24 N 1
   ATOM 401 CA . VAL A 24 ? -5.32054 2.64592 6.19167 1.000 13.14639 C ? A ? 24 CA 1
   ATOM 402 C . VAL A 24 ? -5.87628 2.51488 7.59872 1.000 15.95153 C ? A ? 24 C 1
   ATOM 403 O . VAL A 24 ? -6.23710 3.47634 8.25068 1.000 14.58841 O ? A ? 24 O 1
   ATOM 404 CB . VAL A 24 ? -3.80004 2.54571 6.23563 1.000 10.71501 C ? A ? 24 CB 1
   ATOM 405 CG1 . VAL A 24 ? -3.19248 2.77629 4.84214 1.000 11.16378 C ? A ? 24 CG1 1
   ATOM 406 CG2 . VAL A 24 ? -3.21604 3.55724 7.20705 1.000 13.63283 C ? A ? 24 CG2 1
   ATOM 407 H . VAL A 24 ? -5.61010 4.58015 6.07547 1.000 16.49003 H ? A ? 24 H 1
   ATOM 408 HA . VAL A 24 ? -5.69953 1.91454 5.67947 1.000 15.82434 H ? A ? 24 HA 1
   ATOM 409 HB . VAL A 24 ? -3.57233 1.65178 6.53553 1.000 12.90668 H ? A ? 24 HB 1
   ATOM 410 HG11 . VAL A 24 ? -2.24156 2.58803 4.87713 1.000 13.44521 H ? A ? 24 HG11 1
   ATOM 411 HG12 . VAL A 24 ? -3.62397 2.18313 4.20741 1.000 13.44521 H ? A ? 24 HG12 1
   ATOM 412 HG13 . VAL A 24 ? -3.33754 3.69978 4.58325 1.000 13.44521 H ? A ? 24 HG13 1
   ATOM 413 HG21 . VAL A 24 ? -2.25566 3.60099 7.07801 1.000 16.40807 H ? A ? 24 HG21 1
   ATOM 414 HG22 . VAL A 24 ? -3.61277 4.42557 7.03525 1.000 16.40807 H ? A ? 24 HG22 1
   ATOM 415 HG23 . VAL A 24 ? -3.41550 3.27599 8.11370 1.000 16.40807 H ? A ? 24 HG23 1
   ATOM 416 N . HIS A 25 ? -5.98087 1.25087 8.07353 1.000 15.32941 N ? A ? 25 N 1
   ATOM 417 CA . HIS A 25 ? -6.07619 1.00044 9.51313 1.000 17.74433 C ? A ? 25 CA 1
   ATOM 418 C . HIS A 25 ? -4.76561 0.44661 10.01588 1.000 15.91783 C ? A ? 25 C 1
   ATOM 419 O . HIS A 25 ? -4.15678 -0.34160 9.31197 1.000 13.78771 O ? A ? 25 O 1
   ATOM 420 CB . HIS A 25 ? -7.11946 -0.05502 9.90648 1.000 20.00586 C ? A ? 25 CB 1
   ATOM 421 CG . HIS A 25 ? -8.37453 0.52753 10.47328 1.000 27.78341 C ? A ? 25 CG 1
   ATOM 422 ND1 . HIS A 25 ? -8.39388 1.24568 11.64997 1.000 30.11530 N ? A ? 25 ND1 1
   ATOM 423 CD2 . HIS A 25 ? -9.64560 0.58127 9.98163 1.000 30.73448 C ? A ? 25 CD2 1
   ATOM 424 CE1 . HIS A 25 ? -9.63347 1.66411 11.88717 1.000 39.07520 C ? A ? 25 CE1 1
   ATOM 425 NE2 . HIS A 25 ? -10.41300 1.26896 10.88915 1.000 37.36130 N ? A ? 25 NE2 1
   ATOM 426 H . HIS A 25 ? -5.99739 0.54469 7.58297 1.000 18.44397 H ? A ? 25 H 1
   ATOM 427 HA . HIS A 25 ? -6.31240 1.85166 9.91379 1.000 21.34187 H ? A ? 25 HA 1
   ATOM 428 HB2 . HIS A 25 ? -7.35927 -0.56663 9.11803 1.000 24.05571 H ? A ? 25 HB2 1
   ATOM 429 HB3 . HIS A 25 ? -6.73446 -0.64036 10.57735 1.000 24.05571 H ? A ? 25 HB3 1
   ATOM 430 HD1 . HIS A 25 ? -7.71206 1.39880 12.15125 1.000 36.18703 H ? A ? 25 HD1 1
   ATOM 431 HD2 . HIS A 25 ? -9.93931 0.21798 9.17748 1.000 36.93004 H ? A ? 25 HD2 1
   ATOM 432 HE1 . HIS A 25 ? -9.90829 2.15257 12.62931 1.000 46.93891 H ? A ? 25 HE1 1
   ATOM 433 N . TYR A 26 ? -4.29827 0.85266 11.18734 1.000 13.55544 N ? A ? 26 N 1
   ATOM 434 CA . TYR A 26 ? -3.02407 0.27989 11.67042 1.000 13.06464 C ? A ? 26 CA 1
   ATOM 435 C . TYR A 26 ? -3.07419 0.07839 13.17121 1.000 14.92539 C ? A ? 26 C 1
   ATOM 436 O . TYR A 26 ? -3.82814 0.72857 13.87905 1.000 15.28801 O ? A ? 26 O 1
   ATOM 437 CB . TYR A 26 ? -1.76645 1.14482 11.32884 1.000 12.16678 C ? A ? 26 CB 1
   ATOM 438 CG . TYR A 26 ? -1.72461 2.45058 12.03812 1.000 11.99265 C ? A ? 26 CG 1
   ATOM 439 CD1 . TYR A 26 ? -1.16228 2.52083 13.27426 1.000 11.44423 C ? A ? 26 CD1 1
   ATOM 440 CD2 . TYR A 26 ? -2.26028 3.60728 11.47795 1.000 13.07740 C ? A ? 26 CD2 1
   ATOM 441 CE1 . TYR A 26 ? -1.14130 3.71288 14.09391 1.000 11.39629 C ? A ? 26 CE1 1
   ATOM 442 CE2 . TYR A 26 ? -2.22296 4.79244 12.24254 1.000 13.14349 C ? A ? 26 CE2 1
   ATOM 443 CZ . TYR A 26 ? -1.61948 4.83710 13.52673 1.000 12.99052 C ? A ? 26 CZ 1
   ATOM 444 OH . TYR A 26 ? -1.64001 6.02815 14.24987 1.000 13.54152 O ? A ? 26 OH 1
   ATOM 445 H . TYR A 26 ? -4.67342 1.42926 11.70347 1.000 16.31520 H ? A ? 26 H 1
   ATOM 446 HA . TYR A 26 ? -2.92761 -0.57940 11.23085 1.000 15.72625 H ? A ? 26 HA 1
   ATOM 447 HB2 . TYR A 26 ? -0.97052 0.64846 11.57587 1.000 14.64881 H ? A ? 26 HB2 1
   ATOM 448 HB3 . TYR A 26 ? -1.76221 1.32567 10.37586 1.000 14.64881 H ? A ? 26 HB3 1
   ATOM 449 HD1 . TYR A 26 ? -0.76508 1.75212 13.61518 1.000 13.78176 H ? A ? 26 HD1 1
   ATOM 450 HD2 . TYR A 26 ? -2.63156 3.59891 10.62531 1.000 15.74155 H ? A ? 26 HD2 1
   ATOM 451 HE1 . TYR A 26 ? -0.81542 3.70341 14.96489 1.000 13.72422 H ? A ? 26 HE1 1
   ATOM 452 HE2 . TYR A 26 ? -2.60450 5.56629 11.89542 1.000 15.82086 H ? A ? 26 HE2 1
   ATOM 453 HH . TYR A 26 ? -1.00229 6.04347 14.79639 1.000 16.29849 H ? A ? 26 HH 1
   ATOM 454 N . THR A 27 ? -2.25849 -0.87264 13.62605 1.000 11.89129 N ? A ? 27 N 1
   ATOM 455 CA . THR A 27 ? -1.81244 -1.02568 14.97692 1.000 10.79727 C ? A ? 27 CA 1
   ATOM 456 C . THR A 27 ? -0.30177 -1.06871 15.00107 1.000 11.50187 C ? A ? 27 C 1
   ATOM 457 O . THR A 27 ? 0.31671 -1.72250 14.15704 1.000 11.18589 O ? A ? 27 O 1
   ATOM 458 CB . THR A 27 ? -2.35791 -2.34164 15.55196 1.000 13.97323 C ? A ? 27 CB 1
   ATOM 459 OG1 . THR A 27 ? -3.76286 -2.29326 15.46866 1.000 15.35375 O ? A ? 27 OG1 1
   ATOM 460 CG2 . THR A 27 ? -1.91586 -2.56169 16.99157 1.000 15.01029 C ? A ? 27 CG2 1
   ATOM 461 H . THR A 27 ? -1.93204 -1.48359 13.11638 1.000 14.31823 H ? A ? 27 H 1
   ATOM 462 HA . THR A 27 ? -2.10962 -0.27413 15.51334 1.000 13.00540 H ? A ? 27 HA 1
   ATOM 463 HB . THR A 27 ? -2.01278 -3.09613 15.04945 1.000 16.81655 H ? A ? 27 HB 1
   ATOM 464 HG1 . THR A 27 ? -3.99557 -1.85229 14.79265 1.000 18.47317 H ? A ? 27 HG1 1
   ATOM 465 HG21 . THR A 27 ? -2.39764 -3.31083 17.37573 1.000 18.06102 H ? A ? 27 HG21 1
   ATOM 466 HG22 . THR A 27 ? -0.96486 -2.75037 17.02144 1.000 18.06102 H ? A ? 27 HG22 1
   ATOM 467 HG23 . THR A 27 ? -2.09600 -1.76778 17.51897 1.000 18.06102 H ? A ? 27 HG23 1
   ATOM 468 N . GLY A 28 ? 0.29716 -0.32070 15.89765 1.000 10.47931 N ? A ? 28 N 1
   ATOM 469 CA . GLY A 28 ? 1.72762 -0.29936 16.04109 1.000 9.97944 C ? A ? 28 CA 1
   ATOM 470 C . GLY A 28 ? 2.21780 -0.79215 17.39626 1.000 11.84033 C ? A ? 28 C 1
   ATOM 471 O . GLY A 28 ? 1.65620 -0.45799 18.45090 1.000 11.89095 O ? A ? 28 O 1
   ATOM 472 H . GLY A 28 ? -0.11528 0.19580 16.44786 1.000 12.62384 H ? A ? 28 H 1
   ATOM 473 HA2 . GLY A 28 ? 2.12203 -0.86319 15.35740 1.000 12.02400 H ? A ? 28 HA2 1
   ATOM 474 HA3 . GLY A 28 ? 2.04349 0.60994 15.92148 1.000 12.02400 H ? A ? 28 HA3 1
   ATOM 475 N . MET A 29 ? 3.29525 -1.57526 17.39386 1.000 9.63230 N ? A ? 29 N 1
   ATOM 476 CA . MET A 29 ? 3.87620 -2.04776 18.63069 1.000 11.15837 C ? A ? 29 CA 1
   ATOM 477 C . MET A 29 ? 5.38875 -2.04740 18.53089 1.000 12.30961 C ? A ? 29 C 1
   ATOM 478 O . MET A 29 ? 5.97204 -2.17124 17.43341 1.000 11.76026 O ? A ? 29 O 1
   ATOM 479 CB . MET A 29 ? 3.40803 -3.44287 18.96944 1.000 14.32233 C ? A ? 29 CB 1
   ATOM 480 CG . MET A 29 ? 3.79414 -4.42590 18.10144 1.000 13.09618 C ? A ? 29 CG 1
   ATOM 481 SD . MET A 29 ? 3.09479 -6.08759 18.47670 1.000 20.19567 S ? A ? 29 SD 1
   ATOM 482 CE . MET A 29 ? 1.48866 -5.77357 18.70516 1.000 27.23136 C ? A ? 29 CE 1
   ATOM 483 H . MET A 29 ? 3.70192 -1.84209 16.68463 1.000 11.60744 H ? A ? 29 H 1
   ATOM 484 HA . MET A 29 ? 3.60663 -1.44559 19.34177 1.000 13.43872 H ? A ? 29 HA 1
   ATOM 485 HB2 . MET A 29 ? 3.75777 -3.67716 19.84333 1.000 17.23547 H ? A ? 29 HB2 1
   ATOM 486 HB3 . MET A 29 ? 2.43824 -3.44164 18.98964 1.000 17.23547 H ? A ? 29 HB3 1
   ATOM 487 HG2 . MET A 29 ? 3.50584 -4.18138 17.20814 1.000 15.76409 H ? A ? 29 HG2 1
   ATOM 488 HG3 . MET A 29 ? 4.76079 -4.50158 18.12900 1.000 15.76409 H ? A ? 29 HG3 1
   ATOM 489 HE1 . MET A 29 ? 0.99622 -6.60874 18.67528 1.000 32.72631 H ? A ? 29 HE1 1
   ATOM 490 HE2 . MET A 29 ? 1.36953 -5.35008 19.56967 1.000 32.72631 H ? A ? 29 HE2 1
   ATOM 491 HE3 . MET A 29 ? 1.17937 -5.18184 18.00153 1.000 32.72631 H ? A ? 29 HE3 1
   ATOM 492 N A LEU A 30 ? 6.04284 -1.93332 19.67393 0.293 11.96697 N ? A ? 30 N 1
   ATOM 493 CA A LEU A 30 ? 7.46132 -2.22380 19.72841 0.293 13.88616 C ? A ? 30 CA 1
   ATOM 494 C A LEU A 30 ? 7.64882 -3.72353 19.48537 0.293 15.80052 C ? A ? 30 C 1
   ATOM 495 O A LEU A 30 ? 6.79761 -4.53492 19.83038 0.293 14.98021 O ? A ? 30 O 1
   ATOM 496 CB A LEU A 30 ? 8.04038 -1.81337 21.07475 0.293 13.98841 C ? A ? 30 CB 1
   ATOM 497 CG A LEU A 30 ? 8.01173 -0.31962 21.40981 0.293 12.96739 C ? A ? 30 CG 1
   ATOM 498 CD1 A LEU A 30 ? 8.42276 -0.14615 22.89612 0.293 14.37605 C ? A ? 30 CD1 1
   ATOM 499 CD2 A LEU A 30 ? 8.94707 0.43940 20.55588 0.293 12.71122 C ? A ? 30 CD2 1
   ATOM 500 H A LEU A 30 ? 5.69267 -1.69273 20.42165 0.293 14.40904 H ? A ? 30 H 1
   ATOM 501 HA A LEU A 30 ? 7.95000 -1.72490 19.05522 0.293 16.71207 H ? A ? 30 HA 1
   ATOM 502 HB2 A LEU A 30 ? 7.53877 -2.26977 21.76828 0.293 16.83477 H ? A ? 30 HB2 1
   ATOM 503 HB3 A LEU A 30 ? 8.96912 -2.09221 21.09896 0.293 16.83477 H ? A ? 30 HB3 1
   ATOM 504 HG A LEU A 30 ? 7.12013 0.03000 21.25585 0.293 15.60955 H ? A ? 30 HG 1
   ATOM 505 HD11 A LEU A 30 ? 8.39005 0.79591 23.12493 0.293 17.29993 H ? A ? 30 HD11 1
   ATOM 506 HD12 A LEU A 30 ? 7.80533 -0.64384 23.45467 0.293 17.29993 H ? A ? 30 HD12 1
   ATOM 507 HD13 A LEU A 30 ? 9.32384 -0.48460 23.01616 0.293 17.29993 H ? A ? 30 HD13 1
   ATOM 508 HD21 A LEU A 30 ? 8.92680 1.37319 20.81764 0.293 15.30214 H ? A ? 30 HD21 1
   ATOM 509 HD22 A LEU A 30 ? 9.84150 0.08257 20.67235 0.293 15.30214 H ? A ? 30 HD22 1
   ATOM 510 HD23 A LEU A 30 ? 8.67306 0.34945 19.62975 0.293 15.30214 H ? A ? 30 HD23 1
   ATOM 511 N B LEU A 30 ? 6.02975 -1.96916 19.67354 0.707 11.91168 N ? A ? 30 N 1
   ATOM 512 CA B LEU A 30 ? 7.45026 -2.22401 19.73048 0.707 13.80224 C ? A ? 30 CA 1
   ATOM 513 C B LEU A 30 ? 7.66133 -3.73187 19.51915 0.707 15.79859 C ? A ? 30 C 1
   ATOM 514 O B LEU A 30 ? 6.83615 -4.54728 19.89386 0.707 14.92005 O ? A ? 30 O 1
   ATOM 515 CB B LEU A 30 ? 8.02511 -1.76193 21.06169 0.707 13.94779 C ? A ? 30 CB 1
   ATOM 516 CG B LEU A 30 ? 7.70887 -0.30389 21.42756 0.707 12.88727 C ? A ? 30 CG 1
   ATOM 517 CD1 B LEU A 30 ? 8.28849 -0.01425 22.82867 0.707 14.34765 C ? A ? 30 CD1 1
   ATOM 518 CD2 B LEU A 30 ? 8.23130 0.62888 20.45386 0.707 12.20685 C ? A ? 30 CD2 1
   ATOM 519 H B LEU A 30 ? 5.66848 -1.77122 20.42846 0.707 14.34269 H ? A ? 30 H 1
   ATOM 520 HA B LEU A 30 ? 7.93215 -1.73250 19.04703 0.707 16.61136 H ? A ? 30 HA 1
   ATOM 521 HB2 B LEU A 30 ? 7.66393 -2.32477 21.76431 0.707 16.78602 H ? A ? 30 HB2 1
   ATOM 522 HB3 B LEU A 30 ? 8.99030 -1.85220 21.02751 0.707 16.78602 H ? A ? 30 HB3 1
   ATOM 523 HG B LEU A 30 ? 6.74742 -0.17551 21.43397 0.707 15.51340 H ? A ? 30 HG 1
   ATOM 524 HD11 B LEU A 30 ? 8.06690 0.89601 23.08011 0.707 17.26585 H ? A ? 30 HD11 1
   ATOM 525 HD12 B LEU A 30 ? 7.90251 -0.63644 23.46491 0.707 17.26585 H ? A ? 30 HD12 1
   ATOM 526 HD13 B LEU A 30 ? 9.25180 -0.12456 22.80090 0.707 17.26585 H ? A ? 30 HD13 1
   ATOM 527 HD21 B LEU A 30 ? 8.09473 1.53298 20.77768 0.707 14.69689 H ? A ? 30 HD21 1
   ATOM 528 HD22 B LEU A 30 ? 9.17882 0.46071 20.33214 0.707 14.69689 H ? A ? 30 HD22 1
   ATOM 529 HD23 B LEU A 30 ? 7.76262 0.50407 19.61382 0.707 14.69689 H ? A ? 30 HD23 1
   ATOM 530 N . GLU A 31 ? 8.76680 -4.09013 18.86695 1.000 17.20937 N ? A ? 31 N 1
   ATOM 531 CA . GLU A 31 ? 8.93595 -5.48318 18.44110 1.000 18.60168 C ? A ? 31 CA 1
   ATOM 532 C . GLU A 31 ? 8.87542 -6.33680 19.69329 1.000 22.00626 C ? A ? 31 C 1
   ATOM 533 O . GLU A 31 ? 9.46691 -5.99193 20.67141 1.000 23.81040 O ? A ? 31 O 1
   ATOM 534 CB . GLU A 31 ? 10.27587 -5.73964 17.71578 1.000 20.35572 C ? A ? 31 CB 1
   ATOM 535 CG . GLU A 31 ? 10.34978 -7.17290 17.13305 1.000 25.49228 C ? A ? 31 CG 1
   ATOM 536 CD . GLU A 31 ? 11.62438 -7.38548 16.26059 1.000 32.03601 C ? A ? 31 CD 1
   ATOM 537 OE1 . GLU A 31 ? 12.74434 -6.89518 16.58286 1.000 26.79922 O ? A ? 31 OE1 1
   ATOM 538 OE2 . GLU A 31 ? 11.47424 -8.01612 15.19998 1.000 33.40836 O ? A ? 31 OE2 1
   ATOM 539 HA . GLU A 31 ? 8.24264 -5.70966 17.80163 1.000 22.37069 H ? A ? 31 HA 1
   ATOM 540 HB2 . GLU A 31 ? 10.36916 -5.10873 16.98492 1.000 24.47553 H ? A ? 31 HB2 1
   ATOM 541 HB3 . GLU A 31 ? 11.00581 -5.62884 18.34492 1.000 24.47553 H ? A ? 31 HB3 1
   ATOM 542 HG2 . GLU A 31 ? 10.37152 -7.81259 17.86190 1.000 30.63941 H ? A ? 31 HG2 1
   ATOM 543 HG3 . GLU A 31 ? 9.57161 -7.33102 16.57596 1.000 30.63941 H ? A ? 31 HG3 1
   ATOM 544 H A GLU A 31 ? 9.42662 -3.56940 18.68507 0.293 20.69992 H ? A ? 31 H 1
   ATOM 545 H B GLU A 31 ? 9.41570 -3.56365 18.66363 0.707 20.69992 H ? A ? 31 H 1
   ATOM 546 N . ASP A 32 ? 8.06722 -7.39133 19.66752 1.000 25.74139 N ? A ? 32 N 1
   ATOM 547 CA . ASP A 32 ? 7.80314 -8.26585 20.80999 1.000 28.40542 C ? A ? 32 CA 1
   ATOM 548 C . ASP A 32 ? 7.53832 -7.45556 22.08892 1.000 30.83388 C ? A ? 32 C 1
   ATOM 549 O . ASP A 32 ? 8.01902 -7.75678 23.19149 1.000 32.39975 O ? A ? 32 O 1
   ATOM 550 CB . ASP A 32 ? 8.92303 -9.27292 20.99631 1.000 33.54469 C ? A ? 32 CB 1
   ATOM 551 CG . ASP A 32 ? 9.10864 -10.14453 19.77902 1.000 42.21028 C ? A ? 32 CG 1
   ATOM 552 OD1 . ASP A 32 ? 8.05232 -10.69253 19.30779 1.000 34.26323 O ? A ? 32 OD1 1
   ATOM 553 OD2 . ASP A 32 ? 10.28280 -10.26766 19.29155 1.000 36.40203 O ? A ? 32 OD2 1
   ATOM 554 H . ASP A 32 ? 7.63674 -7.63545 18.96418 1.000 30.93834 H ? A ? 32 H 1
   ATOM 555 HA . ASP A 32 ? 6.99254 -8.76650 20.62783 1.000 34.13517 H ? A ? 32 HA 1
   ATOM 556 HB2 . ASP A 32 ? 9.75376 -8.79946 21.15949 1.000 40.30230 H ? A ? 32 HB2 1
   ATOM 557 HB3 . ASP A 32 ? 8.71422 -9.84614 21.75044 1.000 40.30230 H ? A ? 32 HB3 1
   ATOM 558 N . GLY A 33 ? 6.70222 -6.44016 21.94839 1.000 22.67037 N ? A ? 33 N 1
   ATOM 559 CA . GLY A 33 ? 6.50492 -5.62588 23.08214 1.000 22.65508 C ? A ? 33 CA 1
   ATOM 560 C . GLY A 33 ? 5.18332 -4.84468 23.06253 1.000 19.19611 C ? A ? 33 C 1
   ATOM 561 O . GLY A 33 ? 4.07786 -5.28175 22.72329 1.000 20.71634 O ? A ? 33 O 1
   ATOM 562 H . GLY A 33 ? 6.26957 -6.22998 21.23549 1.000 27.25312 H ? A ? 33 H 1
   ATOM 563 HA2 . GLY A 33 ? 6.51161 -6.18357 23.87576 1.000 27.23477 H ? A ? 33 HA2 1
   ATOM 564 HA3 . GLY A 33 ? 7.23089 -4.98520 23.14025 1.000 27.23477 H ? A ? 33 HA3 1
   ATOM 565 N . LYS A 34 ? 5.33266 -3.65005 23.55311 1.000 18.85720 N ? A ? 34 N 1
   ATOM 566 CA . LYS A 34 ? 4.21526 -2.84787 23.97575 1.000 18.02305 C ? A ? 34 CA 1
   ATOM 567 C . LYS A 34 ? 3.52213 -2.27027 22.74724 1.000 16.24503 C ? A ? 34 C 1
   ATOM 568 O . LYS A 34 ? 4.16794 -1.79128 21.81132 1.000 12.24916 O ? A ? 34 O 1
   ATOM 569 CB . LYS A 34 ? 4.71734 -1.73283 24.87808 1.000 19.58753 C ? A ? 34 CB 1
   ATOM 570 CG . LYS A 34 ? 3.62077 -0.97643 25.51739 1.000 26.20678 C ? A ? 34 CG 1
   ATOM 571 CD . LYS A 34 ? 4.00685 -0.32614 26.79435 1.000 32.02895 C ? A ? 34 CD 1
   ATOM 572 CE . LYS A 34 ? 3.21735 -0.81337 28.11770 1.000 51.21010 C ? A ? 34 CE 1
   ATOM 573 NZ . LYS A 34 ? 3.69495 -2.14370 28.68994 1.000 35.54693 N ? A ? 34 NZ 1
   ATOM 574 H . LYS A 34 ? 6.09365 -3.26323 23.65740 1.000 22.67732 H ? A ? 34 H 1
   ATOM 575 HA . LYS A 34 ? 3.56991 -3.37491 24.47238 1.000 21.67634 H ? A ? 34 HA 1
   ATOM 576 HB2 . LYS A 34 ? 5.26568 -2.11745 25.57971 1.000 23.55371 H ? A ? 34 HB2 1
   ATOM 577 HB3 . LYS A 34 ? 5.24240 -1.11156 24.34966 1.000 23.55371 H ? A ? 34 HB3 1
   ATOM 578 HG2 . LYS A 34 ? 3.32519 -0.28071 24.90952 1.000 31.49681 H ? A ? 34 HG2 1
   ATOM 579 HG3 . LYS A 34 ? 2.88946 -1.58524 25.70560 1.000 31.49681 H ? A ? 34 HG3 1
   ATOM 580 HD2 . LYS A 34 ? 4.94938 -0.49667 26.94748 1.000 38.48342 H ? A ? 34 HD2 1
   ATOM 581 HD3 . LYS A 34 ? 3.85217 0.62744 26.70677 1.000 38.48342 H ? A ? 34 HD3 1
   ATOM 582 HE2 . LYS A 34 ? 3.32883 -0.14187 28.80876 1.000 61.50079 H ? A ? 34 HE2 1
   ATOM 583 HE3 . LYS A 34 ? 2.27751 -0.91090 27.89841 1.000 61.50079 H ? A ? 34 HE3 1
   ATOM 584 HZ1 . LYS A 34 ? 3.20911 -2.36009 29.40355 1.000 42.70499 H ? A ? 34 HZ1 1
   ATOM 585 HZ2 . LYS A 34 ? 3.61206 -2.78529 28.07873 1.000 42.70499 H ? A ? 34 HZ2 1
   ATOM 586 HZ3 . LYS A 34 ? 4.54970 -2.08239 28.93024 1.000 42.70499 H ? A ? 34 HZ3 1
   ATOM 587 N . LYS A 35 ? 2.20311 -2.37241 22.72990 1.000 15.26745 N ? A ? 35 N 1
   ATOM 588 CA . LYS A 35 ? 1.44919 -1.72286 21.65005 1.000 14.80198 C ? A ? 35 CA 1
   ATOM 589 C . LYS A 35 ? 1.33807 -0.25557 21.94114 1.000 14.90870 C ? A ? 35 C 1
   ATOM 590 O . LYS A 35 ? 0.85826 0.08101 23.02072 1.000 17.93552 O ? A ? 35 O 1
   ATOM 591 CB . LYS A 35 ? 0.04673 -2.30102 21.61577 1.000 16.75178 C ? A ? 35 CB 1
   ATOM 592 CG . LYS A 35 ? 0.10445 -3.71275 21.11951 1.000 20.35946 C ? A ? 35 CG 1
   ATOM 593 CD . LYS A 35 ? -1.14049 -4.56149 21.50229 1.000 31.25086 C ? A ? 35 CD 1
   ATOM 594 CE . LYS A 35 ? -0.94587 -6.05065 21.10592 1.000 29.19770 C ? A ? 35 CE 1
   ATOM 595 NZ . LYS A 35 ? -2.05685 -6.94281 21.64873 1.000 38.85561 N ? A ? 35 NZ 1
   ATOM 596 H . LYS A 35 ? 1.72973 -2.79651 23.30925 1.000 18.36961 H ? A ? 35 H 1
   ATOM 597 HA . LYS A 35 ? 1.90260 -1.86106 20.80376 1.000 17.81105 H ? A ? 35 HA 1
   ATOM 598 HB2 . LYS A 35 ? -0.33263 -2.29651 22.50850 1.000 20.15081 H ? A ? 35 HB2 1
   ATOM 599 HB3 . LYS A 35 ? -0.50941 -1.77920 21.01634 1.000 20.15081 H ? A ? 35 HB3 1
   ATOM 600 HG2 . LYS A 35 ? 0.16828 -3.70175 20.15167 1.000 24.48003 H ? A ? 35 HG2 1
   ATOM 601 HG3 . LYS A 35 ? 0.88521 -4.14590 21.49858 1.000 24.48003 H ? A ? 35 HG3 1
   ATOM 602 HD2 . LYS A 35 ? -1.28024 -4.51529 22.46106 1.000 37.54971 H ? A ? 35 HD2 1
   ATOM 603 HD3 . LYS A 35 ? -1.91973 -4.21972 21.03660 1.000 37.54971 H ? A ? 35 HD3 1
   ATOM 604 HE2 . LYS A 35 ? -0.94450 -6.12495 20.13877 1.000 35.08591 H ? A ? 35 HE2 1
   ATOM 605 HE3 . LYS A 35 ? -0.10203 -6.36764 21.46420 1.000 35.08591 H ? A ? 35 HE3 1
   ATOM 606 HZ1 . LYS A 35 ? -1.93864 -7.77977 21.37009 1.000 46.67541 H ? A ? 35 HZ1 1
   ATOM 607 HZ2 . LYS A 35 ? -2.04941 -6.93088 22.53862 1.000 46.67541 H ? A ? 35 HZ2 1
   ATOM 608 HZ3 . LYS A 35 ? -2.84787 -6.65212 21.36257 1.000 46.67541 H ? A ? 35 HZ3 1
   ATOM 609 N . PHE A 36 ? 1.80188 0.61927 21.07801 1.000 12.89224 N ? A ? 36 N 1
   ATOM 610 CA . PHE A 36 ? 1.76823 2.04714 21.40775 1.000 13.34022 C ? A ? 36 CA 1
   ATOM 611 C . PHE A 36 ? 0.63621 2.76685 20.70313 1.000 14.04271 C ? A ? 36 C 1
   ATOM 612 O . PHE A 36 ? 0.32494 3.89003 21.10626 1.000 15.08909 O ? A ? 36 O 1
   ATOM 613 CB . PHE A 36 ? 3.15837 2.68005 21.15808 1.000 15.66426 C ? A ? 36 CB 1
   ATOM 614 CG . PHE A 36 ? 3.65263 2.46333 19.77045 1.000 10.67617 C ? A ? 36 CG 1
   ATOM 615 CD1 . PHE A 36 ? 3.21957 3.22034 18.70498 1.000 12.82978 C ? A ? 36 CD1 1
   ATOM 616 CD2 . PHE A 36 ? 4.56439 1.46525 19.53570 1.000 11.85467 C ? A ? 36 CD2 1
   ATOM 617 CE1 . PHE A 36 ? 3.59035 3.01034 17.48156 1.000 10.88800 C ? A ? 36 CE1 1
   ATOM 618 CE2 . PHE A 36 ? 5.01064 1.24358 18.26954 1.000 11.02856 C ? A ? 36 CE2 1
   ATOM 619 CZ . PHE A 36 ? 4.52359 1.97026 17.18761 1.000 10.75887 C ? A ? 36 CZ 1
   ATOM 620 H . PHE A 36 ? 2.13578 0.42648 20.30929 1.000 15.51936 H ? A ? 36 H 1
   ATOM 621 HA . PHE A 36 ? 1.60907 2.18509 22.35461 1.000 16.05694 H ? A ? 36 HA 1
   ATOM 622 HB2 . PHE A 36 ? 3.10121 3.63637 21.30996 1.000 18.84579 H ? A ? 36 HB2 1
   ATOM 623 HB3 . PHE A 36 ? 3.79915 2.28472 21.76966 1.000 18.84579 H ? A ? 36 HB3 1
   ATOM 624 HD1 . PHE A 36 ? 2.62960 3.91947 18.87245 1.000 15.44442 H ? A ? 36 HD1 1
   ATOM 625 HD2 . PHE A 36 ? 4.87603 0.94252 20.23893 1.000 14.27428 H ? A ? 36 HD2 1
   ATOM 626 HE1 . PHE A 36 ? 3.24890 3.53671 16.79509 1.000 13.11427 H ? A ? 36 HE1 1
   ATOM 627 HE2 . PHE A 36 ? 5.65669 0.59067 18.12382 1.000 13.28295 H ? A ? 36 HE2 1
   ATOM 628 HZ . PHE A 36 ? 4.79249 1.78768 16.31626 1.000 12.95931 H ? A ? 36 HZ 1
   ATOM 629 N . ASP A 37 ? -0.01534 2.17486 19.71568 1.000 11.76368 N ? A ? 37 N 1
   ATOM 630 CA . ASP A 37 ? -1.09768 2.88149 19.04949 1.000 14.37589 C ? A ? 37 CA 1
   ATOM 631 C . ASP A 37 ? -1.95953 1.93951 18.24891 1.000 18.25989 C ? A ? 37 C 1
   ATOM 632 O . ASP A 37 ? -1.48049 0.99714 17.66771 1.000 13.12428 O ? A ? 37 O 1
   ATOM 633 CB . ASP A 37 ? -0.55549 3.90299 18.05872 1.000 15.08364 C ? A ? 37 CB 1
   ATOM 634 CG . ASP A 37 ? -1.56425 4.95842 17.56604 1.000 17.38386 C ? A ? 37 CG 1
   ATOM 635 OD1 . ASP A 37 ? -2.75940 4.83725 17.97237 1.000 21.56741 O ? A ? 37 OD1 1
   ATOM 636 OD2 . ASP A 37 ? -1.10052 5.90135 16.87545 1.000 14.31874 O ? A ? 37 OD2 1
   ATOM 637 H . ASP A 37 ? 0.14563 1.38375 19.41931 1.000 14.16509 H ? A ? 37 H 1
   ATOM 638 HA . ASP A 37 ? -1.63177 3.29252 19.74713 1.000 17.29974 H ? A ? 37 HA 1
   ATOM 639 HB2 . ASP A 37 ? 0.17523 4.37997 18.48231 1.000 18.14905 H ? A ? 37 HB2 1
   ATOM 640 HB3 . ASP A 37 ? -0.23260 3.42764 17.27726 1.000 18.14905 H ? A ? 37 HB3 1
   ATOM 641 N . SER A 38 ? -3.20109 2.35921 18.01447 1.000 20.73459 N ? A ? 38 N 1
   ATOM 642 CA . SER A 38 ? -3.99849 1.67907 16.99906 1.000 21.29685 C ? A ? 38 CA 1
   ATOM 643 C . SER A 38 ? -5.08108 2.59527 16.51144 1.000 28.20441 C ? A ? 38 C 1
   ATOM 644 O . SER A 38 ? -5.72456 3.26202 17.32673 1.000 34.00780 O ? A ? 38 O 1
   ATOM 645 CB . SER A 38 ? -4.69321 0.43719 17.55193 1.000 27.44727 C ? A ? 38 CB 1
   ATOM 646 OG . SER A 38 ? -5.57862 -0.09258 16.51657 1.000 29.98084 O ? A ? 38 OG 1
   ATOM 647 H . SER A 38 ? -3.58962 3.01264 18.41656 1.000 24.93018 H ? A ? 38 H 1
   ATOM 648 HA . SER A 38 ? -3.40270 1.43846 16.27240 1.000 25.60489 H ? A ? 38 HA 1
   ATOM 649 HB2 . SER A 38 ? -4.02957 -0.23040 17.78603 1.000 32.98539 H ? A ? 38 HB2 1
   ATOM 650 HB3 . SER A 38 ? -5.21373 0.67631 18.33474 1.000 32.98539 H ? A ? 38 HB3 1
   ATOM 651 HG . SER A 38 ? -5.13065 -0.31510 15.84173 1.000 36.02568 H ? A ? 38 HG 1
   ATOM 652 N . SER A 39 ? -5.22319 2.70426 15.18196 1.000 27.84018 N ? A ? 39 N 1
   ATOM 653 CA . SER A 39 ? -6.39829 3.41140 14.65751 1.000 31.00740 C ? A ? 39 CA 1
   ATOM 654 C . SER A 39 ? -7.67464 2.56853 14.77588 1.000 36.47354 C ? A ? 39 C 1
   ATOM 655 O . SER A 39 ? -8.78894 3.10299 14.68733 1.000 37.97780 O ? A ? 39 O 1
   ATOM 656 CB . SER A 39 ? -6.13869 3.83088 13.19209 1.000 28.22924 C ? A ? 39 CB 1
   ATOM 657 OG . SER A 39 ? -6.08040 2.66209 12.34850 1.000 22.90692 O ? A ? 39 OG 1
   ATOM 658 H . SER A 39 ? -4.67959 2.39255 14.59296 1.000 33.45689 H ? A ? 39 H 1
   ATOM 659 HA . SER A 39 ? -6.54847 4.22649 15.16148 1.000 37.25756 H ? A ? 39 HA 1
   ATOM 660 HB2 . SER A 39 ? -6.86006 4.40569 12.89191 1.000 33.92376 H ? A ? 39 HB2 1
   ATOM 661 HB3 . SER A 39 ? -5.29373 4.30445 13.14041 1.000 33.92376 H ? A ? 39 HB3 1
   ATOM 662 HG . SER A 39 ? -5.88947 1.98534 12.80802 1.000 27.53697 H ? A ? 39 HG 1
   ATOM 663 N . ARG A 40 ? -7.53471 1.26004 14.98166 1.000 37.06206 N ? A ? 40 N 1
   ATOM 664 CA . ARG A 40 ? -8.68042 0.35527 14.92376 1.000 42.43472 C ? A ? 40 CA 1
   ATOM 665 C . ARG A 40 ? -9.57267 0.49314 16.14085 1.000 44.98659 C ? A ? 40 C 1
   ATOM 666 O . ARG A 40 ? -10.80724 0.52851 16.01227 1.000 44.71858 O ? A ? 40 O 1
   ATOM 667 CB . ARG A 40 ? -8.17478 -1.08444 14.78889 1.000 39.83151 C ? A ? 40 CB 1
   ATOM 668 CG . ARG A 40 ? -7.45228 -1.31048 13.46451 1.000 34.74693 C ? A ? 40 CG 1
   ATOM 669 CD . ARG A 40 ? -7.15179 -2.88512 13.26539 1.000 35.96530 C ? A ? 40 CD 1
   ATOM 670 NE . ARG A 40 ? -6.53926 -3.14477 11.94601 1.000 37.72636 N ? A ? 40 NE 1
   ATOM 671 CZ . ARG A 40 ? -5.22647 -3.24926 11.77799 1.000 26.94355 C ? A ? 40 CZ 1
   ATOM 672 NH1 . ARG A 40 ? -4.45282 -3.23260 12.86959 1.000 21.32416 N ? A ? 40 NH1 1
   ATOM 673 NH2 . ARG A 40 ? -4.71196 -3.40174 10.51233 1.000 17.72874 N ? A ? 40 NH2 1
   ATOM 674 H . ARG A 40 ? -6.78819 0.87050 15.15650 1.000 44.52315 H ? A ? 40 H 1
   ATOM 675 HA . ARG A 40 ? -9.21675 0.57826 14.14688 1.000 50.97033 H ? A ? 40 HA 1
   ATOM 676 HB2 . ARG A 40 ? -7.55437 -1.27372 15.51011 1.000 47.84648 H ? A ? 40 HB2 1
   ATOM 677 HB3 . ARG A 40 ? -8.92896 -1.69294 14.83177 1.000 47.84648 H ? A ? 40 HB3 1
   ATOM 678 HG2 . ARG A 40 ? -8.00867 -1.00411 12.73139 1.000 41.74500 H ? A ? 40 HG2 1
   ATOM 679 HG3 . ARG A 40 ? -6.60971 -0.82989 13.46484 1.000 41.74500 H ? A ? 40 HG3 1
   ATOM 680 HD2 . ARG A 40 ? -6.53813 -3.18637 13.95356 1.000 43.20703 H ? A ? 40 HD2 1
   ATOM 681 HD3 . ARG A 40 ? -7.98291 -3.38213 13.32134 1.000 43.20703 H ? A ? 40 HD3 1
   ATOM 682 HE . ARG A 40 ? -7.05237 -3.23144 11.26131 1.000 45.32030 H ? A ? 40 HE 1
   ATOM 683 HH11 . ARG A 40 ? -4.80958 -3.15602 13.64834 1.000 25.63767 H ? A ? 40 HH11 1
   ATOM 684 HH12 . ARG A 40 ? -3.59883 -3.29846 12.79242 1.000 25.63767 H ? A ? 40 HH12 1
   ATOM 685 HH21 . ARG A 40 ? -5.23985 -3.42906 9.83397 1.000 21.32316 H ? A ? 40 HH21 1
   ATOM 686 HH22 . ARG A 40 ? -3.86219 -3.46981 10.39893 1.000 21.32316 H ? A ? 40 HH22 1
   ATOM 687 N . ASP A 41 ? -8.96484 0.48921 17.33236 1.000 45.42367 N ? A ? 41 N 1
   ATOM 688 CA . ASP A 41 ? -9.69275 0.67182 18.57237 1.000 48.07733 C ? A ? 41 CA 1
   ATOM 689 C . ASP A 41 ? -10.72894 1.78419 18.46258 1.000 50.50871 C ? A ? 41 C 1
   ATOM 690 O . ASP A 41 ? -11.92053 1.54283 18.68407 1.000 50.07730 O ? A ? 41 O 1
   ATOM 691 CB . ASP A 41 ? -8.71644 0.98864 19.68883 1.000 51.04236 C ? A ? 41 CB 1
   ATOM 692 CG . ASP A 41 ? -7.69274 -0.12411 19.90037 1.000 52.92204 C ? A ? 41 CG 1
   ATOM 693 OD1 . ASP A 41 ? -8.03465 -1.30260 19.60686 1.000 45.74912 O ? A ? 41 OD1 1
   ATOM 694 OD2 . ASP A 41 ? -6.55637 0.19487 20.36007 1.000 50.61373 O ? A ? 41 OD2 1
   ATOM 695 H . ASP A 41 ? -8.11885 0.38045 17.44227 1.000 54.55707 H ? A ? 41 H 1
   ATOM 696 HA . ASP A 41 ? -10.15493 -0.15514 18.78076 1.000 57.74147 H ? A ? 41 HA 1
   ATOM 697 HB2 . ASP A 41 ? -8.23613 1.80222 19.46908 1.000 61.29951 H ? A ? 41 HB2 1
   ATOM 698 HB3 . ASP A 41 ? -9.20826 1.10700 20.51648 1.000 61.29951 H ? A ? 41 HB3 1
   ATOM 699 N . ARG A 42 ? -10.29499 3.01571 18.11806 1.000 49.45683 N ? A ? 42 N 1
   ATOM 700 CA . ARG A 42 ? -11.25429 4.11922 17.98619 1.000 51.34522 C ? A ? 42 CA 1
   ATOM 701 C . ARG A 42 ? -11.97565 4.13163 16.61883 1.000 46.12345 C ? A ? 42 C 1
   ATOM 702 O . ARG A 42 ? -12.76012 5.05244 16.30557 1.000 42.25084 O ? A ? 42 O 1
   ATOM 703 CB . ARG A 42 ? -10.56728 5.46679 18.23639 1.000 57.57802 C ? A ? 42 CB 1
   ATOM 704 CG . ARG A 42 ? -11.50577 6.50973 18.85649 1.000 56.15992 C ? A ? 42 CG 1
   ATOM 705 CD . ARG A 42 ? -10.84928 7.74196 19.51303 1.000 58.32828 C ? A ? 42 CD 1
   ATOM 706 NE . ARG A 42 ? -11.79195 8.87076 19.58785 1.000 58.41569 N ? A ? 42 NE 1
   ATOM 707 CZ . ARG A 42 ? -11.91511 9.83202 18.67000 1.000 59.71015 C ? A ? 42 CZ 1
   ATOM 708 NH1 . ARG A 42 ? -11.10747 9.91548 17.62350 1.000 71.52185 N ? A ? 42 NH1 1
   ATOM 709 NH2 . ARG A 42 ? -12.86339 10.74645 18.81225 1.000 62.85961 N ? A ? 42 NH2 1
   ATOM 710 H . ARG A 42 ? -9.47519 3.22350 17.96200 1.000 59.39687 H ? A ? 42 H 1
   ATOM 711 HA . ARG A 42 ? -11.93148 4.01288 18.67249 1.000 61.66294 H ? A ? 42 HA 1
   ATOM 712 HB2 . ARG A 42 ? -9.82381 5.33319 18.84491 1.000 69.14229 H ? A ? 42 HB2 1
   ATOM 713 HB3 . ARG A 42 ? -10.24542 5.81800 17.39143 1.000 69.14229 H ? A ? 42 HB3 1
   ATOM 714 HG2 . ARG A 42 ? -12.08944 6.84179 18.15651 1.000 67.44058 H ? A ? 42 HG2 1
   ATOM 715 HG3 . ARG A 42 ? -12.02959 6.07034 19.54457 1.000 67.44058 H ? A ? 42 HG3 1
   ATOM 716 HD2 . ARG A 42 ? -10.56935 7.51634 20.41394 1.000 70.04261 H ? A ? 42 HD2 1
   ATOM 717 HD3 . ARG A 42 ? -10.08256 8.01748 18.98659 1.000 70.04261 H ? A ? 42 HD3 1
   ATOM 718 HE . ARG A 42 ? -12.30374 8.91410 20.27763 1.000 70.14750 H ? A ? 42 HE 1
   ATOM 719 HH11 . ARG A 42 ? -10.47847 9.33845 17.51868 1.000 85.87490 H ? A ? 42 HH11 1
   ATOM 720 HH12 . ARG A 42 ? -11.21210 10.54669 17.04886 1.000 85.87490 H ? A ? 42 HH12 1
   ATOM 721 HH21 . ARG A 42 ? -13.39133 10.71653 19.49047 1.000 75.48021 H ? A ? 42 HH21 1
   ATOM 722 HH22 . ARG A 42 ? -12.95094 11.36987 18.22635 1.000 75.48021 H ? A ? 42 HH22 1
   ATOM 723 N . ASN A 43 ? -11.76064 3.10702 15.81008 1.000 43.56231 N ? A ? 43 N 1
   ATOM 724 CA . ASN A 43 ? -12.58654 2.91870 14.63260 1.000 45.18676 C ? A ? 43 CA 1
   ATOM 725 C . ASN A 43 ? -12.53277 4.12587 13.70164 1.000 42.78373 C ? A ? 43 C 1
   ATOM 726 O . ASN A 43 ? -13.54460 4.58457 13.18757 1.000 43.61325 O ? A ? 43 O 1
   ATOM 727 CB . ASN A 43 ? -14.01193 2.63888 15.06001 1.000 42.51195 C ? A ? 43 CB 1
   ATOM 728 CG . ASN A 43 ? -14.66272 1.64462 14.19957 1.000 44.42406 C ? A ? 43 CG 1
   ATOM 729 OD1 . ASN A 43 ? -14.41116 1.63063 12.98971 1.000 51.03344 O ? A ? 43 OD1 1
   ATOM 730 ND2 . ASN A 43 ? -15.55100 0.79505 14.80566 1.000 39.85874 N ? A ? 43 ND2 1
   ATOM 731 H . ASN A 43 ? -11.14828 2.51357 15.92161 1.000 52.32344 H ? A ? 43 H 1
   ATOM 732 HA . ASN A 43 ? -12.24613 2.16525 14.12532 1.000 54.27279 H ? A ? 43 HA 1
   ATOM 733 HB2 . ASN A 43 ? -14.01094 2.29847 15.96832 1.000 51.06302 H ? A ? 43 HB2 1
   ATOM 734 HB3 . ASN A 43 ? -14.52518 3.46070 15.01427 1.000 51.06302 H ? A ? 43 HB3 1
   ATOM 735 HD21 . ASN A 43 ? -15.70220 0.86160 15.64965 1.000 47.87917 H ? A ? 43 HD21 1
   ATOM 736 HD22 . ASN A 43 ? -15.95722 0.19537 14.34201 1.000 47.87917 H ? A ? 43 HD22 1
   ATOM 737 N . LYS A 44 ? -11.34773 4.65520 13.49343 1.000 42.14971 N ? A ? 44 N 1
   ATOM 738 CA . LYS A 44 ? -11.24057 5.84709 12.66625 1.000 40.98260 C ? A ? 44 CA 1
   ATOM 739 C . LYS A 44 ? -10.00236 5.67378 11.80447 1.000 33.65656 C ? A ? 44 C 1
   ATOM 740 O . LYS A 44 ? -8.90418 5.76603 12.33017 1.000 30.73680 O ? A ? 44 O 1
   ATOM 741 CB . LYS A 44 ? -11.16380 7.12136 13.52030 1.000 44.89892 C ? A ? 44 CB 1
   ATOM 742 CG . LYS A 44 ? -11.00520 8.42936 12.70901 1.000 44.16602 C ? A ? 44 CG 1
   ATOM 743 CD . LYS A 44 ? -11.98679 8.51176 11.53956 1.000 49.52977 C ? A ? 44 CD 1
   ATOM 744 CE . LYS A 44 ? -13.44043 8.59614 11.99116 1.000 60.83733 C ? A ? 44 CE 1
   ATOM 745 NZ . LYS A 44 ? -14.38899 8.49240 10.83058 1.000 79.66681 N ? A ? 44 NZ 1
   ATOM 746 H . LYS A 44 ? -10.60644 4.35479 13.80942 1.000 50.62833 H ? A ? 44 H 1
   ATOM 747 HA . LYS A 44 ? -12.02306 5.95553 12.10336 1.000 49.22780 H ? A ? 44 HA 1
   ATOM 748 HB2 . LYS A 44 ? -11.98031 7.19538 14.03869 1.000 53.92737 H ? A ? 44 HB2 1
   ATOM 749 HB3 . LYS A 44 ? -10.39958 7.05007 14.11341 1.000 53.92737 H ? A ? 44 HB3 1
   ATOM 750 HG2 . LYS A 44 ? -11.16765 9.18705 13.29247 1.000 53.04790 H ? A ? 44 HG2 1
   ATOM 751 HG3 . LYS A 44 ? -10.10506 8.47384 12.35031 1.000 53.04790 H ? A ? 44 HG3 1
   ATOM 752 HD2 . LYS A 44 ? -11.78959 9.30457 11.01662 1.000 59.48439 H ? A ? 44 HD2 1
   ATOM 753 HD3 . LYS A 44 ? -11.89012 7.71884 10.98927 1.000 59.48439 H ? A ? 44 HD3 1
   ATOM 754 HE2 . LYS A 44 ? -13.62843 7.86801 12.60385 1.000 73.05347 H ? A ? 44 HE2 1
   ATOM 755 HE3 . LYS A 44 ? -13.59030 9.44733 12.43151 1.000 73.05347 H ? A ? 44 HE3 1
   ATOM 756 HZ1 . LYS A 44 ? -15.22808 8.57808 11.11464 1.000 95.64885 H ? A ? 44 HZ1 1
   ATOM 757 HZ2 . LYS A 44 ? -14.21738 9.13465 10.23883 1.000 95.64885 H ? A ? 44 HZ2 1
   ATOM 758 HZ3 . LYS A 44 ? -14.29805 7.70141 10.43287 1.000 95.64885 H ? A ? 44 HZ3 1
   ATOM 759 N . PRO A 45 ? -10.15932 5.48540 10.50080 1.000 31.22106 N ? A ? 45 N 1
   ATOM 760 CA . PRO A 45 ? -8.99053 5.26934 9.62334 1.000 26.30180 C ? A ? 45 CA 1
   ATOM 761 C . PRO A 45 ? -8.00214 6.41361 9.63307 1.000 23.69215 C ? A ? 45 C 1
   ATOM 762 O . PRO A 45 ? -8.33747 7.58477 9.88135 1.000 24.03463 O ? A ? 45 O 1
   ATOM 763 CB . PRO A 45 ? -9.60819 5.10921 8.22991 1.000 26.96371 C ? A ? 45 CB 1
   ATOM 764 CG . PRO A 45 ? -11.04421 4.50716 8.56977 1.000 32.20591 C ? A ? 45 CG 1
   ATOM 765 CD . PRO A 45 ? -11.44330 5.31263 9.79967 1.000 34.23858 C ? A ? 45 CD 1
   ATOM 766 HA . PRO A 45 ? -8.53640 4.45768 9.89880 1.000 31.61084 H ? A ? 45 HA 1
   ATOM 767 HB2 . PRO A 45 ? -9.67662 5.96860 7.78532 1.000 32.40512 H ? A ? 45 HB2 1
   ATOM 768 HB3 . PRO A 45 ? -9.08232 4.49778 7.69091 1.000 32.40512 H ? A ? 45 HB3 1
   ATOM 769 HG2 . PRO A 45 ? -11.65895 4.65104 7.83337 1.000 38.69576 H ? A ? 45 HG2 1
   ATOM 770 HG3 . PRO A 45 ? -10.98021 3.55984 8.76824 1.000 38.69576 H ? A ? 45 HG3 1
   ATOM 771 HD2 . PRO A 45 ? -11.81980 6.17009 9.54688 1.000 41.13498 H ? A ? 45 HD2 1
   ATOM 772 HD3 . PRO A 45 ? -12.07538 4.82124 10.34732 1.000 41.13498 H ? A ? 45 HD3 1
   ATOM 773 N . PHE A 46 ? -6.75253 6.07567 9.26753 1.000 17.68105 N ? A ? 46 N 1
   ATOM 774 CA . PHE A 46 ? -5.62507 7.02053 9.23139 1.000 16.57744 C ? A ? 46 CA 1
   ATOM 775 C . PHE A 46 ? -5.38074 7.34496 7.76740 1.000 15.55606 C ? A ? 46 C 1
   ATOM 776 O . PHE A 46 ? -5.30727 6.45390 6.93737 1.000 14.18855 O ? A ? 46 O 1
   ATOM 777 CB . PHE A 46 ? -4.35628 6.37579 9.82973 1.000 14.66840 C ? A ? 46 CB 1
   ATOM 778 CG . PHE A 46 ? -3.16106 7.14402 9.69413 1.000 13.42424 C ? A ? 46 CG 1
   ATOM 779 CD1 . PHE A 46 ? -2.96974 8.23122 10.49468 1.000 13.80622 C ? A ? 46 CD1 1
   ATOM 780 CD2 . PHE A 46 ? -2.16056 6.79289 8.80019 1.000 13.16211 C ? A ? 46 CD2 1
   ATOM 781 CE1 . PHE A 46 ? -1.76266 8.98404 10.38452 1.000 13.53825 C ? A ? 46 CE1 1
   ATOM 782 CE2 . PHE A 46 ? -0.96747 7.50357 8.70328 1.000 11.86491 C ? A ? 46 CE2 1
   ATOM 783 CZ . PHE A 46 ? -0.79291 8.64228 9.43572 1.000 12.23945 C ? A ? 46 CZ 1
   ATOM 784 H . PHE A 46 ? -6.52849 5.28027 9.02932 1.000 21.26594 H ? A ? 46 H 1
   ATOM 785 HA . PHE A 46 ? -5.82262 7.82412 9.73747 1.000 19.94160 H ? A ? 46 HA 1
   ATOM 786 HB2 . PHE A 46 ? -4.50323 6.23367 10.77794 1.000 17.65075 H ? A ? 46 HB2 1
   ATOM 787 HB3 . PHE A 46 ? -4.20642 5.52623 9.38624 1.000 17.65075 H ? A ? 46 HB3 1
   ATOM 788 HD1 . PHE A 46 ? -3.62212 8.48054 11.10880 1.000 16.61613 H ? A ? 46 HD1 1
   ATOM 789 HD2 . PHE A 46 ? -2.29122 6.05728 8.24637 1.000 15.84321 H ? A ? 46 HD2 1
   ATOM 790 HE1 . PHE A 46 ? -1.61910 9.70907 10.94899 1.000 16.29458 H ? A ? 46 HE1 1
   ATOM 791 HE2 . PHE A 46 ? -0.29063 7.20317 8.14065 1.000 14.28657 H ? A ? 46 HE2 1
   ATOM 792 HZ . PHE A 46 ? -0.04494 9.17967 9.30669 1.000 14.73601 H ? A ? 46 HZ 1
   ATOM 793 N . LYS A 47 ? -5.25061 8.61089 7.44517 1.000 14.67743 N ? A ? 47 N 1
   ATOM 794 CA . LYS A 47 ? -4.92300 9.06123 6.10810 1.000 16.23625 C ? A ? 47 CA 1
   ATOM 795 C . LYS A 47 ? -3.59868 9.78381 5.99548 1.000 15.57780 C ? A ? 47 C 1
   ATOM 796 O . LYS A 47 ? -3.23940 10.60220 6.84830 1.000 15.68879 O ? A ? 47 O 1
   ATOM 797 CB . LYS A 47 ? -6.03606 10.06385 5.67258 1.000 19.04108 C ? A ? 47 CB 1
   ATOM 798 CG . LYS A 47 ? -7.32431 9.45707 5.76440 1.000 19.57912 C ? A ? 47 CG 1
   ATOM 799 CD . LYS A 47 ? -8.28766 10.26638 4.81589 1.000 25.28204 C ? A ? 47 CD 1
   ATOM 800 CE . LYS A 47 ? -9.69497 9.85064 5.09981 1.000 28.94891 C ? A ? 47 CE 1
   ATOM 801 NZ . LYS A 47 ? -10.54426 10.87282 4.35128 1.000 40.16337 N ? A ? 47 NZ 1
   ATOM 802 H . LYS A 47 ? -5.35079 9.25637 8.00456 1.000 17.66160 H ? A ? 47 H 1
   ATOM 803 HA . LYS A 47 ? -4.84212 8.28054 5.53812 1.000 19.53218 H ? A ? 47 HA 1
   ATOM 804 HB2 . LYS A 47 ? -6.01783 10.84022 6.25380 1.000 22.89797 H ? A ? 47 HB2 1
   ATOM 805 HB3 . LYS A 47 ? -5.88645 10.33419 4.75310 1.000 22.89797 H ? A ? 47 HB3 1
   ATOM 806 HG2 . LYS A 47 ? -7.28409 8.53316 5.47169 1.000 23.54362 H ? A ? 47 HG2 1
   ATOM 807 HG3 . LYS A 47 ? -7.65483 9.50242 6.67523 1.000 23.54362 H ? A ? 47 HG3 1
   ATOM 808 HD2 . LYS A 47 ? -8.19792 11.21746 4.98409 1.000 30.38712 H ? A ? 47 HD2 1
   ATOM 809 HD3 . LYS A 47 ? -8.08078 10.07256 3.88824 1.000 30.38712 H ? A ? 47 HD3 1
   ATOM 810 HE2 . LYS A 47 ? -9.86964 8.95820 4.76227 1.000 34.78737 H ? A ? 47 HE2 1
   ATOM 811 HE3 . LYS A 47 ? -9.88473 9.88888 6.05030 1.000 34.78737 H ? A ? 47 HE3 1
   ATOM 812 HZ1 . LYS A 47 ? -11.40811 10.71646 4.49762 1.000 48.24472 H ? A ? 47 HZ1 1
   ATOM 813 HZ2 . LYS A 47 ? -10.34810 11.69470 4.63079 1.000 48.24472 H ? A ? 47 HZ2 1
   ATOM 814 HZ3 . LYS A 47 ? -10.38505 10.81929 3.47727 1.000 48.24472 H ? A ? 47 HZ3 1
   ATOM 815 N . PHE A 48 ? -2.85890 9.50606 4.92381 1.000 14.45653 N ? A ? 48 N 1
   ATOM 816 CA . PHE A 48 ? -1.63479 10.24411 4.71053 1.000 14.79069 C ? A ? 48 CA 1
   ATOM 817 C . PHE A 48 ? -1.39663 10.29225 3.21413 1.000 16.61887 C ? A ? 48 C 1
   ATOM 818 O . PHE A 48 ? -1.83929 9.39154 2.48871 1.000 16.44974 O ? A ? 48 O 1
   ATOM 819 CB . PHE A 48 ? -0.43040 9.60728 5.47906 1.000 14.73805 C ? A ? 48 CB 1
   ATOM 820 CG . PHE A 48 ? 0.11986 8.39042 4.86344 1.000 14.71493 C ? A ? 48 CG 1
   ATOM 821 CD1 . PHE A 48 ? -0.51821 7.21958 5.03613 1.000 13.37123 C ? A ? 48 CD1 1
   ATOM 822 CD2 . PHE A 48 ? 1.36342 8.39592 4.18795 1.000 14.63261 C ? A ? 48 CD2 1
   ATOM 823 CE1 . PHE A 48 ? -0.03512 6.03014 4.44779 1.000 12.53715 C ? A ? 48 CE1 1
   ATOM 824 CE2 . PHE A 48 ? 1.85818 7.21577 3.59744 1.000 15.51557 C ? A ? 48 CE2 1
   ATOM 825 CZ . PHE A 48 ? 1.14232 6.02948 3.74715 1.000 14.08357 C ? A ? 48 CZ 1
   ATOM 826 H . PHE A 48 ? -3.04510 8.91279 4.32970 1.000 17.39651 H ? A ? 48 H 1
   ATOM 827 HA . PHE A 48 ? -1.71657 11.15361 5.03766 1.000 17.79750 H ? A ? 48 HA 1
   ATOM 828 HB2 . PHE A 48 ? 0.28546 10.26023 5.52488 1.000 17.73433 H ? A ? 48 HB2 1
   ATOM 829 HB3 . PHE A 48 ? -0.72456 9.37417 6.37351 1.000 17.73433 H ? A ? 48 HB3 1
   ATOM 830 HD1 . PHE A 48 ? -1.29141 7.19256 5.55220 1.000 16.09415 H ? A ? 48 HD1 1
   ATOM 831 HD2 . PHE A 48 ? 1.85672 9.18242 4.13342 1.000 17.60781 H ? A ? 48 HD2 1
   ATOM 832 HE1 . PHE A 48 ? -0.51981 5.24140 4.53656 1.000 15.09326 H ? A ? 48 HE1 1
   ATOM 833 HE2 . PHE A 48 ? 2.65249 7.22850 3.11390 1.000 18.66735 H ? A ? 48 HE2 1
   ATOM 834 HZ . PHE A 48 ? 1.46252 5.24057 3.37299 1.000 16.94896 H ? A ? 48 HZ 1
   ATOM 835 N . MET A 49 ? -0.63241 11.29420 2.76826 1.000 15.69870 N ? A ? 49 N 1
   ATOM 836 CA . MET A 49 ? -0.31336 11.47600 1.34930 1.000 18.07403 C ? A ? 49 CA 1
   ATOM 837 C . MET A 49 ? 1.09377 10.99451 1.06907 1.000 17.77336 C ? A ? 49 C 1
   ATOM 838 O . MET A 49 ? 1.99840 11.38871 1.76930 1.000 17.67452 O ? A ? 49 O 1
   ATOM 839 CB . MET A 49 ? -0.34117 12.96636 0.96170 1.000 19.69560 C ? A ? 49 CB 1
   ATOM 840 CG . MET A 49 ? 0.07671 13.15643 -0.49342 1.000 22.85364 C ? A ? 49 CG 1
   ATOM 841 SD . MET A 49 ? -0.53065 14.88892 -1.00892 1.000 25.48955 S ? A ? 49 SD 1
   ATOM 842 CE . MET A 49 ? -2.25362 14.75960 -0.60193 1.000 26.61128 C ? A ? 49 CE 1
   ATOM 843 H . MET A 49 ? -0.28142 11.89143 3.27788 1.000 18.88712 H ? A ? 49 H 1
   ATOM 844 HA . MET A 49 ? -0.96943 10.97626 0.83869 1.000 21.73751 H ? A ? 49 HA 1
   ATOM 845 HB2 . MET A 49 ? -1.24072 13.31211 1.07202 1.000 23.68339 H ? A ? 49 HB2 1
   ATOM 846 HB3 . MET A 49 ? 0.27502 13.45858 1.52644 1.000 23.68339 H ? A ? 49 HB3 1
   ATOM 847 HG2 . MET A 49 ? 1.04188 13.11064 -0.57853 1.000 27.47304 H ? A ? 49 HG2 1
   ATOM 848 HG3 . MET A 49 ? -0.33826 12.48453 -1.05667 1.000 27.47304 H ? A ? 49 HG3 1
   ATOM 849 HE1 . MET A 49 ? -2.74290 15.44965 -1.07663 1.000 31.98221 H ? A ? 49 HE1 1
   ATOM 850 HE2 . MET A 49 ? -2.57584 13.88389 -0.86690 1.000 31.98221 H ? A ? 49 HE2 1
   ATOM 851 HE3 . MET A 49 ? -2.36171 14.87623 0.35494 1.000 31.98221 H ? A ? 49 HE3 1
   ATOM 852 N . LEU A 50 ? 1.26685 10.19101 0.02241 1.000 17.95341 N ? A ? 50 N 1
   ATOM 853 CA . LEU A 50 ? 2.57676 9.70042 -0.29544 1.000 20.85586 C ? A ? 50 CA 1
   ATOM 854 C . LEU A 50 ? 3.46392 10.78228 -0.86896 1.000 22.83752 C ? A ? 50 C 1
   ATOM 855 O . LEU A 50 ? 3.00483 11.70115 -1.58056 1.000 23.03751 O ? A ? 50 O 1
   ATOM 856 CB . LEU A 50 ? 2.42537 8.58639 -1.31437 1.000 21.61501 C ? A ? 50 CB 1
   ATOM 857 CG . LEU A 50 ? 2.16493 7.15532 -1.04366 1.000 23.03815 C ? A ? 50 CG 1
   ATOM 858 CD1 . LEU A 50 ? 2.39357 6.43007 -2.29065 1.000 22.26497 C ? A ? 50 CD1 1
   ATOM 859 CD2 . LEU A 50 ? 3.03113 6.52728 -0.00048 1.000 19.39185 C ? A ? 50 CD2 1
   ATOM 860 H . LEU A 50 ? 0.64188 9.92553 -0.50536 1.000 21.59277 H ? A ? 50 H 1
   ATOM 861 HA . LEU A 50 ? 3.01047 9.37483 0.50879 1.000 25.07570 H ? A ? 50 HA 1
   ATOM 862 HB2 . LEU A 50 ? 1.68920 8.85763 -1.88479 1.000 25.98669 H ? A ? 50 HB2 1
   ATOM 863 HB3 . LEU A 50 ? 3.25348 8.58531 -1.81947 1.000 25.98669 H ? A ? 50 HB3 1
   ATOM 864 HG . LEU A 50 ? 1.25769 7.09552 -0.70568 1.000 27.69445 H ? A ? 50 HG 1
   ATOM 865 HD11 . LEU A 50 ? 2.19851 5.49039 -2.14979 1.000 26.76664 H ? A ? 50 HD11 1
   ATOM 866 HD12 . LEU A 50 ? 1.80987 6.78982 -2.97679 1.000 26.76664 H ? A ? 50 HD12 1
   ATOM 867 HD13 . LEU A 50 ? 3.32062 6.53958 -2.55425 1.000 26.76664 H ? A ? 50 HD13 1
   ATOM 868 HD21 . LEU A 50 ? 2.75629 5.60556 0.12519 1.000 23.31889 H ? A ? 50 HD21 1
   ATOM 869 HD22 . LEU A 50 ? 3.95465 6.55980 -0.29536 1.000 23.31889 H ? A ? 50 HD22 1
   ATOM 870 HD23 . LEU A 50 ? 2.93163 7.01829 0.83013 1.000 23.31889 H ? A ? 50 HD23 1
   ATOM 871 N . GLY A 51 ? 4.77100 10.65032 -0.65544 1.000 23.26831 N ? A ? 51 N 1
   ATOM 872 CA . GLY A 51 ? 5.68261 11.61778 -1.25574 1.000 24.73094 C ? A ? 51 CA 1
   ATOM 873 C . GLY A 51 ? 5.85929 12.94257 -0.55468 1.000 26.11072 C ? A ? 51 C 1
   ATOM 874 O . GLY A 51 ? 6.55925 13.83217 -1.07921 1.000 28.28566 O ? A ? 51 O 1
   ATOM 875 H . GLY A 51 ? 5.13983 10.03240 -0.18456 1.000 27.97065 H ? A ? 51 H 1
   ATOM 876 HA2 . GLY A 51 ? 6.55978 11.20756 -1.31220 1.000 29.72580 H ? A ? 51 HA2 1
   ATOM 877 HA3 . GLY A 51 ? 5.36614 11.81118 -2.15204 1.000 29.72580 H ? A ? 51 HA3 1
   ATOM 878 N . LYS A 52 ? 5.29979 13.09863 0.63332 1.000 23.25175 N ? A ? 52 N 1
   ATOM 879 CA . LYS A 52 ? 5.34119 14.33987 1.40885 1.000 23.81824 C ? A ? 52 CA 1
   ATOM 880 C . LYS A 52 ? 6.06227 14.19901 2.73806 1.000 22.40913 C ? A ? 52 C 1
   ATOM 881 O . LYS A 52 ? 5.93850 15.08022 3.60815 1.000 22.32414 O ? A ? 52 O 1
   ATOM 882 CB . LYS A 52 ? 3.89756 14.80291 1.63751 1.000 23.43665 C ? A ? 52 CB 1
   ATOM 883 CG . LYS A 52 ? 3.12283 15.05911 0.35865 1.000 27.98149 C ? A ? 52 CG 1
   ATOM 884 CD . LYS A 52 ? 3.64459 16.34544 -0.27142 1.000 40.12210 C ? A ? 52 CD 1
   ATOM 885 CE . LYS A 52 ? 2.80405 16.78443 -1.48060 1.000 42.89513 C ? A ? 52 CE 1
   ATOM 886 NZ . LYS A 52 ? 1.63732 17.63651 -1.11855 1.000 46.87484 N ? A ? 52 NZ 1
   ATOM 887 H . LYS A 52 ? 4.86800 12.47349 1.03626 1.000 27.95077 H ? A ? 52 H 1
   ATOM 888 HA . LYS A 52 ? 5.82767 15.01550 0.91109 1.000 28.63056 H ? A ? 52 HA 1
   ATOM 889 HB2 . LYS A 52 ? 3.42623 14.11708 2.13589 1.000 28.17265 H ? A ? 52 HB2 1
   ATOM 890 HB3 . LYS A 52 ? 3.91277 15.62990 2.14422 1.000 28.17265 H ? A ? 52 HB3 1
   ATOM 891 HG2 . LYS A 52 ? 3.25344 14.32549 -0.26235 1.000 33.62646 H ? A ? 52 HG2 1
   ATOM 892 HG3 . LYS A 52 ? 2.17882 15.16238 0.55631 1.000 33.62646 H ? A ? 52 HG3 1
   ATOM 893 HD2 . LYS A 52 ? 3.61850 17.05630 0.38804 1.000 48.19520 H ? A ? 52 HD2 1
   ATOM 894 HD3 . LYS A 52 ? 4.55599 16.20553 -0.57253 1.000 48.19520 H ? A ? 52 HD3 1
   ATOM 895 HE2 . LYS A 52 ? 3.36670 17.29396 -2.08450 1.000 51.52283 H ? A ? 52 HE2 1
   ATOM 896 HE3 . LYS A 52 ? 2.46546 15.99424 -1.92989 1.000 51.52283 H ? A ? 52 HE3 1
   ATOM 897 HZ1 . LYS A 52 ? 1.18196 17.85629 -1.85097 1.000 56.29849 H ? A ? 52 HZ1 1
   ATOM 898 HZ2 . LYS A 52 ? 1.09819 17.19510 -0.56484 1.000 56.29849 H ? A ? 52 HZ2 1
   ATOM 899 HZ3 . LYS A 52 ? 1.91647 18.38057 -0.71785 1.000 56.29849 H ? A ? 52 HZ3 1
   ATOM 900 N . GLN A 53 ? 6.82656 13.14543 2.91074 1.000 21.94631 N ? A ? 53 N 1
   ATOM 901 CA . GLN A 53 ? 7.60252 12.98343 4.13516 1.000 22.41153 C ? A ? 53 CA 1
   ATOM 902 C . GLN A 53 ? 6.70639 13.16620 5.35521 1.000 18.22710 C ? A ? 53 C 1
   ATOM 903 O . GLN A 53 ? 7.15005 13.65294 6.41438 1.000 20.00821 O ? A ? 53 O 1
   ATOM 904 CB . GLN A 53 ? 8.78583 13.95590 4.18500 1.000 24.17316 C ? A ? 53 CB 1
   ATOM 905 CG . GLN A 53 ? 9.89907 13.64082 3.08284 1.000 27.80732 C ? A ? 53 CG 1
   ATOM 906 CD . GLN A 53 ? 9.43847 14.18004 1.74030 1.000 28.51628 C ? A ? 53 CD 1
   ATOM 907 OE1 . GLN A 53 ? 9.49665 13.53082 0.73474 1.000 30.55351 O ? A ? 53 OE1 1
   ATOM 908 NE2 . GLN A 53 ? 8.92821 15.39019 1.76018 1.000 30.36185 N ? A ? 53 NE2 1
   ATOM 909 H . GLN A 53 ? 6.91794 12.50821 2.34047 1.000 26.38424 H ? A ? 53 H 1
   ATOM 910 HA . GLN A 53 ? 7.96494 12.08382 4.15071 1.000 26.94251 H ? A ? 53 HA 1
   ATOM 911 HB2 . GLN A 53 ? 8.45974 14.85659 4.03228 1.000 29.05647 H ? A ? 53 HB2 1
   ATOM 912 HB3 . GLN A 53 ? 9.20421 13.89814 5.05823 1.000 29.05647 H ? A ? 53 HB3 1
   ATOM 913 HG2 . GLN A 53 ? 10.73407 14.07084 3.32526 1.000 33.41745 H ? A ? 53 HG2 1
   ATOM 914 HG3 . GLN A 53 ? 10.02856 12.68230 3.00961 1.000 33.41745 H ? A ? 53 HG3 1
   ATOM 915 HE21 . GLN A 53 ? 8.87317 15.82151 2.50216 1.000 36.48289 H ? A ? 53 HE21 1
   ATOM 916 HE22 . GLN A 53 ? 8.64914 15.75121 1.03122 1.000 36.48289 H ? A ? 53 HE22 1
   ATOM 917 N . GLU A 54 ? 5.47247 12.67446 5.24740 1.000 16.13482 N ? A ? 54 N 1
   ATOM 918 CA . GLU A 54 ? 4.56592 12.76751 6.36718 1.000 16.28409 C ? A ? 54 CA 1
   ATOM 919 C . GLU A 54 ? 4.76981 11.67389 7.36483 1.000 13.13967 C ? A ? 54 C 1
   ATOM 920 O . GLU A 54 ? 4.48605 11.86084 8.54477 1.000 13.72018 O ? A ? 54 O 1
   ATOM 921 CB . GLU A 54 ? 3.11349 12.73145 5.91598 1.000 15.94312 C ? A ? 54 CB 1
   ATOM 922 CG . GLU A 54 ? 2.68124 14.03599 5.25029 1.000 18.17772 C ? A ? 54 CG 1
   ATOM 923 CD . GLU A 54 ? 1.27529 13.99811 4.75678 1.000 19.28977 C ? A ? 54 CD 1
   ATOM 924 OE1 . GLU A 54 ? 0.51865 12.95148 4.84602 1.000 17.55093 O ? A ? 54 OE1 1
   ATOM 925 OE2 . GLU A 54 ? 0.85274 15.10556 4.26662 1.000 20.86561 O ? A ? 54 OE2 1
   ATOM 926 H . GLU A 54 ? 5.15052 12.29172 4.54779 1.000 19.41046 H ? A ? 54 H 1
   ATOM 927 HA . GLU A 54 ? 4.73522 13.62397 6.78992 1.000 19.58958 H ? A ? 54 HA 1
   ATOM 928 HB2 . GLU A 54 ? 2.99783 12.01231 5.27539 1.000 19.18042 H ? A ? 54 HB2 1
   ATOM 929 HB3 . GLU A 54 ? 2.54492 12.58294 6.68771 1.000 19.18042 H ? A ? 54 HB3 1
   ATOM 930 HG2 . GLU A 54 ? 2.75288 14.75766 5.89446 1.000 21.86194 H ? A ? 54 HG2 1
   ATOM 931 HG3 . GLU A 54 ? 3.26006 14.20984 4.49158 1.000 21.86194 H ? A ? 54 HG3 1
   ATOM 932 N . VAL A 55 ? 5.27543 10.52596 6.92722 1.000 12.68133 N ? A ? 55 N 1
   ATOM 933 CA . VAL A 55 ? 5.37502 9.42679 7.85414 1.000 12.33330 C ? A ? 55 CA 1
   ATOM 934 C . VAL A 55 ? 6.75876 8.78382 7.81267 1.000 11.19257 C ? A ? 55 C 1
   ATOM 935 O . VAL A 55 ? 7.54532 8.99353 6.88996 1.000 12.65161 O ? A ? 55 O 1
   ATOM 936 CB . VAL A 55 ? 4.31488 8.31931 7.54934 1.000 9.92810 C ? A ? 55 CB 1
   ATOM 937 CG1 . VAL A 55 ? 2.87244 8.89957 7.73443 1.000 12.73020 C ? A ? 55 CG1 1
   ATOM 938 CG2 . VAL A 55 ? 4.49434 7.61173 6.14506 1.000 11.82630 C ? A ? 55 CG2 1
   ATOM 939 H . VAL A 55 ? 5.55401 10.37464 6.12779 1.000 15.26627 H ? A ? 55 H 1
   ATOM 940 HA . VAL A 55 ? 5.25063 9.79804 8.74160 1.000 14.84864 H ? A ? 55 HA 1
   ATOM 941 HB . VAL A 55 ? 4.45496 7.60564 8.19117 1.000 11.96239 H ? A ? 55 HB 1
   ATOM 942 HG11 . VAL A 55 ? 2.22720 8.18456 7.61896 1.000 15.32491 H ? A ? 55 HG11 1
   ATOM 943 HG12 . VAL A 55 ? 2.79480 9.27444 8.62568 1.000 15.32491 H ? A ? 55 HG12 1
   ATOM 944 HG13 . VAL A 55 ? 2.72253 9.59079 7.07063 1.000 15.32491 H ? A ? 55 HG13 1
   ATOM 945 HG21 . VAL A 55 ? 3.73966 7.02249 5.98960 1.000 14.24023 H ? A ? 55 HG21 1
   ATOM 946 HG22 . VAL A 55 ? 4.53281 8.28973 5.45243 1.000 14.24023 H ? A ? 55 HG22 1
   ATOM 947 HG23 . VAL A 55 ? 5.31797 7.09940 6.15254 1.000 14.24023 H ? A ? 55 HG23 1
   ATOM 948 N . ILE A 56 ? 7.03266 7.91752 8.78083 1.000 10.00972 N ? A ? 56 N 1
   ATOM 949 CA . ILE A 56 ? 8.36277 7.29328 8.82516 1.000 10.70605 C ? A ? 56 CA 1
   ATOM 950 C . ILE A 56 ? 8.56132 6.48458 7.52304 1.000 9.20482 C ? A ? 56 C 1
   ATOM 951 O . ILE A 56 ? 7.63943 5.92161 6.95485 1.000 8.45198 O ? A ? 56 O 1
   ATOM 952 CB . ILE A 56 ? 8.59829 6.38944 10.04800 1.000 9.69706 C ? A ? 56 CB 1
   ATOM 953 CG1 . ILE A 56 ? 7.50091 5.31004 10.20981 1.000 9.00006 C ? A ? 56 CG1 1
   ATOM 954 CG2 . ILE A 56 ? 8.70657 7.27404 11.29286 1.000 10.03490 C ? A ? 56 CG2 1
   ATOM 955 CD1 . ILE A 56 ? 7.73662 4.34914 11.41836 1.000 10.12830 C ? A ? 56 CD1 1
   ATOM 956 H . ILE A 56 ? 6.49106 7.67806 9.40447 1.000 12.06034 H ? A ? 56 H 1
   ATOM 957 HA . ILE A 56 ? 9.01345 8.00901 8.89762 1.000 12.89594 H ? A ? 56 HA 1
   ATOM 958 HB . ILE A 56 ? 9.42579 5.90077 9.91632 1.000 11.68514 H ? A ? 56 HB 1
   ATOM 959 HG12 . ILE A 56 ? 6.64734 5.75080 10.34414 1.000 10.84874 H ? A ? 56 HG12 1
   ATOM 960 HG13 . ILE A 56 ? 7.47266 4.77080 9.40400 1.000 10.84874 H ? A ? 56 HG13 1
   ATOM 961 HG21 . ILE A 56 ? 8.98386 6.72804 12.04511 1.000 12.09056 H ? A ? 56 HG21 1
   ATOM 962 HG22 . ILE A 56 ? 9.36232 7.96994 11.12970 1.000 12.09056 H ? A ? 56 HG22 1
   ATOM 963 HG23 . ILE A 56 ? 7.84052 7.67155 11.47410 1.000 12.09056 H ? A ? 56 HG23 1
   ATOM 964 HD11 . ILE A 56 ? 7.04911 3.66487 11.41653 1.000 12.20263 H ? A ? 56 HD11 1
   ATOM 965 HD12 . ILE A 56 ? 8.61138 3.93938 11.33009 1.000 12.20263 H ? A ? 56 HD12 1
   ATOM 966 HD13 . ILE A 56 ? 7.69235 4.86032 12.24155 1.000 12.20263 H ? A ? 56 HD13 1
   ATOM 967 N . ARG A 57 ? 9.82051 6.33891 7.12185 1.000 10.47812 N ? A ? 57 N 1
   ATOM 968 CA . ARG A 57 ? 10.15799 5.75027 5.83963 1.000 9.13667 C ? A ? 57 CA 1
   ATOM 969 C . ARG A 57 ? 9.60227 4.34665 5.61771 1.000 9.24165 C ? A ? 57 C 1
   ATOM 970 O . ARG A 57 ? 9.05368 4.02891 4.56289 1.000 9.23240 O ? A ? 57 O 1
   ATOM 971 CB . ARG A 57 ? 11.69240 5.67442 5.66580 1.000 11.77885 C ? A ? 57 CB 1
   ATOM 972 CG . ARG A 57 ? 12.03823 5.16091 4.29388 1.000 11.85150 C ? A ? 57 CG 1
   ATOM 973 CD . ARG A 57 ? 13.59457 5.23044 4.14950 1.000 14.28200 C ? A ? 57 CD 1
   ATOM 974 NE . ARG A 57 ? 14.01961 4.87615 2.80700 1.000 15.57431 N ? A ? 57 NE 1
   ATOM 975 CZ . ARG A 57 ? 15.27213 5.02545 2.40212 1.000 18.58577 C ? A ? 57 CZ 1
   ATOM 976 NH1 . ARG A 57 ? 16.24720 5.34229 3.27340 1.000 15.42290 N ? A ? 57 NH1 1
   ATOM 977 NH2 . ARG A 57 ? 15.59333 4.71398 1.12212 1.000 17.09852 N ? A ? 57 NH2 1
   ATOM 978 H . ARG A 57 ? 10.50631 6.57741 7.58271 1.000 12.62241 H ? A ? 57 H 1
   ATOM 979 HA . ARG A 57 ? 9.75685 6.33957 5.18182 1.000 11.01268 H ? A ? 57 HA 1
   ATOM 980 HB2 . ARG A 57 ? 12.07565 6.55914 5.77205 1.000 14.18329 H ? A ? 57 HB2 1
   ATOM 981 HB3 . ARG A 57 ? 12.06486 5.06997 6.32672 1.000 14.18329 H ? A ? 57 HB3 1
   ATOM 982 HG2 . ARG A 57 ? 11.74612 4.24128 4.19462 1.000 14.27047 H ? A ? 57 HG2 1
   ATOM 983 HG3 . ARG A 57 ? 11.62630 5.71521 3.61272 1.000 14.27047 H ? A ? 57 HG3 1
   ATOM 984 HD2 . ARG A 57 ? 13.89454 6.13379 4.33627 1.000 17.18708 H ? A ? 57 HD2 1
   ATOM 985 HD3 . ARG A 57 ? 14.00313 4.60965 4.77288 1.000 17.18708 H ? A ? 57 HD3 1
   ATOM 986 HE . ARG A 57 ? 13.43949 4.55914 2.25694 1.000 18.73785 H ? A ? 57 HE 1
   ATOM 987 HH11 . ARG A 57 ? 16.06131 5.45075 4.10603 1.000 18.55616 H ? A ? 57 HH11 1
   ATOM 988 HH12 . ARG A 57 ? 17.05636 5.43635 2.99767 1.000 18.55616 H ? A ? 57 HH12 1
   ATOM 989 HH21 . ARG A 57 ? 14.98744 4.42385 0.58517 1.000 20.56689 H ? A ? 57 HH21 1
   ATOM 990 HH22 . ARG A 57 ? 16.40294 4.80658 0.84724 1.000 20.56689 H ? A ? 57 HH22 1
   ATOM 991 N . GLY A 58 ? 9.74684 3.47687 6.61028 1.000 9.26864 N ? A ? 58 N 1
   ATOM 992 CA . GLY A 58 ? 9.27597 2.09912 6.53593 1.000 8.53751 C ? A ? 58 CA 1
   ATOM 993 C . GLY A 58 ? 7.74696 2.01147 6.37149 1.000 8.30476 C ? A ? 58 C 1
   ATOM 994 O . GLY A 58 ? 7.23551 1.06019 5.77582 1.000 8.45020 O ? A ? 58 O 1
   ATOM 995 H . GLY A 58 ? 10.12480 3.66281 7.36006 1.000 11.17104 H ? A ? 58 H 1
   ATOM 996 HA2 . GLY A 58 ? 9.69119 1.65837 5.77815 1.000 10.29369 H ? A ? 58 HA2 1
   ATOM 997 HA3 . GLY A 58 ? 9.52390 1.63081 7.34840 1.000 10.29369 H ? A ? 58 HA3 1
   ATOM 998 N A PHE A 59 ? 6.99670 2.92925 6.99896 0.903 8.35971 N ? A ? 59 N 1
   ATOM 999 CA A PHE A 59 ? 5.54623 2.92479 6.87266 0.903 8.74629 C ? A ? 59 CA 1
   ATOM 1000 C A PHE A 59 ? 5.15306 3.30743 5.45066 0.903 8.92318 C ? A ? 59 C 1
   ATOM 1001 O A PHE A 59 ? 4.31850 2.67230 4.81664 0.903 9.10857 O ? A ? 59 O 1
   ATOM 1002 CB A PHE A 59 ? 4.92602 3.85188 7.94084 0.903 8.74638 C ? A ? 59 CB 1
   ATOM 1003 CG A PHE A 59 ? 3.41925 3.65634 8.13245 0.903 8.16293 C ? A ? 59 CG 1
   ATOM 1004 CD1 A PHE A 59 ? 2.46957 4.17380 7.27162 0.903 8.76030 C ? A ? 59 CD1 1
   ATOM 1005 CD2 A PHE A 59 ? 2.97480 2.92186 9.22220 0.903 8.59821 C ? A ? 59 CD2 1
   ATOM 1006 CE1 A PHE A 59 ? 1.11963 4.03595 7.58438 0.903 9.09026 C ? A ? 59 CE1 1
   ATOM 1007 CE2 A PHE A 59 ? 1.71974 2.63528 9.42654 0.903 8.63835 C ? A ? 59 CE2 1
   ATOM 1008 CZ A PHE A 59 ? 0.77149 3.19797 8.62836 0.903 8.81797 C ? A ? 59 CZ 1
   ATOM 1009 H A PHE A 59 ? 7.30668 3.55725 7.49809 0.903 10.08033 H ? A ? 59 H 1
   ATOM 1010 HA A PHE A 59 ? 5.18801 2.03969 7.04349 0.903 10.54422 H ? A ? 59 HA 1
   ATOM 1011 HB2 A PHE A 59 ? 5.35716 3.67805 8.79219 0.903 10.54433 H ? A ? 59 HB2 1
   ATOM 1012 HB3 A PHE A 59 ? 5.07312 4.77351 7.67652 0.903 10.54433 H ? A ? 59 HB3 1
   ATOM 1013 HD1 A PHE A 59 ? 2.72936 4.60928 6.49203 0.903 10.56103 H ? A ? 59 HD1 1
   ATOM 1014 HD2 A PHE A 59 ? 3.60325 2.61906 9.83723 0.903 10.36652 H ? A ? 59 HD2 1
   ATOM 1015 HE1 A PHE A 59 ? 0.46917 4.49527 7.10392 0.903 10.95699 H ? A ? 59 HE1 1
   ATOM 1016 HE2 A PHE A 59 ? 1.47508 2.05334 10.10947 0.903 10.41469 H ? A ? 59 HE2 1
   ATOM 1017 HZ A PHE A 59 ? -0.12644 3.01576 8.78779 0.903 10.63024 H ? A ? 59 HZ 1
   ATOM 1018 N B PHE A 59 ? 7.01146 2.93504 6.99480 0.097 8.22670 N ? A ? 59 N 1
   ATOM 1019 CA B PHE A 59 ? 5.55801 2.91336 6.87058 0.097 8.72135 C ? A ? 59 CA 1
   ATOM 1020 C B PHE A 59 ? 5.12978 3.31890 5.46798 0.097 8.93927 C ? A ? 59 C 1
   ATOM 1021 O B PHE A 59 ? 4.25962 2.68777 4.86674 0.097 9.32351 O ? A ? 59 O 1
   ATOM 1022 CB B PHE A 59 ? 4.92904 3.83176 7.92183 0.097 8.71492 C ? A ? 59 CB 1
   ATOM 1023 CG B PHE A 59 ? 3.43787 3.65086 8.08129 0.097 8.34134 C ? A ? 59 CG 1
   ATOM 1024 CD1 B PHE A 59 ? 2.54449 4.21834 7.19011 0.097 9.27470 C ? A ? 59 CD1 1
   ATOM 1025 CD2 B PHE A 59 ? 2.93475 2.90691 9.13344 0.097 8.83112 C ? A ? 59 CD2 1
   ATOM 1026 CE1 B PHE A 59 ? 1.18528 4.06151 7.36065 0.097 9.05889 C ? A ? 59 CE1 1
   ATOM 1027 CE2 B PHE A 59 ? 1.58401 2.72186 9.29131 0.097 8.69182 C ? A ? 59 CE2 1
   ATOM 1028 CZ B PHE A 59 ? 0.70808 3.30376 8.41003 0.097 8.76021 C ? A ? 59 CZ 1
   ATOM 1029 H B PHE A 59 ? 7.32401 3.56956 7.48398 0.097 9.92071 H ? A ? 59 H 1
   ATOM 1030 HA B PHE A 59 ? 5.23587 2.01338 7.03539 0.097 10.51429 H ? A ? 59 HA 1
   ATOM 1031 HB2 B PHE A 59 ? 5.34191 3.65013 8.78058 0.097 10.50658 H ? A ? 59 HB2 1
   ATOM 1032 HB3 B PHE A 59 ? 5.08878 4.75346 7.66523 0.097 10.50658 H ? A ? 59 HB3 1
   ATOM 1033 HD1 B PHE A 59 ? 2.86405 4.71060 6.46868 0.097 11.17831 H ? A ? 59 HD1 1
   ATOM 1034 HD2 B PHE A 59 ? 3.52243 2.52523 9.74488 0.097 10.64602 H ? A ? 59 HD2 1
   ATOM 1035 HE1 B PHE A 59 ? 0.59165 4.46557 6.76969 0.097 10.91935 H ? A ? 59 HE1 1
   ATOM 1036 HE2 B PHE A 59 ? 1.26333 2.20349 9.99370 0.097 10.47886 H ? A ? 59 HE2 1
   ATOM 1037 HZ B PHE A 59 ? -0.20800 3.18726 8.52019 0.097 10.56093 H ? A ? 59 HZ 1
   ATOM 1038 N . GLU A 60 ? 5.71888 4.38932 4.94560 1.000 8.86225 N ? A ? 60 N 1
   ATOM 1039 CA . GLU A 60 ? 5.44544 4.78884 3.58897 1.000 9.43824 C ? A ? 60 CA 1
   ATOM 1040 C . GLU A 60 ? 5.81309 3.72026 2.61086 1.000 9.95384 C ? A ? 60 C 1
   ATOM 1041 O . GLU A 60 ? 5.03030 3.42661 1.70899 1.000 9.96929 O ? A ? 60 O 1
   ATOM 1042 CB . GLU A 60 ? 6.28603 6.00988 3.29765 1.000 11.48040 C ? A ? 60 CB 1
   ATOM 1043 CG . GLU A 60 ? 6.03040 6.50413 1.80876 1.000 13.81400 C ? A ? 60 CG 1
   ATOM 1044 CD . GLU A 60 ? 5.77510 7.94598 1.62483 1.000 17.64958 C ? A ? 60 CD 1
   ATOM 1045 OE1 . GLU A 60 ? 5.57594 8.70882 2.56392 1.000 18.73888 O ? A ? 60 OE1 1
   ATOM 1046 OE2 . GLU A 60 ? 5.77960 8.35960 0.47711 1.000 17.35144 O ? A ? 60 OE2 1
   ATOM 1047 HA . GLU A 60 ? 4.49826 4.97588 3.49534 1.000 11.37456 H ? A ? 60 HA 1
   ATOM 1048 HB2 . GLU A 60 ? 6.04649 6.72407 3.90876 1.000 13.82515 H ? A ? 60 HB2 1
   ATOM 1049 HB3 . GLU A 60 ? 7.22563 5.79005 3.39626 1.000 13.82515 H ? A ? 60 HB3 1
   ATOM 1050 HG2 . GLU A 60 ? 6.81389 6.28554 1.28030 1.000 16.62547 H ? A ? 60 HG2 1
   ATOM 1051 HG3 . GLU A 60 ? 5.25571 6.03307 1.46401 1.000 16.62547 H ? A ? 60 HG3 1
   ATOM 1052 H A GLU A 60 ? 6.26200 4.90455 5.36887 0.903 10.68338 H ? A ? 60 H 1
   ATOM 1053 H B GLU A 60 ? 6.27774 4.89438 5.36056 0.097 10.68338 H ? A ? 60 H 1
   ATOM 1054 N . GLU A 61 ? 7.02611 3.18737 2.70025 1.000 9.27410 N ? A ? 61 N 1
   ATOM 1055 CA . GLU A 61 ? 7.43387 2.22621 1.70934 1.000 9.11965 C ? A ? 61 CA 1
   ATOM 1056 C . GLU A 61 ? 6.69318 0.90790 1.87599 1.000 8.63179 C ? A ? 61 C 1
   ATOM 1057 O . GLU A 61 ? 6.50452 0.17791 0.90928 1.000 8.57512 O ? A ? 61 O 1
   ATOM 1058 CB . GLU A 61 ? 8.93937 1.91903 1.84362 1.000 11.48194 C ? A ? 61 CB 1
   ATOM 1059 CG . GLU A 61 ? 9.76086 3.15047 1.43007 1.000 12.96926 C ? A ? 61 CG 1
   ATOM 1060 CD . GLU A 61 ? 11.26432 2.86831 1.29648 1.000 14.67499 C ? A ? 61 CD 1
   ATOM 1061 OE1 . GLU A 61 ? 11.69550 1.67316 1.31089 1.000 15.14910 O ? A ? 61 OE1 1
   ATOM 1062 OE2 . GLU A 61 ? 11.94599 3.91073 1.21531 1.000 15.48639 O ? A ? 61 OE2 1
   ATOM 1063 H . GLU A 61 ? 7.60775 3.36484 3.30836 1.000 11.17760 H ? A ? 61 H 1
   ATOM 1064 HA . GLU A 61 ? 7.25099 2.60989 0.83742 1.000 10.99225 H ? A ? 61 HA 1
   ATOM 1065 HB2 . GLU A 61 ? 9.14734 1.69941 2.76526 1.000 13.82700 H ? A ? 61 HB2 1
   ATOM 1066 HB3 . GLU A 61 ? 9.17465 1.17723 1.26460 1.000 13.82700 H ? A ? 61 HB3 1
   ATOM 1067 HG2 . GLU A 61 ? 9.44080 3.46604 0.57048 1.000 15.61179 H ? A ? 61 HG2 1
   ATOM 1068 HG3 . GLU A 61 ? 9.64735 3.84212 2.10062 1.000 15.61179 H ? A ? 61 HG3 1
   ATOM 1069 N A GLY A 62 ? 6.25061 0.60186 3.08683 0.158 8.84122 N ? A ? 62 N 1
   ATOM 1070 CA A GLY A 62 ? 5.43317 -0.58332 3.27266 0.158 7.66554 C ? A ? 62 CA 1
   ATOM 1071 C A GLY A 62 ? 4.07633 -0.44268 2.60174 0.158 8.71363 C ? A ? 62 C 1
   ATOM 1072 O A GLY A 62 ? 3.62028 -1.34613 1.90912 0.158 9.07128 O ? A ? 62 O 1
   ATOM 1073 H A GLY A 62 ? 6.40583 1.05373 3.80190 0.158 10.65814 H ? A ? 62 H 1
   ATOM 1074 HA2 A GLY A 62 ? 5.88679 -1.35202 2.89289 0.158 9.24733 H ? A ? 62 HA2 1
   ATOM 1075 HA3 A GLY A 62 ? 5.29422 -0.73513 4.22058 0.158 9.24733 H ? A ? 62 HA3 1
   ATOM 1076 N B GLY A 62 ? 6.25384 0.59951 3.08756 0.842 8.64580 N ? A ? 62 N 1
   ATOM 1077 CA B GLY A 62 ? 5.43669 -0.58762 3.24779 0.842 7.49074 C ? A ? 62 CA 1
   ATOM 1078 C B GLY A 62 ? 4.09654 -0.42637 2.55143 0.842 8.81646 C ? A ? 62 C 1
   ATOM 1079 O B GLY A 62 ? 3.64960 -1.32742 1.85877 0.842 8.38122 O ? A ? 62 O 1
   ATOM 1080 H B GLY A 62 ? 6.40931 1.04506 3.80654 0.842 10.42363 H ? A ? 62 H 1
   ATOM 1081 HA2 B GLY A 62 ? 5.89518 -1.35296 2.86707 0.842 9.03756 H ? A ? 62 HA2 1
   ATOM 1082 HA3 B GLY A 62 ? 5.27971 -0.75063 4.19102 0.842 9.03756 H ? A ? 62 HA3 1
   ATOM 1083 N . VAL A 63 ? 3.42214 0.69900 2.83103 1.000 8.57472 N ? A ? 63 N 1
   ATOM 1084 CA . VAL A 63 ? 2.09483 0.91315 2.23016 1.000 7.73936 C ? A ? 63 CA 1
   ATOM 1085 C . VAL A 63 ? 2.24977 1.00682 0.69239 1.000 8.85265 C ? A ? 63 C 1
   ATOM 1086 O . VAL A 63 ? 1.37330 0.53577 -0.05010 1.000 11.11716 O ? A ? 63 O 1
   ATOM 1087 CB . VAL A 63 ? 1.42198 2.15523 2.82721 1.000 9.83148 C ? A ? 63 CB 1
   ATOM 1088 CG1 . VAL A 63 ? 0.17994 2.53411 1.95837 1.000 10.76259 C ? A ? 63 CG1 1
   ATOM 1089 CG2 . VAL A 63 ? 1.09114 1.89752 4.26178 1.000 10.38602 C ? A ? 63 CG2 1
   ATOM 1090 HA . VAL A 63 ? 1.51871 0.16082 2.43751 1.000 9.33590 H ? A ? 63 HA 1
   ATOM 1091 HB . VAL A 63 ? 2.01415 2.92340 2.81508 1.000 11.84645 H ? A ? 63 HB 1
   ATOM 1092 HG11 . VAL A 63 ? -0.41860 3.08525 2.48646 1.000 12.96378 H ? A ? 63 HG11 1
   ATOM 1093 HG12 . VAL A 63 ? 0.47897 3.02523 1.17717 1.000 12.96378 H ? A ? 63 HG12 1
   ATOM 1094 HG13 . VAL A 63 ? -0.27369 1.72158 1.68464 1.000 12.96378 H ? A ? 63 HG13 1
   ATOM 1095 HG21 . VAL A 63 ? 0.68370 2.69257 4.63966 1.000 12.51190 H ? A ? 63 HG21 1
   ATOM 1096 HG22 . VAL A 63 ? 0.47271 1.15208 4.31426 1.000 12.51190 H ? A ? 63 HG22 1
   ATOM 1097 HG23 . VAL A 63 ? 1.90731 1.68456 4.74076 1.000 12.51190 H ? A ? 63 HG23 1
   ATOM 1098 H A VAL A 63 ? 3.71194 1.34808 3.31509 0.158 10.33833 H ? A ? 63 H 1
   ATOM 1099 H B VAL A 63 ? 3.69885 1.33036 3.34525 0.842 10.33833 H ? A ? 63 H 1
   ATOM 1100 N . ALA A 64 ? 3.32841 1.61799 0.20551 1.000 7.87674 N ? A ? 64 N 1
   ATOM 1101 CA . ALA A 64 ? 3.48253 1.80013 -1.27460 1.000 8.51362 C ? A ? 64 CA 1
   ATOM 1102 C . ALA A 64 ? 3.58753 0.51340 -2.00792 1.000 9.79384 C ? A ? 64 C 1
   ATOM 1103 O . ALA A 64 ? 3.32338 0.50054 -3.23223 1.000 11.33362 O ? A ? 64 O 1
   ATOM 1104 CB . ALA A 64 ? 4.65824 2.69924 -1.51840 1.000 10.66385 C ? A ? 64 CB 1
   ATOM 1105 H . ALA A 64 ? 3.97409 1.93245 0.67859 1.000 9.50076 H ? A ? 64 H 1
   ATOM 1106 HA . ALA A 64 ? 2.69920 2.23552 -1.64574 1.000 10.26502 H ? A ? 64 HA 1
   ATOM 1107 HB1 . ALA A 64 ? 4.76426 2.82838 -2.47390 1.000 12.84530 H ? A ? 64 HB1 1
   ATOM 1108 HB2 . ALA A 64 ? 4.49870 3.55224 -1.08501 1.000 12.84530 H ? A ? 64 HB2 1
   ATOM 1109 HB3 . ALA A 64 ? 5.45432 2.28494 -1.15027 1.000 12.84530 H ? A ? 64 HB3 1
   ATOM 1110 N . GLN A 65 ? 3.99357 -0.58494 -1.36633 1.000 8.35900 N ? A ? 65 N 1
   ATOM 1111 CA . GLN A 65 ? 4.11910 -1.89607 -2.01459 1.000 8.65086 C ? A ? 65 CA 1
   ATOM 1112 C . GLN A 65 ? 2.91263 -2.78155 -1.78796 1.000 8.10398 C ? A ? 65 C 1
   ATOM 1113 O . GLN A 65 ? 2.97940 -4.02020 -2.05782 1.000 9.59337 O ? A ? 65 O 1
   ATOM 1114 CB . GLN A 65 ? 5.39006 -2.60853 -1.60797 1.000 9.12716 C ? A ? 65 CB 1
   ATOM 1115 CG . GLN A 65 ? 5.45391 -3.07549 -0.13904 1.000 9.07037 C ? A ? 65 CG 1
   ATOM 1116 CD . GLN A 65 ? 6.83127 -3.57664 0.24630 1.000 9.51274 C ? A ? 65 CD 1
   ATOM 1117 OE1 . GLN A 65 ? 7.13518 -4.74454 0.10125 1.000 10.00147 O ? A ? 65 OE1 1
   ATOM 1118 NE2 . GLN A 65 ? 7.62023 -2.72468 0.71335 1.000 9.76464 N ? A ? 65 NE2 1
   ATOM 1119 H . GLN A 65 ? 4.20789 -0.59757 -0.53356 1.000 10.07948 H ? A ? 65 H 1
   ATOM 1120 HA . GLN A 65 ? 4.19401 -1.73925 -2.96889 1.000 10.42971 H ? A ? 65 HA 1
   ATOM 1121 HB2 . GLN A 65 ? 5.48884 -3.39642 -2.16509 1.000 11.00126 H ? A ? 65 HB2 1
   ATOM 1122 HB3 . GLN A 65 ? 6.13614 -2.00539 -1.75104 1.000 11.00126 H ? A ? 65 HB3 1
   ATOM 1123 HG2 . GLN A 65 ? 5.23048 -2.33089 0.44109 1.000 10.93312 H ? A ? 65 HG2 1
   ATOM 1124 HG3 . GLN A 65 ? 4.82178 -3.79947 -0.00798 1.000 10.93312 H ? A ? 65 HG3 1
   ATOM 1125 HE21 . GLN A 65 ? 7.36819 -1.90700 0.79984 1.000 11.76624 H ? A ? 65 HE21 1
   ATOM 1126 HE22 . GLN A 65 ? 8.41439 -2.95694 0.94779 1.000 11.76624 H ? A ? 65 HE22 1
   ATOM 1127 N . MET A 66 ? 1.85486 -2.20354 -1.18512 1.000 8.41120 N ? A ? 66 N 1
   ATOM 1128 CA . MET A 66 ? 0.61269 -2.91942 -0.86014 1.000 9.30450 C ? A ? 66 CA 1
   ATOM 1129 C . MET A 66 ? -0.46289 -2.60872 -1.87297 1.000 11.27999 C ? A ? 66 C 1
   ATOM 1130 O . MET A 66 ? -0.49887 -1.49240 -2.40452 1.000 10.56836 O ? A ? 66 O 1
   ATOM 1131 CB . MET A 66 ? 0.11938 -2.58958 0.52636 1.000 8.69600 C ? A ? 66 CB 1
   ATOM 1132 CG . MET A 66 ? 0.98275 -3.16411 1.67862 1.000 9.75336 C ? A ? 66 CG 1
   ATOM 1133 SD . MET A 66 ? 0.63902 -2.63358 3.28806 1.000 8.96427 S ? A ? 66 SD 1
   ATOM 1134 CE . MET A 66 ? -0.88490 -3.26410 3.54810 1.000 11.45763 C ? A ? 66 CE 1
   ATOM 1135 H . MET A 66 ? 1.83653 -1.37641 -0.95032 1.000 10.14212 H ? A ? 66 H 1
   ATOM 1136 HA . MET A 66 ? 0.80062 -3.87084 -0.87993 1.000 11.21408 H ? A ? 66 HA 1
   ATOM 1137 HB2 . MET A 66 ? 0.10470 -1.62484 0.62620 1.000 10.48387 H ? A ? 66 HB2 1
   ATOM 1138 HB3 . MET A 66 ? -0.77662 -2.94722 0.62721 1.000 10.48387 H ? A ? 66 HB3 1
   ATOM 1139 HG2 . MET A 66 ? 0.87727 -4.12835 1.67536 1.000 11.75271 H ? A ? 66 HG2 1
   ATOM 1140 HG3 . MET A 66 ? 1.90732 -2.93090 1.50062 1.000 11.75271 H ? A ? 66 HG3 1
   ATOM 1141 HE1 . MET A 66 ? -1.16781 -3.04476 4.44962 1.000 13.79783 H ? A ? 66 HE1 1
   ATOM 1142 HE2 . MET A 66 ? -1.50026 -2.87819 2.90520 1.000 13.79783 H ? A ? 66 HE2 1
   ATOM 1143 HE3 . MET A 66 ? -0.85139 -4.22714 3.43702 1.000 13.79783 H ? A ? 66 HE3 1
   ATOM 1144 N . SER A 67 ? -1.27851 -3.61753 -2.23040 1.000 9.90538 N ? A ? 67 N 1
   ATOM 1145 CA . SER A 67 ? -2.40731 -3.30042 -3.11532 1.000 11.03007 C ? A ? 67 CA 1
   ATOM 1146 C . SER A 67 ? -3.70486 -3.16125 -2.28839 1.000 12.13497 C ? A ? 67 C 1
   ATOM 1147 O . SER A 67 ? -3.77847 -3.57715 -1.15040 1.000 11.45888 O ? A ? 67 O 1
   ATOM 1148 CB . SER A 67 ? -2.58330 -4.34148 -4.16627 1.000 12.81051 C ? A ? 67 CB 1
   ATOM 1149 OG . SER A 67 ? -2.72659 -5.61853 -3.61410 1.000 11.81506 O ? A ? 67 OG 1
   ATOM 1150 H . SER A 67 ? -1.20013 -4.43862 -1.98695 1.000 11.93513 H ? A ? 67 H 1
   ATOM 1151 HA . SER A 67 ? -2.23108 -2.45903 -3.56466 1.000 13.28476 H ? A ? 67 HA 1
   ATOM 1152 HB2 . SER A 67 ? -3.37852 -4.13339 -4.68129 1.000 15.42128 H ? A ? 67 HB2 1
   ATOM 1153 HB3 . SER A 67 ? -1.80367 -4.33693 -4.74338 1.000 15.42128 H ? A ? 67 HB3 1
   ATOM 1154 HG . SER A 67 ? -2.25986 -6.17054 -4.04194 1.000 14.22675 H ? A ? 67 HG 1
   ATOM 1155 N . VAL A 68 ? -4.71038 -2.50918 -2.86216 1.000 12.77177 N ? A ? 68 N 1
   ATOM 1156 CA . VAL A 68 ? -5.94545 -2.25959 -2.11906 1.000 12.87260 C ? A ? 68 CA 1
   ATOM 1157 C . VAL A 68 ? -6.53337 -3.55201 -1.59073 1.000 14.56434 C ? A ? 68 C 1
   ATOM 1158 O . VAL A 68 ? -6.69242 -4.55258 -2.31393 1.000 12.71318 O ? A ? 68 O 1
   ATOM 1159 CB . VAL A 68 ? -6.94704 -1.49721 -3.00944 1.000 15.18068 C ? A ? 68 CB 1
   ATOM 1160 CG1 . VAL A 68 ? -8.18946 -1.29342 -2.25780 1.000 16.33305 C ? A ? 68 CG1 1
   ATOM 1161 CG2 . VAL A 68 ? -6.47140 -0.15336 -3.33804 1.000 17.05988 C ? A ? 68 CG2 1
   ATOM 1162 H . VAL A 68 ? -4.70584 -2.20484 -3.66649 1.000 15.37480 H ? A ? 68 H 1
   ATOM 1163 HA . VAL A 68 ? -5.73131 -1.71242 -1.34728 1.000 15.49579 H ? A ? 68 HA 1
   ATOM 1164 HB . VAL A 68 ? -7.06977 -2.01807 -3.81848 1.000 18.26549 H ? A ? 68 HB 1
   ATOM 1165 HG11 . VAL A 68 ? -8.71422 -0.60513 -2.69573 1.000 19.64834 H ? A ? 68 HG11 1
   ATOM 1166 HG12 . VAL A 68 ? -8.68671 -2.12604 -2.23792 1.000 19.64834 H ? A ? 68 HG12 1
   ATOM 1167 HG13 . VAL A 68 ? -7.97019 -1.01744 -1.35411 1.000 19.64834 H ? A ? 68 HG13 1
   ATOM 1168 HG21 . VAL A 68 ? -7.10863 0.27018 -3.93424 1.000 20.52053 H ? A ? 68 HG21 1
   ATOM 1169 HG22 . VAL A 68 ? -6.39068 0.36185 -2.52014 1.000 20.52053 H ? A ? 68 HG22 1
   ATOM 1170 HG23 . VAL A 68 ? -5.60686 -0.22181 -3.77253 1.000 20.52053 H ? A ? 68 HG23 1
   ATOM 1171 N . GLY A 69 ? -6.92538 -3.47403 -0.30084 1.000 14.59771 N ? A ? 69 N 1
   ATOM 1172 CA . GLY A 69 ? -7.51301 -4.53663 0.49429 1.000 14.37860 C ? A ? 69 CA 1
   ATOM 1173 C . GLY A 69 ? -6.49056 -5.41435 1.17757 1.000 13.58086 C ? A ? 69 C 1
   ATOM 1174 O . GLY A 69 ? -6.86056 -6.29781 1.98915 1.000 14.99962 O ? A ? 69 O 1
   ATOM 1175 H . GLY A 69 ? -6.84899 -2.75172 0.15963 1.000 17.56593 H ? A ? 69 H 1
   ATOM 1176 HA2 . GLY A 69 ? -8.07835 -4.14399 1.17775 1.000 17.30300 H ? A ? 69 HA2 1
   ATOM 1177 HA3 . GLY A 69 ? -8.05624 -5.09796 -0.08078 1.000 17.30300 H ? A ? 69 HA3 1
   ATOM 1178 N . GLN A 70 ? -5.20496 -5.22742 0.85615 1.000 11.93113 N ? A ? 70 N 1
   ATOM 1179 CA . GLN A 70 ? -4.17539 -6.01642 1.50842 1.000 11.60079 C ? A ? 70 CA 1
   ATOM 1180 C . GLN A 70 ? -4.04661 -5.61720 2.95934 1.000 10.15816 C ? A ? 70 C 1
   ATOM 1181 O . GLN A 70 ? -4.16411 -4.45794 3.30340 1.000 10.51179 O ? A ? 70 O 1
   ATOM 1182 CB . GLN A 70 ? -2.86324 -5.78162 0.76515 1.000 10.26333 C ? A ? 70 CB 1
   ATOM 1183 CG . GLN A 70 ? -1.68665 -6.72551 1.30063 1.000 11.57392 C ? A ? 70 CG 1
   ATOM 1184 CD . GLN A 70 ? -0.44145 -6.60274 0.39344 1.000 10.95320 C ? A ? 70 CD 1
   ATOM 1185 OE1 . GLN A 70 ? -0.47862 -5.92255 -0.65117 1.000 10.87115 O ? A ? 70 OE1 1
   ATOM 1186 NE2 . GLN A 70 ? 0.60839 -7.24523 0.73982 1.000 11.85448 N ? A ? 70 NE2 1
   ATOM 1187 H . GLN A 70 ? -4.91712 -4.66138 0.27620 1.000 14.36603 H ? A ? 70 H 1
   ATOM 1188 HA . GLN A 70 ? -4.39137 -6.96188 1.48964 1.000 13.96962 H ? A ? 70 HA 1
   ATOM 1189 HB2 . GLN A 70 ? -2.99466 -5.96724 -0.17781 1.000 12.36467 H ? A ? 70 HB2 1
   ATOM 1190 HB3 . GLN A 70 ? -2.58999 -4.85888 0.88671 1.000 12.36467 H ? A ? 70 HB3 1
   ATOM 1191 HG2 . GLN A 70 ? -1.44139 -6.46022 2.20084 1.000 13.93737 H ? A ? 70 HG2 1
   ATOM 1192 HG3 . GLN A 70 ? -1.98332 -7.64901 1.29613 1.000 13.93737 H ? A ? 70 HG3 1
   ATOM 1193 HE21 . GLN A 70 ? 0.60367 -7.72329 1.45469 1.000 14.27405 H ? A ? 70 HE21 1
   ATOM 1194 HE22 . GLN A 70 ? 1.31921 -7.19930 0.25792 1.000 14.27405 H ? A ? 70 HE22 1
   ATOM 1195 N . ARG A 71 ? -3.76647 -6.60038 3.84008 1.000 10.09607 N ? A ? 71 N 1
   ATOM 1196 CA . ARG A 71 ? -3.40179 -6.42618 5.22458 1.000 9.93066 C ? A ? 71 CA 1
   ATOM 1197 C . ARG A 71 ? -2.05447 -7.07624 5.40411 1.000 11.16295 C ? A ? 71 C 1
   ATOM 1198 O . ARG A 71 ? -1.81734 -8.14989 4.86712 1.000 10.16162 O ? A ? 71 O 1
   ATOM 1199 CB . ARG A 71 ? -4.42313 -7.10401 6.16134 1.000 11.57516 C ? A ? 71 CB 1
   ATOM 1200 CG . ARG A 71 ? -4.12655 -6.81793 7.60104 1.000 13.13337 C ? A ? 71 CG 1
   ATOM 1201 CD . ARG A 71 ? -5.24222 -7.31473 8.48011 1.000 15.01554 C ? A ? 71 CD 1
   ATOM 1202 NE . ARG A 71 ? -5.01569 -7.05400 9.90773 1.000 15.02867 N ? A ? 71 NE 1
   ATOM 1203 CZ . ARG A 71 ? -5.85745 -7.46661 10.85023 1.000 18.59105 C ? A ? 71 CZ 1
   ATOM 1204 NH1 . ARG A 71 ? -6.99964 -8.08598 10.51035 1.000 22.19538 N ? A ? 71 NH1 1
   ATOM 1205 NH2 . ARG A 71 ? -5.59617 -7.21420 12.14943 1.000 17.96349 N ? A ? 71 NH2 1
   ATOM 1206 H . ARG A 71 ? -3.78793 -7.43253 3.62406 1.000 12.16396 H ? A ? 71 H 1
   ATOM 1207 HA . ARG A 71 ? -3.36400 -5.48607 5.46051 1.000 11.96547 H ? A ? 71 HA 1
   ATOM 1208 HB2 . ARG A 71 ? -5.31168 -6.77061 5.96077 1.000 13.93887 H ? A ? 71 HB2 1
   ATOM 1209 HB3 . ARG A 71 ? -4.39123 -8.06430 6.02822 1.000 13.93887 H ? A ? 71 HB3 1
   ATOM 1210 HG2 . ARG A 71 ? -3.30665 -7.26738 7.85924 1.000 15.80872 H ? A ? 71 HG2 1
   ATOM 1211 HG3 . ARG A 71 ? -4.03495 -5.86088 7.72979 1.000 15.80872 H ? A ? 71 HG3 1
   ATOM 1212 HD2 . ARG A 71 ? -6.06584 -6.87117 8.22359 1.000 18.06732 H ? A ? 71 HD2 1
   ATOM 1213 HD3 . ARG A 71 ? -5.33142 -8.27351 8.36317 1.000 18.06732 H ? A ? 71 HD3 1
   ATOM 1214 HE . ARG A 71 ? -4.31243 -6.61825 10.14258 1.000 18.08308 H ? A ? 71 HE 1
   ATOM 1215 HH11 . ARG A 71 ? -7.18784 -8.21644 9.68140 1.000 26.68314 H ? A ? 71 HH11 1
   ATOM 1216 HH12 . ARG A 71 ? -7.54284 -8.35213 11.12166 1.000 26.68314 H ? A ? 71 HH12 1
   ATOM 1217 HH21 . ARG A 71 ? -4.88381 -6.78553 12.36938 1.000 21.60487 H ? A ? 71 HH21 1
   ATOM 1218 HH22 . ARG A 71 ? -6.14198 -7.48197 12.75771 1.000 21.60487 H ? A ? 71 HH22 1
   ATOM 1219 N . ALA A 72 ? -1.12332 -6.41659 6.10589 1.000 10.66874 N ? A ? 72 N 1
   ATOM 1220 CA . ALA A 72 ? 0.20857 -6.97174 6.19201 1.000 9.37003 C ? A ? 72 CA 1
   ATOM 1221 C . ALA A 72 ? 0.87791 -6.59206 7.50861 1.000 9.53819 C ? A ? 72 C 1
   ATOM 1222 O . ALA A 72 ? 0.54396 -5.56948 8.11806 1.000 10.24833 O ? A ? 72 O 1
   ATOM 1223 CB . ALA A 72 ? 1.12405 -6.46292 5.07447 1.000 10.67371 C ? A ? 72 CB 1
   ATOM 1224 H . ALA A 72 ? -1.24572 -5.67375 6.52159 1.000 12.85116 H ? A ? 72 H 1
   ATOM 1225 HA . ALA A 72 ? 0.10089 -7.93454 6.14384 1.000 11.29271 H ? A ? 72 HA 1
   ATOM 1226 HB1 . ALA A 72 ? 2.00355 -6.85752 5.18247 1.000 12.85712 H ? A ? 72 HB1 1
   ATOM 1227 HB2 . ALA A 72 ? 0.74916 -6.71990 4.21755 1.000 12.85712 H ? A ? 72 HB2 1
   ATOM 1228 HB3 . ALA A 72 ? 1.18571 -5.49660 5.13213 1.000 12.85712 H ? A ? 72 HB3 1
   ATOM 1229 N A LYS A 73 ? 1.80268 -7.42517 7.93100 0.466 9.78071 N ? A ? 73 N 1
   ATOM 1230 CA A LYS A 73 ? 2.73570 -7.12092 9.00874 0.466 9.68316 C ? A ? 73 CA 1
   ATOM 1231 C A LYS A 73 ? 3.94378 -6.41180 8.41488 0.466 9.87097 C ? A ? 73 C 1
   ATOM 1232 O A LYS A 73 ? 4.56775 -6.93563 7.50193 0.466 10.07591 O ? A ? 73 O 1
   ATOM 1233 CB A LYS A 73 ? 3.20303 -8.39110 9.71470 0.466 10.21163 C ? A ? 73 CB 1
   ATOM 1234 CG A LYS A 73 ? 4.05115 -8.10115 10.91909 0.466 11.06989 C ? A ? 73 CG 1
   ATOM 1235 CD A LYS A 73 ? 4.65697 -9.43446 11.48152 0.466 12.81433 C ? A ? 73 CD 1
   ATOM 1236 CE A LYS A 73 ? 5.39062 -9.18936 12.68389 0.466 14.44087 C ? A ? 73 CE 1
   ATOM 1237 NZ A LYS A 73 ? 6.04016 -10.53030 13.15820 0.466 16.31023 N ? A ? 73 NZ 1
   ATOM 1238 H A LYS A 73 ? 1.92091 -8.20969 7.59912 0.466 11.78553 H ? A ? 73 H 1
   ATOM 1239 HA A LYS A 73 ? 2.29312 -6.55015 9.65623 0.466 11.66846 H ? A ? 73 HA 1
   ATOM 1240 HB2 A LYS A 73 ? 2.42711 -8.89466 10.00672 0.466 12.30263 H ? A ? 73 HB2 1
   ATOM 1241 HB3 A LYS A 73 ? 3.72929 -8.92160 9.09622 0.466 12.30263 H ? A ? 73 HB3 1
   ATOM 1242 HG2 A LYS A 73 ? 4.77839 -7.50869 10.67207 0.466 13.33254 H ? A ? 73 HG2 1
   ATOM 1243 HG3 A LYS A 73 ? 3.50844 -7.69007 11.61002 0.466 13.33254 H ? A ? 73 HG3 1
   ATOM 1244 HD2 A LYS A 73 ? 3.94072 -10.05796 11.67932 0.466 15.42587 H ? A ? 73 HD2 1
   ATOM 1245 HD3 A LYS A 73 ? 5.25967 -9.81871 10.82577 0.466 15.42587 H ? A ? 73 HD3 1
   ATOM 1246 HE2 A LYS A 73 ? 6.09135 -8.53943 12.51812 0.466 17.37772 H ? A ? 73 HE2 1
   ATOM 1247 HE3 A LYS A 73 ? 4.79380 -8.86448 13.37610 0.466 17.37772 H ? A ? 73 HE3 1
   ATOM 1248 HZ1 A LYS A 73 ? 6.15474 -10.51760 14.04070 0.466 19.62095 H ? A ? 73 HZ1 1
   ATOM 1249 HZ2 A LYS A 73 ? 5.51379 -11.21559 12.94511 0.466 19.62095 H ? A ? 73 HZ2 1
   ATOM 1250 HZ3 A LYS A 73 ? 6.83130 -10.64084 12.76578 0.466 19.62095 H ? A ? 73 HZ3 1
   ATOM 1251 N B LYS A 73 ? 1.84693 -7.39119 7.88492 0.534 9.77034 N ? A ? 73 N 1
   ATOM 1252 CA B LYS A 73 ? 2.75719 -7.13056 8.99055 0.534 9.69011 C ? A ? 73 CA 1
   ATOM 1253 C B LYS A 73 ? 4.02135 -6.45560 8.47077 0.534 9.88151 C ? A ? 73 C 1
   ATOM 1254 O B LYS A 73 ? 4.78348 -7.06117 7.70703 0.534 10.01811 O ? A ? 73 O 1
   ATOM 1255 CB B LYS A 73 ? 3.14174 -8.43283 9.68096 0.534 10.18874 C ? A ? 73 CB 1
   ATOM 1256 CG B LYS A 73 ? 4.02244 -8.22719 10.82805 0.534 11.09106 C ? A ? 73 CG 1
   ATOM 1257 CD B LYS A 73 ? 4.57746 -9.62727 11.28554 0.534 12.71417 C ? A ? 73 CD 1
   ATOM 1258 CE B LYS A 73 ? 5.55438 -9.47916 12.24542 0.534 14.31090 C ? A ? 73 CE 1
   ATOM 1259 NZ B LYS A 73 ? 6.04254 -10.78821 12.73838 0.534 16.15125 N ? A ? 73 NZ 1
   ATOM 1260 H B LYS A 73 ? 2.01406 -8.13963 7.49567 0.534 11.77308 H ? A ? 73 H 1
   ATOM 1261 HA B LYS A 73 ? 2.31868 -6.53720 9.62027 0.534 11.67681 H ? A ? 73 HA 1
   ATOM 1262 HB2 B LYS A 73 ? 2.33655 -8.87265 9.99580 0.534 12.27516 H ? A ? 73 HB2 1
   ATOM 1263 HB3 B LYS A 73 ? 3.60398 -9.00199 9.04590 0.534 12.27516 H ? A ? 73 HB3 1
   ATOM 1264 HG2 B LYS A 73 ? 4.76617 -7.65652 10.57883 0.534 13.35795 H ? A ? 73 HG2 1
   ATOM 1265 HG3 B LYS A 73 ? 3.52782 -7.82678 11.56012 0.534 13.35795 H ? A ? 73 HG3 1
   ATOM 1266 HD2 B LYS A 73 ? 3.85512 -10.15466 11.66102 0.534 15.30568 H ? A ? 73 HD2 1
   ATOM 1267 HD3 B LYS A 73 ? 4.96270 -10.08732 10.52340 0.534 15.30568 H ? A ? 73 HD3 1
   ATOM 1268 HE2 B LYS A 73 ? 6.30604 -8.99782 11.86566 0.534 17.22176 H ? A ? 73 HE2 1
   ATOM 1269 HE3 B LYS A 73 ? 5.19145 -8.98692 12.99834 0.534 17.22176 H ? A ? 73 HE3 1
   ATOM 1270 HZ1 B LYS A 73 ? 6.73249 -10.66856 13.28770 0.534 19.43017 H ? A ? 73 HZ1 1
   ATOM 1271 HZ2 B LYS A 73 ? 5.39319 -11.20941 13.17774 0.534 19.43017 H ? A ? 73 HZ2 1
   ATOM 1272 HZ3 B LYS A 73 ? 6.30283 -11.29354 12.05355 0.534 19.43017 H ? A ? 73 HZ3 1
   ATOM 1273 N . LEU A 74 ? 4.27865 -5.21505 8.93029 1.000 9.12350 N ? A ? 74 N 1
   ATOM 1274 CA . LEU A 74 ? 5.42834 -4.41431 8.47856 1.000 8.62111 C ? A ? 74 CA 1
   ATOM 1275 C . LEU A 74 ? 6.43665 -4.45126 9.63261 1.000 8.84937 C ? A ? 74 C 1
   ATOM 1276 O . LEU A 74 ? 6.10346 -4.00329 10.73047 1.000 10.00701 O ? A ? 74 O 1
   ATOM 1277 CB . LEU A 74 ? 5.03655 -2.95580 8.18370 1.000 8.16616 C ? A ? 74 CB 1
   ATOM 1278 CG . LEU A 74 ? 4.35883 -2.65971 6.86188 1.000 9.27777 C ? A ? 74 CG 1
   ATOM 1279 CD1 . LEU A 74 ? 3.24949 -3.41814 6.49884 1.000 12.57753 C ? A ? 74 CD1 1
   ATOM 1280 CD2 . LEU A 74 ? 4.06068 -1.09839 6.84502 1.000 9.63637 C ? A ? 74 CD2 1
   ATOM 1281 HA . LEU A 74 ? 5.80068 -4.78350 7.66250 1.000 10.39401 H ? A ? 74 HA 1
   ATOM 1282 HB2 . LEU A 74 ? 4.42717 -2.66702 8.88096 1.000 9.84806 H ? A ? 74 HB2 1
   ATOM 1283 HB3 . LEU A 74 ? 5.84598 -2.42185 8.20844 1.000 9.84806 H ? A ? 74 HB3 1
   ATOM 1284 HG . LEU A 74 ? 4.97038 -2.93517 6.16115 1.000 11.18200 H ? A ? 74 HG 1
   ATOM 1285 HD11 . LEU A 74 ? 2.94239 -3.13026 5.62493 1.000 15.14171 H ? A ? 74 HD11 1
   ATOM 1286 HD12 . LEU A 74 ? 3.50291 -4.35397 6.46866 1.000 15.14171 H ? A ? 74 HD12 1
   ATOM 1287 HD13 . LEU A 74 ? 2.54814 -3.28640 7.15585 1.000 15.14171 H ? A ? 74 HD13 1
   ATOM 1288 HD21 . LEU A 74 ? 3.59761 -0.87417 6.02271 1.000 11.61232 H ? A ? 74 HD21 1
   ATOM 1289 HD22 . LEU A 74 ? 3.50597 -0.87454 7.60862 1.000 11.61232 H ? A ? 74 HD22 1
   ATOM 1290 HD23 . LEU A 74 ? 4.90077 -0.61591 6.89368 1.000 11.61232 H ? A ? 74 HD23 1
   ATOM 1291 H A LEU A 74 ? 3.83853 -4.83530 9.56407 0.466 10.99688 H ? A ? 74 H 1
   ATOM 1292 H B LEU A 74 ? 3.79167 -4.81226 9.51356 0.534 10.99688 H ? A ? 74 H 1
   ATOM 1293 N . THR A 75 ? 7.62525 -4.97183 9.43194 1.000 8.62611 N ? A ? 75 N 1
   ATOM 1294 CA . THR A 75 ? 8.64903 -4.95756 10.47098 1.000 8.88737 C ? A ? 75 CA 1
   ATOM 1295 C . THR A 75 ? 9.63886 -3.90864 10.00705 1.000 9.78800 C ? A ? 75 C 1
   ATOM 1296 O . THR A 75 ? 10.24719 -4.05102 8.94955 1.000 9.59852 O ? A ? 75 O 1
   ATOM 1297 CB . THR A 75 ? 9.31923 -6.29746 10.60941 1.000 11.70710 C ? A ? 75 CB 1
   ATOM 1298 OG1 . THR A 75 ? 8.35541 -7.23995 11.02945 1.000 11.13043 O ? A ? 75 OG1 1
   ATOM 1299 CG2 . THR A 75 ? 10.42126 -6.20508 11.62274 1.000 13.65595 C ? A ? 75 CG2 1
   ATOM 1300 H . THR A 75 ? 7.87248 -5.34458 8.69741 1.000 10.40000 H ? A ? 75 H 1
   ATOM 1301 HA . THR A 75 ? 8.28029 -4.74296 11.34211 1.000 10.71352 H ? A ? 75 HA 1
   ATOM 1302 HB . THR A 75 ? 9.70395 -6.58315 9.76604 1.000 14.09720 H ? A ? 75 HB 1
   ATOM 1303 HG1 . THR A 75 ? 8.03552 -7.01228 11.77204 1.000 13.40519 H ? A ? 75 HG1 1
   ATOM 1304 HG21 . THR A 75 ? 10.77194 -7.08922 11.81304 1.000 16.43581 H ? A ? 75 HG21 1
   ATOM 1305 HG22 . THR A 75 ? 11.13897 -5.64827 11.28251 1.000 16.43581 H ? A ? 75 HG22 1
   ATOM 1306 HG23 . THR A 75 ? 10.08411 -5.81644 12.44505 1.000 16.43581 H ? A ? 75 HG23 1
   ATOM 1307 N . ILE A 76 ? 9.76070 -2.85002 10.73669 1.000 8.62218 N ? A ? 76 N 1
   ATOM 1308 CA . ILE A 76 ? 10.52269 -1.68043 10.29500 1.000 9.09794 C ? A ? 76 CA 1
   ATOM 1309 C . ILE A 76 ? 11.76356 -1.46938 11.16757 1.000 9.34535 C ? A ? 76 C 1
   ATOM 1310 O . ILE A 76 ? 11.67111 -1.32509 12.37826 1.000 8.72541 O ? A ? 76 O 1
   ATOM 1311 CB . ILE A 76 ? 9.67252 -0.42396 10.37979 1.000 8.83366 C ? A ? 76 CB 1
   ATOM 1312 CG1 . ILE A 76 ? 8.37104 -0.53368 9.58248 1.000 8.30482 C ? A ? 76 CG1 1
   ATOM 1313 CG2 . ILE A 76 ? 10.49457 0.78521 9.89484 1.000 8.62406 C ? A ? 76 CG2 1
   ATOM 1314 CD1 . ILE A 76 ? 7.44525 0.65730 9.79695 1.000 8.39518 C ? A ? 76 CD1 1
   ATOM 1315 H . ILE A 76 ? 9.40943 -2.76145 11.51667 1.000 10.39529 H ? A ? 76 H 1
   ATOM 1316 HA . ILE A 76 ? 10.81781 -1.86277 9.38915 1.000 10.96621 H ? A ? 76 HA 1
   ATOM 1317 HB . ILE A 76 ? 9.42039 -0.30854 11.30931 1.000 10.64907 H ? A ? 76 HB 1
   ATOM 1318 HG12 . ILE A 76 ? 8.58316 -0.58256 8.63723 1.000 10.01446 H ? A ? 76 HG12 1
   ATOM 1319 HG13 . ILE A 76 ? 7.89852 -1.33464 9.85831 1.000 10.01446 H ? A ? 76 HG13 1
   ATOM 1320 HG21 . ILE A 76 ? 9.93918 1.57964 9.93108 1.000 10.39755 H ? A ? 76 HG21 1
   ATOM 1321 HG22 . ILE A 76 ? 11.26627 0.89449 10.47228 1.000 10.39755 H ? A ? 76 HG22 1
   ATOM 1322 HG23 . ILE A 76 ? 10.78382 0.62514 8.98291 1.000 10.39755 H ? A ? 76 HG23 1
   ATOM 1323 HD11 . ILE A 76 ? 6.58284 0.46280 9.39780 1.000 10.12289 H ? A ? 76 HD11 1
   ATOM 1324 HD12 . ILE A 76 ? 7.34214 0.80966 10.74934 1.000 10.12289 H ? A ? 76 HD12 1
   ATOM 1325 HD13 . ILE A 76 ? 7.83511 1.43998 9.37705 1.000 10.12289 H ? A ? 76 HD13 1
   ATOM 1326 N . SER A 77 ? 12.92694 -1.53387 10.56773 1.000 10.87621 N ? A ? 77 N 1
   ATOM 1327 CA . SER A 77 ? 14.20035 -1.34151 11.28101 1.000 11.30263 C ? A ? 77 CA 1
   ATOM 1328 C . SER A 77 ? 14.31637 0.05050 11.82021 1.000 10.02341 C ? A ? 77 C 1
   ATOM 1329 O . SER A 77 ? 13.72933 0.95896 11.29301 1.000 10.39498 O ? A ? 77 O 1
   ATOM 1330 CB . SER A 77 ? 15.37612 -1.58845 10.32245 1.000 13.69453 C ? A ? 77 CB 1
   ATOM 1331 OG . SER A 77 ? 15.48374 -0.54716 9.31606 1.000 16.99735 O ? A ? 77 OG 1
   ATOM 1332 H . SER A 77 ? 13.02696 -1.69070 9.72808 1.000 13.10013 H ? A ? 77 H 1
   ATOM 1333 HA . SER A 77 ? 14.23946 -1.96568 12.02248 1.000 13.61183 H ? A ? 77 HA 1
   ATOM 1334 HB2 . SER A 77 ? 16.19807 -1.61022 10.83705 1.000 16.48211 H ? A ? 77 HB2 1
   ATOM 1335 HB3 . SER A 77 ? 15.24107 -2.43937 9.87681 1.000 16.48211 H ? A ? 77 HB3 1
   ATOM 1336 HG . SER A 77 ? 14.79541 -0.54066 8.83464 1.000 20.44549 H ? A ? 77 HG 1
   ATOM 1337 N . PRO A 78 ? 15.15472 0.28122 12.83022 1.000 10.50200 N ? A ? 78 N 1
   ATOM 1338 CA . PRO A 78 ? 15.20158 1.65049 13.36560 1.000 11.13113 C ? A ? 78 CA 1
   ATOM 1339 C . PRO A 78 ? 15.54791 2.70304 12.31811 1.000 11.08268 C ? A ? 78 C 1
   ATOM 1340 O . PRO A 78 ? 15.06695 3.84283 12.40741 1.000 10.19671 O ? A ? 78 O 1
   ATOM 1341 CB . PRO A 78 ? 16.26656 1.59302 14.46516 1.000 11.09578 C ? A ? 78 CB 1
   ATOM 1342 CG . PRO A 78 ? 16.40759 0.20346 14.80422 1.000 12.57010 C ? A ? 78 CG 1
   ATOM 1343 CD . PRO A 78 ? 15.92511 -0.69634 13.63428 1.000 13.35641 C ? A ? 78 CD 1
   ATOM 1344 HA . PRO A 78 ? 14.34334 1.85311 13.76965 1.000 13.40603 H ? A ? 78 HA 1
   ATOM 1345 HB2 . PRO A 78 ? 17.10279 1.95150 14.12882 1.000 13.36361 H ? A ? 78 HB2 1
   ATOM 1346 HB3 . PRO A 78 ? 15.97074 2.10613 15.23335 1.000 13.36361 H ? A ? 78 HB3 1
   ATOM 1347 HG2 . PRO A 78 ? 17.34322 0.02526 14.98789 1.000 15.13279 H ? A ? 78 HG2 1
   ATOM 1348 HG3 . PRO A 78 ? 15.87437 0.02419 15.59445 1.000 15.13279 H ? A ? 78 HG3 1
   ATOM 1349 HD2 . PRO A 78 ? 16.67298 -1.05687 13.13266 1.000 16.07636 H ? A ? 78 HD2 1
   ATOM 1350 HD3 . PRO A 78 ? 15.35994 -1.41790 13.95180 1.000 16.07636 H ? A ? 78 HD3 1
   ATOM 1351 N . ASP A 79 ? 16.42277 2.40872 11.37410 1.000 11.61897 N ? A ? 79 N 1
   ATOM 1352 CA . ASP A 79 ? 16.82657 3.46637 10.45673 1.000 14.29124 C ? A ? 79 CA 1
   ATOM 1353 C . ASP A 79 ? 15.69293 3.86169 9.54479 1.000 13.22213 C ? A ? 79 C 1
   ATOM 1354 O . ASP A 79 ? 15.71834 4.96822 8.99858 1.000 14.55249 O ? A ? 79 O 1
   ATOM 1355 CB . ASP A 79 ? 18.01947 3.00553 9.62340 1.000 18.94493 C ? A ? 79 CB 1
   ATOM 1356 CG . ASP A 79 ? 18.19740 3.82371 8.28243 1.000 26.17119 C ? A ? 79 CG 1
   ATOM 1357 OD1 . ASP A 79 ? 18.48040 3.23275 7.21485 1.000 39.86234 O ? A ? 79 OD1 1
   ATOM 1358 OD2 . ASP A 79 ? 18.06636 5.08046 8.28623 1.000 37.17984 O ? A ? 79 OD2 1
   ATOM 1359 H . ASP A 79 ? 16.78441 1.63914 11.24537 1.000 13.99144 H ? A ? 79 H 1
   ATOM 1360 HA . ASP A 79 ? 17.10220 4.24502 10.96529 1.000 17.19816 H ? A ? 79 HA 1
   ATOM 1361 HB2 . ASP A 79 ? 18.82880 3.11263 10.14725 1.000 22.78258 H ? A ? 79 HB2 1
   ATOM 1362 HB3 . ASP A 79 ? 17.89714 2.07230 9.38888 1.000 22.78258 H ? A ? 79 HB3 1
   ATOM 1363 N . TYR A 80 ? 14.71485 3.00679 9.37534 1.000 10.24899 N ? A ? 80 N 1
   ATOM 1364 CA . TYR A 80 ? 13.50447 3.31622 8.60122 1.000 12.57386 C ? A ? 80 CA 1
   ATOM 1365 C . TYR A 80 ? 12.33482 3.77848 9.51237 1.000 10.04744 C ? A ? 80 C 1
   ATOM 1366 O . TYR A 80 ? 11.18705 3.96134 9.01930 1.000 9.30013 O ? A ? 80 O 1
   ATOM 1367 CB . TYR A 80 ? 13.04262 2.09337 7.77903 1.000 10.77880 C ? A ? 80 CB 1
   ATOM 1368 CG . TYR A 80 ? 13.81817 1.96788 6.44816 1.000 11.57364 C ? A ? 80 CG 1
   ATOM 1369 CD1 . TYR A 80 ? 15.15404 2.12778 6.37846 1.000 15.19718 C ? A ? 80 CD1 1
   ATOM 1370 CD2 . TYR A 80 ? 13.13008 1.71665 5.29019 1.000 13.21852 C ? A ? 80 CD2 1
   ATOM 1371 CE1 . TYR A 80 ? 15.80582 2.02488 5.14439 1.000 16.74739 C ? A ? 80 CE1 1
   ATOM 1372 CE2 . TYR A 80 ? 13.76698 1.62833 4.05098 1.000 13.99989 C ? A ? 80 CE2 1
   ATOM 1373 CZ . TYR A 80 ? 15.09347 1.79132 4.00458 1.000 15.38556 C ? A ? 80 CZ 1
   ATOM 1374 OH . TYR A 80 ? 15.71768 1.68007 2.78731 1.000 17.30182 O ? A ? 80 OH 1
   ATOM 1375 H . TYR A 80 ? 14.71445 2.21177 9.70330 1.000 12.34746 H ? A ? 80 H 1
   ATOM 1376 HA . TYR A 80 ? 13.72452 4.02583 7.97757 1.000 15.13731 H ? A ? 80 HA 1
   ATOM 1377 HB2 . TYR A 80 ? 13.19286 1.28630 8.29572 1.000 12.98323 H ? A ? 80 HB2 1
   ATOM 1378 HB3 . TYR A 80 ? 12.09906 2.18493 7.57359 1.000 12.98323 H ? A ? 80 HB3 1
   ATOM 1379 HD1 . TYR A 80 ? 15.64244 2.30631 7.14949 1.000 18.28529 H ? A ? 80 HD1 1
   ATOM 1380 HD2 . TYR A 80 ? 12.20819 1.60114 5.33109 1.000 15.91089 H ? A ? 80 HD2 1
   ATOM 1381 HE1 . TYR A 80 ? 16.73030 2.11628 5.10100 1.000 20.14554 H ? A ? 80 HE1 1
   ATOM 1382 HE2 . TYR A 80 ? 13.28047 1.46020 3.27642 1.000 16.84854 H ? A ? 80 HE2 1
   ATOM 1383 HH . TYR A 80 ? 16.36336 1.14570 2.84331 1.000 20.81086 H ? A ? 80 HH 1
   ATOM 1384 N A ALA A 81 ? 12.60815 3.98405 10.80311 0.161 10.33151 N ? A ? 81 N 1
   ATOM 1385 CA A ALA A 81 ? 11.59040 4.40410 11.76682 0.161 9.62983 C ? A ? 81 CA 1
   ATOM 1386 C A ALA A 81 ? 11.97436 5.70871 12.44999 0.161 9.94539 C ? A ? 81 C 1
   ATOM 1387 O A ALA A 81 ? 11.89256 6.76764 11.81745 0.161 9.85147 O ? A ? 81 O 1
   ATOM 1388 CB A ALA A 81 ? 11.35555 3.30593 12.79697 0.161 9.53914 C ? A ? 81 CB 1
   ATOM 1389 H A ALA A 81 ? 13.38853 3.88522 11.15072 0.161 12.44649 H ? A ? 81 H 1
   ATOM 1390 HA A ALA A 81 ? 10.75809 4.56082 11.29395 0.161 11.60447 H ? A ? 81 HA 1
   ATOM 1391 HB1 A ALA A 81 ? 10.69867 3.61270 13.44141 0.161 11.49565 H ? A ? 81 HB1 1
   ATOM 1392 HB2 A ALA A 81 ? 11.02921 2.51265 12.34409 0.161 11.49565 H ? A ? 81 HB2 1
   ATOM 1393 HB3 A ALA A 81 ? 12.19275 3.10973 13.24585 0.161 11.49565 H ? A ? 81 HB3 1
   ATOM 1394 N B ALA A 81 ? 12.62723 3.96365 10.78137 0.839 10.30367 N ? A ? 81 N 1
   ATOM 1395 CA B ALA A 81 ? 11.62306 4.44245 11.75984 0.839 9.61096 C ? A ? 81 CA 1
   ATOM 1396 C B ALA A 81 ? 12.17230 5.68185 12.41903 0.839 10.02573 C ? A ? 81 C 1
   ATOM 1397 O B ALA A 81 ? 12.42001 6.66841 11.74106 0.839 9.97873 O ? A ? 81 O 1
   ATOM 1398 CB B ALA A 81 ? 11.21758 3.33751 12.69123 0.839 9.52796 C ? A ? 81 CB 1
   ATOM 1399 H B ALA A 81 ? 13.40384 3.82276 11.12289 0.839 12.41308 H ? A ? 81 H 1
   ATOM 1400 HA B ALA A 81 ? 10.83227 4.70987 11.26584 0.839 11.58183 H ? A ? 81 HA 1
   ATOM 1401 HB1 B ALA A 81 ? 10.51532 3.66030 13.27734 0.839 11.48223 H ? A ? 81 HB1 1
   ATOM 1402 HB2 B ALA A 81 ? 10.89361 2.58712 12.16888 0.839 11.48223 H ? A ? 81 HB2 1
   ATOM 1403 HB3 B ALA A 81 ? 11.98788 3.06767 13.21537 0.839 11.48223 H ? A ? 81 HB3 1
   ATOM 1404 N . TYR A 82 ? 12.38077 5.65292 13.72840 1.000 9.11986 N ? A ? 82 N 1
   ATOM 1405 CA . TYR A 82 ? 12.78928 6.85530 14.45437 1.000 9.08640 C ? A ? 82 CA 1
   ATOM 1406 C . TYR A 82 ? 14.26909 6.84814 14.85006 1.000 11.56607 C ? A ? 82 C 1
   ATOM 1407 O . TYR A 82 ? 14.72370 7.77521 15.53107 1.000 10.83017 O ? A ? 82 O 1
   ATOM 1408 CB . TYR A 82 ? 11.89684 7.06466 15.67287 1.000 9.21335 C ? A ? 82 CB 1
   ATOM 1409 CG . TYR A 82 ? 10.41961 7.22450 15.31088 1.000 9.21948 C ? A ? 82 CG 1
   ATOM 1410 CD1 . TYR A 82 ? 9.95075 8.47309 14.92118 1.000 10.52772 C ? A ? 82 CD1 1
   ATOM 1411 CD2 . TYR A 82 ? 9.54265 6.18360 15.38013 1.000 9.35423 C ? A ? 82 CD2 1
   ATOM 1412 CE1 . TYR A 82 ? 8.66687 8.66927 14.51026 1.000 9.70121 C ? A ? 82 CE1 1
   ATOM 1413 CE2 . TYR A 82 ? 8.16906 6.40674 15.13156 1.000 9.46321 C ? A ? 82 CE2 1
   ATOM 1414 CZ . TYR A 82 ? 7.75870 7.63167 14.68420 1.000 10.73569 C ? A ? 82 CZ 1
   ATOM 1415 OH . TYR A 82 ? 6.47225 7.80814 14.37694 1.000 12.14456 O ? A ? 82 OH 1
   ATOM 1416 HA . TYR A 82 ? 12.66436 7.62083 13.87192 1.000 10.95235 H ? A ? 82 HA 1
   ATOM 1417 HB2 . TYR A 82 ? 11.97988 6.29670 16.25959 1.000 11.10469 H ? A ? 82 HB2 1
   ATOM 1418 HB3 . TYR A 82 ? 12.18016 7.86835 16.13624 1.000 11.10469 H ? A ? 82 HB3 1
   ATOM 1419 HD1 . TYR A 82 ? 10.53238 9.19848 14.94154 1.000 12.68194 H ? A ? 82 HD1 1
   ATOM 1420 HD2 . TYR A 82 ? 9.84659 5.33010 15.59003 1.000 11.27375 H ? A ? 82 HD2 1
   ATOM 1421 HE1 . TYR A 82 ? 8.40563 9.47417 14.12451 1.000 11.69013 H ? A ? 82 HE1 1
   ATOM 1422 HE2 . TYR A 82 ? 7.55031 5.72659 15.27105 1.000 11.40452 H ? A ? 82 HE2 1
   ATOM 1423 HH . TYR A 82 ? 6.13573 7.08219 14.12130 1.000 14.62214 H ? A ? 82 HH 1
   ATOM 1424 H A TYR A 82 ? 12.42651 4.92932 14.19090 0.161 10.99251 H ? A ? 82 H 1
   ATOM 1425 H B TYR A 82 ? 12.29320 4.95249 14.21965 0.839 10.99251 H ? A ? 82 H 1
   ATOM 1426 N . GLY A 83 ? 15.03528 5.84694 14.39318 1.000 11.83711 N ? A ? 83 N 1
   ATOM 1427 CA . GLY A 83 ? 16.50698 5.90110 14.39629 1.000 12.61532 C ? A ? 83 CA 1
   ATOM 1428 C . GLY A 83 ? 17.05569 6.03219 15.79019 1.000 11.40083 C ? A ? 83 C 1
   ATOM 1429 O . GLY A 83 ? 16.47858 5.53400 16.73393 1.000 9.85498 O ? A ? 83 O 1
   ATOM 1430 H . GLY A 83 ? 14.72465 5.11274 14.07060 1.000 14.25320 H ? A ? 83 H 1
   ATOM 1431 HA2 . GLY A 83 ? 16.86180 5.08984 14.00023 1.000 15.18705 H ? A ? 83 HA2 1
   ATOM 1432 HA3 . GLY A 83 ? 16.80416 6.66319 13.87495 1.000 15.18705 H ? A ? 83 HA3 1
   ATOM 1433 N . ALA A 84 ? 18.19992 6.67496 15.92175 1.000 13.46407 N ? A ? 84 N 1
   ATOM 1434 CA . ALA A 84 ? 18.86024 6.80322 17.20825 1.000 12.97228 C ? A ? 84 CA 1
   ATOM 1435 C . ALA A 84 ? 18.18356 7.81331 18.10769 1.000 13.74818 C ? A ? 84 C 1
   ATOM 1436 O . ALA A 84 ? 18.42726 7.75377 19.30224 1.000 13.47725 O ? A ? 84 O 1
   ATOM 1437 CB . ALA A 84 ? 20.33035 7.17778 16.97630 1.000 16.51564 C ? A ? 84 CB 1
   ATOM 1438 H . ALA A 84 ? 18.62254 7.05185 15.27449 1.000 16.20556 H ? A ? 84 H 1
   ATOM 1439 HA . ALA A 84 ? 18.83365 5.95334 17.67504 1.000 15.61541 H ? A ? 84 HA 1
   ATOM 1440 HB1 . ALA A 84 ? 20.77069 7.27526 17.83508 1.000 19.86745 H ? A ? 84 HB1 1
   ATOM 1441 HB2 . ALA A 84 ? 20.75822 6.47460 16.46312 1.000 19.86745 H ? A ? 84 HB2 1
   ATOM 1442 HB3 . ALA A 84 ? 20.36967 8.01471 16.48752 1.000 19.86745 H ? A ? 84 HB3 1
   ATOM 1443 N . THR A 85 ? 17.42928 8.75198 17.56542 1.000 13.96185 N ? A ? 85 N 1
   ATOM 1444 CA . THR A 85 ? 16.71403 9.74731 18.37808 1.000 13.78040 C ? A ? 85 CA 1
   ATOM 1445 C . THR A 85 ? 15.52262 9.15351 19.12602 1.000 13.96955 C ? A ? 85 C 1
   ATOM 1446 O . THR A 85 ? 15.28616 9.47555 20.31808 1.000 13.99277 O ? A ? 85 O 1
   ATOM 1447 CB . THR A 85 ? 16.25550 10.89160 17.49444 1.000 16.17235 C ? A ? 85 CB 1
   ATOM 1448 OG1 . THR A 85 ? 17.42246 11.42898 16.82682 1.000 21.46133 O ? A ? 85 OG1 1
   ATOM 1449 CG2 . THR A 85 ? 15.55095 11.95065 18.32717 1.000 18.65885 C ? A ? 85 CG2 1
   ATOM 1450 H . THR A 85 ? 17.30584 8.84556 16.71949 1.000 16.80290 H ? A ? 85 H 1
   ATOM 1451 HA . THR A 85 ? 17.33148 10.08577 19.04524 1.000 16.58515 H ? A ? 85 HA 1
   ATOM 1452 HB . THR A 85 ? 15.61590 10.59514 16.82817 1.000 19.45550 H ? A ? 85 HB 1
   ATOM 1453 HG1 . THR A 85 ? 17.78114 10.83537 16.35292 1.000 25.80227 H ? A ? 85 HG1 1
   ATOM 1454 HG21 . THR A 85 ? 15.43470 12.75996 17.80524 1.000 22.43930 H ? A ? 85 HG21 1
   ATOM 1455 HG22 . THR A 85 ? 14.67971 11.62804 18.60603 1.000 22.43930 H ? A ? 85 HG22 1
   ATOM 1456 HG23 . THR A 85 ? 16.07721 12.15726 19.11537 1.000 22.43930 H ? A ? 85 HG23 1
   ATOM 1457 N . GLY A 86 ? 14.80853 8.27237 18.47537 1.000 11.79051 N ? A ? 86 N 1
   ATOM 1458 CA . GLY A 86 ? 13.52908 7.84561 18.94240 1.000 11.61589 C ? A ? 86 CA 1
   ATOM 1459 C . GLY A 86 ? 12.48539 8.89924 18.71053 1.000 11.84623 C ? A ? 86 C 1
   ATOM 1460 O . GLY A 86 ? 12.68709 9.86316 18.03389 1.000 11.39897 O ? A ? 86 O 1
   ATOM 1461 H . GLY A 86 ? 15.05293 7.89838 17.74053 1.000 14.19729 H ? A ? 86 H 1
   ATOM 1462 HA2 . GLY A 86 ? 13.26455 7.03829 18.47426 1.000 13.98774 H ? A ? 86 HA2 1
   ATOM 1463 HA3 . GLY A 86 ? 13.57554 7.65857 19.89306 1.000 13.98774 H ? A ? 86 HA3 1
   ATOM 1464 N . HIS A 87 ? 11.30635 8.60363 19.17586 1.000 10.73862 N ? A ? 87 N 1
   ATOM 1465 CA . HIS A 87 ? 10.20054 9.58254 19.18000 1.000 11.86319 C ? A ? 87 CA 1
   ATOM 1466 C . HIS A 87 ? 9.82732 10.00378 20.54432 1.000 12.44917 C ? A ? 87 C 1
   ATOM 1467 O . HIS A 87 ? 9.31432 9.17842 21.32747 1.000 11.38947 O ? A ? 87 O 1
   ATOM 1468 H . HIS A 87 ? 11.09542 7.83744 19.50459 1.000 12.93501 H ? A ? 87 H 1
   ATOM 1469 HA . HIS A 87 ? 10.53553 10.34700 18.68576 1.000 14.28450 H ? A ? 87 HA 1
   ATOM 1470 CB A HIS A 87 ? 8.94632 9.02486 18.53411 0.798 11.45685 C ? A ? 87 CB 1
   ATOM 1471 CG A HIS A 87 ? 7.85054 10.02777 18.47762 0.798 11.58377 C ? A ? 87 CG 1
   ATOM 1472 ND1 A HIS A 87 ? 7.91707 11.12317 17.63990 0.798 12.90653 N ? A ? 87 ND1 1
   ATOM 1473 CD2 A HIS A 87 ? 6.70798 10.14513 19.18367 0.798 12.74307 C ? A ? 87 CD2 1
   ATOM 1474 CE1 A HIS A 87 ? 6.77110 11.81630 17.76568 0.798 12.94199 C ? A ? 87 CE1 1
   ATOM 1475 NE2 A HIS A 87 ? 6.06151 11.27698 18.72701 0.798 12.72055 N ? A ? 87 NE2 1
   ATOM 1476 HB2 A HIS A 87 ? 9.15147 8.74922 17.62701 0.798 13.79690 H ? A ? 87 HB2 1
   ATOM 1477 HB3 A HIS A 87 ? 8.63450 8.26450 19.04940 0.798 13.79690 H ? A ? 87 HB3 1
   ATOM 1478 HD2 A HIS A 87 ? 6.41088 9.57153 19.85271 0.798 15.34036 H ? A ? 87 HD2 1
   ATOM 1479 HE1 A HIS A 87 ? 6.52380 12.55405 17.25631 0.798 15.57907 H ? A ? 87 HE1 1
   ATOM 1480 HE2 A HIS A 87 ? 5.31372 11.57932 19.02534 0.798 15.31333 H ? A ? 87 HE2 1
   ATOM 1481 CB B HIS A 87 ? 8.96974 9.00095 18.48684 0.202 11.67360 C ? A ? 87 CB 1
   ATOM 1482 CG B HIS A 87 ? 7.79324 9.92472 18.48424 0.202 11.62605 C ? A ? 87 CG 1
   ATOM 1483 ND1 B HIS A 87 ? 7.65453 10.93743 17.55993 0.202 13.34025 N ? A ? 87 ND1 1
   ATOM 1484 CD2 B HIS A 87 ? 6.71867 10.00817 19.30291 0.202 12.69265 C ? A ? 87 CD2 1
   ATOM 1485 CE1 B HIS A 87 ? 6.52617 11.59330 17.79770 0.202 12.58414 C ? A ? 87 CE1 1
   ATOM 1486 NE2 B HIS A 87 ? 5.94761 11.05565 18.85494 0.202 12.27282 N ? A ? 87 NE2 1
   ATOM 1487 HB2 B HIS A 87 ? 9.19449 8.80370 17.56408 0.202 14.05699 H ? A ? 87 HB2 1
   ATOM 1488 HB3 B HIS A 87 ? 8.70761 8.18750 18.94562 0.202 14.05699 H ? A ? 87 HB3 1
   ATOM 1489 HD2 B HIS A 87 ? 6.53585 9.46010 20.03167 0.202 15.27986 H ? A ? 87 HD2 1
   ATOM 1490 HE1 B HIS A 87 ? 6.19869 12.30987 17.30354 0.202 15.14964 H ? A ? 87 HE1 1
   ATOM 1491 HE2 B HIS A 87 ? 5.20804 11.31776 19.20699 0.202 14.77606 H ? A ? 87 HE2 1
   ATOM 1492 N . PRO A 88 ? 10.05467 11.25289 20.89164 1.000 15.19378 N ? A ? 88 N 1
   ATOM 1493 CA . PRO A 88 ? 9.98072 11.65562 22.30123 1.000 16.93094 C ? A ? 88 CA 1
   ATOM 1494 C . PRO A 88 ? 8.79895 11.17856 23.08990 1.000 13.60300 C ? A ? 88 C 1
   ATOM 1495 O . PRO A 88 ? 7.68300 11.38346 22.61767 1.000 14.89333 O ? A ? 88 O 1
   ATOM 1496 CB . PRO A 88 ? 9.93773 13.19458 22.22035 1.000 17.55855 C ? A ? 88 CB 1
   ATOM 1497 CG . PRO A 88 ? 10.60954 13.54907 20.82646 1.000 21.07314 C ? A ? 88 CG 1
   ATOM 1498 CD . PRO A 88 ? 10.40111 12.33006 19.94350 1.000 16.39431 C ? A ? 88 CD 1
   ATOM 1499 HA . PRO A 88 ? 10.78383 11.31637 22.72646 1.000 20.36580 H ? A ? 88 HA 1
   ATOM 1500 HB2 . PRO A 88 ? 9.01812 13.50162 22.25094 1.000 21.11894 H ? A ? 88 HB2 1
   ATOM 1501 HB3 . PRO A 88 ? 10.44028 13.57839 22.95590 1.000 21.11894 H ? A ? 88 HB3 1
   ATOM 1502 HG2 . PRO A 88 ? 10.17723 14.32850 20.44371 1.000 25.33644 H ? A ? 88 HG2 1
   ATOM 1503 HG3 . PRO A 88 ? 11.55521 13.72331 20.95394 1.000 25.33644 H ? A ? 88 HG3 1
   ATOM 1504 HD2 . PRO A 88 ? 9.67563 12.48115 19.31761 1.000 19.72185 H ? A ? 88 HD2 1
   ATOM 1505 HD3 . PRO A 88 ? 11.21486 12.11330 19.46212 1.000 19.72185 H ? A ? 88 HD3 1
   ATOM 1506 N . GLY A 89 ? 9.04620 10.47198 24.20511 1.000 15.14711 N ? A ? 89 N 1
   ATOM 1507 CA . GLY A 89 ? 8.06250 10.00754 25.12647 1.000 15.00365 C ? A ? 89 CA 1
   ATOM 1508 C . GLY A 89 ? 7.26673 8.80160 24.74116 1.000 14.18779 C ? A ? 89 C 1
   ATOM 1509 O . GLY A 89 ? 6.52632 8.29451 25.61946 1.000 15.83954 O ? A ? 89 O 1
   ATOM 1510 H . GLY A 89 ? 9.83996 10.24500 24.44599 1.000 18.22521 H ? A ? 89 H 1
   ATOM 1511 HA2 . GLY A 89 ? 8.50943 9.79784 25.96144 1.000 18.05306 H ? A ? 89 HA2 1
   ATOM 1512 HA3 . GLY A 89 ? 7.43081 10.72777 25.27859 1.000 18.05306 H ? A ? 89 HA3 1
   ATOM 1513 N . ILE A 90 ? 7.49707 8.22207 23.51114 1.000 12.16183 N ? A ? 90 N 1
   ATOM 1514 CA . ILE A 90 ? 6.79529 7.03246 23.08606 1.000 11.49961 C ? A ? 90 CA 1
   ATOM 1515 C . ILE A 90 ? 7.69831 5.94242 22.54910 1.000 10.12917 C ? A ? 90 C 1
   ATOM 1516 O . ILE A 90 ? 7.53659 4.76839 22.93253 1.000 12.53944 O ? A ? 90 O 1
   ATOM 1517 CB . ILE A 90 ? 5.70363 7.39423 22.03869 1.000 12.13256 C ? A ? 90 CB 1
   ATOM 1518 CG1 . ILE A 90 ? 4.77932 8.49479 22.59833 1.000 13.44787 C ? A ? 90 CG1 1
   ATOM 1519 CG2 . ILE A 90 ? 4.90558 6.21764 21.75839 1.000 12.85916 C ? A ? 90 CG2 1
   ATOM 1520 CD1 . ILE A 90 ? 3.74386 8.95823 21.56201 1.000 14.22412 C ? A ? 90 CD1 1
   ATOM 1521 H . ILE A 90 ? 8.05790 8.52226 22.93239 1.000 14.64287 H ? A ? 90 H 1
   ATOM 1522 HA . ILE A 90 ? 6.39866 6.65686 23.88763 1.000 13.84821 H ? A ? 90 HA 1
   ATOM 1523 HB . ILE A 90 ? 6.13640 7.71251 21.23104 1.000 14.60775 H ? A ? 90 HB 1
   ATOM 1524 HG12 . ILE A 90 ? 4.30324 8.14937 23.36965 1.000 16.18612 H ? A ? 90 HG12 1
   ATOM 1525 HG13 . ILE A 90 ? 5.31558 9.26113 22.85531 1.000 16.18612 H ? A ? 90 HG13 1
   ATOM 1526 HG21 . ILE A 90 ? 4.21049 6.45142 21.12348 1.000 15.47966 H ? A ? 90 HG21 1
   ATOM 1527 HG22 . ILE A 90 ? 5.47785 5.52975 21.38394 1.000 15.47966 H ? A ? 90 HG22 1
   ATOM 1528 HG23 . ILE A 90 ? 4.50662 5.90251 22.58448 1.000 15.47966 H ? A ? 90 HG23 1
   ATOM 1529 HD11 . ILE A 90 ? 3.41078 9.83265 21.81762 1.000 17.11762 H ? A ? 90 HD11 1
   ATOM 1530 HD12 . ILE A 90 ? 4.16868 9.00761 20.69139 1.000 17.11762 H ? A ? 90 HD12 1
   ATOM 1531 HD13 . ILE A 90 ? 3.01365 8.32016 21.53805 1.000 17.11762 H ? A ? 90 HD13 1
   ATOM 1532 N . ILE A 91 ? 8.63375 6.29365 21.68540 1.000 9.63310 N ? A ? 91 N 1
   ATOM 1533 CA . ILE A 91 ? 9.45452 5.28390 21.00762 1.000 10.62090 C ? A ? 91 CA 1
   ATOM 1534 C . ILE A 91 ? 10.89528 5.44102 21.42085 1.000 9.42296 C ? A ? 91 C 1
   ATOM 1535 O . ILE A 91 ? 11.47694 6.53477 21.16955 1.000 11.06836 O ? A ? 91 O 1
   ATOM 1536 CB . ILE A 91 ? 9.35828 5.41645 19.48157 1.000 9.91722 C ? A ? 91 CB 1
   ATOM 1537 CG1 . ILE A 91 ? 7.91512 5.30395 18.97589 1.000 10.11674 C ? A ? 91 CG1 1
   ATOM 1538 CG2 . ILE A 91 ? 10.25413 4.27202 18.77340 1.000 9.01099 C ? A ? 91 CG2 1
   ATOM 1539 CD1 . ILE A 91 ? 7.19970 4.00865 19.34649 1.000 11.97728 C ? A ? 91 CD1 1
   ATOM 1540 H . ILE A 91 ? 8.81696 7.10612 21.47108 1.000 11.60840 H ? A ? 91 H 1
   ATOM 1541 HA . ILE A 91 ? 9.15052 4.40851 21.29427 1.000 12.79375 H ? A ? 91 HA 1
   ATOM 1542 HB . ILE A 91 ? 9.68783 6.29994 19.25411 1.000 11.94934 H ? A ? 91 HB 1
   ATOM 1543 HG12 . ILE A 91 ? 7.40110 6.03682 19.34950 1.000 12.18877 H ? A ? 91 HG12 1
   ATOM 1544 HG13 . ILE A 91 ? 7.92364 5.36434 18.00781 1.000 12.18877 H ? A ? 91 HG13 1
   ATOM 1545 HG21 . ILE A 91 ? 10.02897 4.23297 17.83071 1.000 10.86186 H ? A ? 91 HG21 1
   ATOM 1546 HG22 . ILE A 91 ? 11.19229 4.49402 18.88049 1.000 10.86186 H ? A ? 91 HG22 1
   ATOM 1547 HG23 . ILE A 91 ? 10.06610 3.41842 19.19403 1.000 10.86186 H ? A ? 91 HG23 1
   ATOM 1548 HD11 . ILE A 91 ? 6.29660 4.03454 18.99344 1.000 14.42141 H ? A ? 91 HD11 1
   ATOM 1549 HD12 . ILE A 91 ? 7.68326 3.26008 18.96347 1.000 14.42141 H ? A ? 91 HD12 1
   ATOM 1550 HD13 . ILE A 91 ? 7.17491 3.92688 20.31272 1.000 14.42141 H ? A ? 91 HD13 1
   ATOM 1551 N . PRO A 92 ? 11.55135 4.47887 22.02441 1.000 9.05402 N ? A ? 92 N 1
   ATOM 1552 CA . PRO A 92 ? 12.97186 4.65717 22.41952 1.000 9.48746 C ? A ? 92 CA 1
   ATOM 1553 C . PRO A 92 ? 13.92973 4.65449 21.23304 1.000 9.86473 C ? A ? 92 C 1
   ATOM 1554 O . PRO A 92 ? 13.59855 4.18003 20.12266 1.000 9.52824 O ? A ? 92 O 1
   ATOM 1555 CB . PRO A 92 ? 13.24922 3.47776 23.33181 1.000 12.05166 C ? A ? 92 CB 1
   ATOM 1556 CG . PRO A 92 ? 12.25903 2.51279 23.10290 1.000 14.50756 C ? A ? 92 CG 1
   ATOM 1557 CD . PRO A 92 ? 11.03801 3.14941 22.47690 1.000 10.20634 C ? A ? 92 CD 1
   ATOM 1558 HA . PRO A 92 ? 13.06259 5.49374 22.90203 1.000 11.43363 H ? A ? 92 HA 1
   ATOM 1559 HB2 . PRO A 92 ? 14.12542 3.11588 23.12635 1.000 14.51067 H ? A ? 92 HB2 1
   ATOM 1560 HB3 . PRO A 92 ? 13.22142 3.77589 24.25444 1.000 14.51067 H ? A ? 92 HB3 1
   ATOM 1561 HG2 . PRO A 92 ? 12.61816 1.83804 22.50570 1.000 17.45774 H ? A ? 92 HG2 1
   ATOM 1562 HG3 . PRO A 92 ? 12.01856 2.11020 23.95201 1.000 17.45774 H ? A ? 92 HG3 1
   ATOM 1563 HD2 . PRO A 92 ? 10.72082 2.62564 21.72460 1.000 12.29628 H ? A ? 92 HD2 1
   ATOM 1564 HD3 . PRO A 92 ? 10.32866 3.25539 23.12997 1.000 12.29628 H ? A ? 92 HD3 1
   ATOM 1565 N . PRO A 93 ? 15.13040 5.13863 21.42201 1.000 8.82519 N ? A ? 93 N 1
   ATOM 1566 CA . PRO A 93 ? 16.19754 4.99881 20.45265 1.000 9.60035 C ? A ? 93 CA 1
   ATOM 1567 C . PRO A 93 ? 16.33087 3.55476 19.99415 1.000 8.55751 C ? A ? 93 C 1
   ATOM 1568 O . PRO A 93 ? 16.23592 2.63322 20.79084 1.000 8.91374 O ? A ? 93 O 1
   ATOM 1569 CB . PRO A 93 ? 17.40901 5.41366 21.26576 1.000 10.87868 C ? A ? 93 CB 1
   ATOM 1570 CG . PRO A 93 ? 16.87758 6.55140 22.05709 1.000 11.11144 C ? A ? 93 CG 1
   ATOM 1571 CD . PRO A 93 ? 15.52463 6.03700 22.53496 1.000 10.86562 C ? A ? 93 CD 1
   ATOM 1572 HA . PRO A 93 ? 16.06610 5.58113 19.68811 1.000 11.56910 H ? A ? 93 HA 1
   ATOM 1573 HB2 . PRO A 93 ? 17.70245 4.68678 21.83709 1.000 13.10309 H ? A ? 93 HB2 1
   ATOM 1574 HB3 . PRO A 93 ? 18.13326 5.69072 20.68300 1.000 13.10309 H ? A ? 93 HB3 1
   ATOM 1575 HG2 . PRO A 93 ? 17.46495 6.74794 22.80360 1.000 13.38240 H ? A ? 93 HG2 1
   ATOM 1576 HG3 . PRO A 93 ? 16.77937 7.33687 21.49648 1.000 13.38240 H ? A ? 93 HG3 1
   ATOM 1577 HD2 . PRO A 93 ? 15.60986 5.54711 23.36781 1.000 13.08742 H ? A ? 93 HD2 1
   ATOM 1578 HD3 . PRO A 93 ? 14.89061 6.76345 22.64075 1.000 13.08742 H ? A ? 93 HD3 1
   ATOM 1579 N . HIS A 94 ? 16.60439 3.37891 18.69865 1.000 8.64281 N ? A ? 94 N 1
   ATOM 1580 CA . HIS A 94 ? 17.05297 2.09476 18.16116 1.000 9.16314 C ? A ? 94 CA 1
   ATOM 1581 C . HIS A 94 ? 15.92846 1.06206 18.25403 1.000 10.06970 C ? A ? 94 C 1
   ATOM 1582 O . HIS A 94 ? 16.17276 -0.12962 18.36698 1.000 11.02896 O ? A ? 94 O 1
   ATOM 1583 CB . HIS A 94 ? 18.35860 1.54856 18.81521 1.000 9.96557 C ? A ? 94 CB 1
   ATOM 1584 CG . HIS A 94 ? 19.01947 0.48149 17.95020 1.000 12.02049 C ? A ? 94 CG 1
   ATOM 1585 ND1 . HIS A 94 ? 19.04930 -0.84460 18.27607 1.000 14.91777 N ? A ? 94 ND1 1
   ATOM 1586 CD2 . HIS A 94 ? 19.59255 0.58381 16.73623 1.000 14.46303 C ? A ? 94 CD2 1
   ATOM 1587 CE1 . HIS A 94 ? 19.64426 -1.52246 17.30016 1.000 15.05069 C ? A ? 94 CE1 1
   ATOM 1588 NE2 . HIS A 94 ? 20.06878 -0.67181 16.40389 1.000 15.96840 N ? A ? 94 NE2 1
   ATOM 1589 H . HIS A 94 ? 16.53649 3.99704 18.10460 1.000 10.42005 H ? A ? 94 H 1
   ATOM 1590 HA . HIS A 94 ? 17.27917 2.23970 17.22910 1.000 11.04444 H ? A ? 94 HA 1
   ATOM 1591 HB2 . HIS A 94 ? 18.98702 2.27817 18.93211 1.000 12.00736 H ? A ? 94 HB2 1
   ATOM 1592 HB3 . HIS A 94 ? 18.14455 1.15408 19.67514 1.000 12.00736 H ? A ? 94 HB3 1
   ATOM 1593 HD1 . HIS A 94 ? 18.73295 -1.18687 18.99882 1.000 17.94999 H ? A ? 94 HD1 1
   ATOM 1594 HD2 . HIS A 94 ? 19.65628 1.35373 16.21849 1.000 17.40432 H ? A ? 94 HD2 1
   ATOM 1595 HE1 . HIS A 94 ? 19.74198 -2.44651 17.26163 1.000 18.10950 H ? A ? 94 HE1 1
   ATOM 1596 N A ALA A 95 ? 14.68029 1.49951 18.09937 0.092 9.56082 N ? A ? 95 N 1
   ATOM 1597 CA A ALA A 95 ? 13.52099 0.62119 18.25336 0.092 9.14127 C ? A ? 95 CA 1
   ATOM 1598 C A ALA A 95 ? 13.07324 0.06693 16.90151 0.092 9.44999 C ? A ? 95 C 1
   ATOM 1599 O A ALA A 95 ? 12.74545 0.84063 15.99451 0.092 9.83357 O ? A ? 95 O 1
   ATOM 1600 CB A ALA A 95 ? 12.36899 1.37943 18.91896 0.092 10.46722 C ? A ? 95 CB 1
   ATOM 1601 H A ALA A 95 ? 14.47655 2.31151 17.90254 0.092 11.52166 H ? A ? 95 H 1
   ATOM 1602 HA A ALA A 95 ? 13.77857 -0.13487 18.80374 0.092 11.01820 H ? A ? 95 HA 1
   ATOM 1603 HB1 A ALA A 95 ? 11.60971 0.78283 19.01102 0.092 12.60933 H ? A ? 95 HB1 1
   ATOM 1604 HB2 A ALA A 95 ? 12.65632 1.68644 19.79308 0.092 12.60933 H ? A ? 95 HB2 1
   ATOM 1605 HB3 A ALA A 95 ? 12.12824 2.13810 18.36457 0.092 12.60933 H ? A ? 95 HB3 1
   ATOM 1606 N B ALA A 95 ? 14.68479 1.51481 18.14434 0.908 9.70204 N ? A ? 95 N 1
   ATOM 1607 CA B ALA A 95 ? 13.52078 0.63614 18.22000 0.908 9.24286 C ? A ? 95 CA 1
   ATOM 1608 C B ALA A 95 ? 13.13142 0.07783 16.86461 0.908 9.39917 C ? A ? 95 C 1
   ATOM 1609 O B ALA A 95 ? 12.94340 0.82839 15.89724 0.908 9.64751 O ? A ? 95 O 1
   ATOM 1610 CB B ALA A 95 ? 12.32859 1.40740 18.78354 0.908 10.50519 C ? A ? 95 CB 1
   ATOM 1611 H B ALA A 95 ? 14.48394 2.34222 18.02335 0.908 11.69112 H ? A ? 95 H 1
   ATOM 1612 HA B ALA A 95 ? 13.75319 -0.11265 18.79114 0.908 11.14011 H ? A ? 95 HA 1
   ATOM 1613 HB1 B ALA A 95 ? 11.55240 0.82573 18.79362 0.908 12.65490 H ? A ? 95 HB1 1
   ATOM 1614 HB2 B ALA A 95 ? 12.53723 1.69624 19.68572 0.908 12.65490 H ? A ? 95 HB2 1
   ATOM 1615 HB3 B ALA A 95 ? 12.15676 2.17853 18.22075 0.908 12.65490 H ? A ? 95 HB3 1
   ATOM 1616 N . THR A 96 ? 13.04944 -1.27205 16.76638 1.000 10.03498 N ? A ? 96 N 1
   ATOM 1617 CA . THR A 96 ? 12.39138 -1.89782 15.60711 1.000 9.22953 C ? A ? 96 CA 1
   ATOM 1618 C . THR A 96 ? 10.90946 -1.86145 15.88418 1.000 9.14781 C ? A ? 96 C 1
   ATOM 1619 O . THR A 96 ? 10.47709 -2.20387 16.98730 1.000 9.99839 O ? A ? 96 O 1
   ATOM 1620 CB . THR A 96 ? 12.86807 -3.35529 15.48576 1.000 11.47848 C ? A ? 96 CB 1
   ATOM 1621 OG1 . THR A 96 ? 14.29044 -3.34410 15.22699 1.000 11.34289 O ? A ? 96 OG1 1
   ATOM 1622 CG2 . THR A 96 ? 12.09641 -4.09143 14.40715 1.000 12.58962 C ? A ? 96 CG2 1
   ATOM 1623 HA . THR A 96 ? 12.59345 -1.44154 14.77531 1.000 11.12412 H ? A ? 96 HA 1
   ATOM 1624 HB . THR A 96 ? 12.70454 -3.84651 16.30604 1.000 13.82285 H ? A ? 96 HB 1
   ATOM 1625 HG1 . THR A 96 ? 14.43530 -3.13184 14.42727 1.000 13.66015 H ? A ? 96 HG1 1
   ATOM 1626 HG21 . THR A 96 ? 12.50986 -4.95115 14.23156 1.000 15.15622 H ? A ? 96 HG21 1
   ATOM 1627 HG22 . THR A 96 ? 11.18087 -4.23506 14.69363 1.000 15.15622 H ? A ? 96 HG22 1
   ATOM 1628 HG23 . THR A 96 ? 12.09215 -3.57110 13.58853 1.000 15.15622 H ? A ? 96 HG23 1
   ATOM 1629 H A THR A 96 ? 13.40043 -1.82699 17.32176 0.092 12.09065 H ? A ? 96 H 1
   ATOM 1630 H B THR A 96 ? 13.36075 -1.82623 17.34566 0.908 12.09065 H ? A ? 96 H 1
   ATOM 1631 N . LEU A 97 ? 10.12026 -1.42242 14.90363 1.000 9.25734 N ? A ? 97 N 1
   ATOM 1632 CA . LEU A 97 ? 8.69430 -1.30250 15.06976 1.000 8.23424 C ? A ? 97 CA 1
   ATOM 1633 C . LEU A 97 ? 7.96577 -2.33085 14.22037 1.000 9.39433 C ? A ? 97 C 1
   ATOM 1634 O . LEU A 97 ? 8.40654 -2.64448 13.12871 1.000 10.29371 O ? A ? 97 O 1
   ATOM 1635 CB . LEU A 97 ? 8.22665 0.10912 14.62147 1.000 8.93412 C ? A ? 97 CB 1
   ATOM 1636 CG . LEU A 97 ? 8.95284 1.18112 15.35515 1.000 8.07965 C ? A ? 97 CG 1
   ATOM 1637 CD1 . LEU A 97 ? 8.20776 2.51069 14.97076 1.000 9.64199 C ? A ? 97 CD1 1
   ATOM 1638 CD2 . LEU A 97 ? 8.88486 1.07796 16.86787 1.000 10.03828 C ? A ? 97 CD2 1
   ATOM 1639 H . LEU A 97 ? 10.40275 -1.18745 14.12608 1.000 11.15748 H ? A ? 97 H 1
   ATOM 1640 HA . LEU A 97 ? 8.46792 -1.45310 16.00088 1.000 9.92977 H ? A ? 97 HA 1
   ATOM 1641 HB2 . LEU A 97 ? 8.39787 0.21681 13.67280 1.000 10.76962 H ? A ? 97 HB2 1
   ATOM 1642 HB3 . LEU A 97 ? 7.27797 0.20384 14.80022 1.000 10.76962 H ? A ? 97 HB3 1
   ATOM 1643 HG . LEU A 97 ? 9.89252 1.13445 15.11912 1.000 9.74426 H ? A ? 97 HG 1
   ATOM 1644 HD11 . LEU A 97 ? 8.68757 3.26293 15.35130 1.000 11.61906 H ? A ? 97 HD11 1
   ATOM 1645 HD12 . LEU A 97 ? 8.18139 2.58986 14.00435 1.000 11.61906 H ? A ? 97 HD12 1
   ATOM 1646 HD13 . LEU A 97 ? 7.30523 2.48066 15.32493 1.000 11.61906 H ? A ? 97 HD13 1
   ATOM 1647 HD21 . LEU A 97 ? 9.26785 1.87989 17.25662 1.000 12.09461 H ? A ? 97 HD21 1
   ATOM 1648 HD22 . LEU A 97 ? 7.95708 0.99046 17.13706 1.000 12.09461 H ? A ? 97 HD22 1
   ATOM 1649 HD23 . LEU A 97 ? 9.38721 0.29914 17.15418 1.000 12.09461 H ? A ? 97 HD23 1
   ATOM 1650 N . VAL A 98 ? 6.78355 -2.75860 14.67386 1.000 8.39852 N ? A ? 98 N 1
   ATOM 1651 CA . VAL A 98 ? 5.92502 -3.65457 13.91827 1.000 8.53723 C ? A ? 98 CA 1
   ATOM 1652 C . VAL A 98 ? 4.57940 -2.99959 13.81969 1.000 9.93141 C ? A ? 98 C 1
   ATOM 1653 O . VAL A 98 ? 3.97493 -2.58950 14.83911 1.000 10.20442 O ? A ? 98 O 1
   ATOM 1654 CB . VAL A 98 ? 5.78449 -5.02390 14.60556 1.000 9.05701 C ? A ? 98 CB 1
   ATOM 1655 CG1 . VAL A 98 ? 4.91328 -5.91579 13.81488 1.000 11.23610 C ? A ? 98 CG1 1
   ATOM 1656 CG2 . VAL A 98 ? 7.10394 -5.61783 14.79920 1.000 13.17595 C ? A ? 98 CG2 1
   ATOM 1657 H . VAL A 98 ? 6.45576 -2.53361 15.43644 1.000 10.12690 H ? A ? 98 H 1
   ATOM 1658 HA . VAL A 98 ? 6.29477 -3.78856 13.03157 1.000 10.29335 H ? A ? 98 HA 1
   ATOM 1659 HB . VAL A 98 ? 5.37082 -4.90676 15.47507 1.000 10.91709 H ? A ? 98 HB 1
   ATOM 1660 HG11 . VAL A 98 ? 4.92964 -6.80261 14.20753 1.000 13.53200 H ? A ? 98 HG11 1
   ATOM 1661 HG12 . VAL A 98 ? 4.00883 -5.56547 13.82662 1.000 13.53200 H ? A ? 98 HG12 1
   ATOM 1662 HG13 . VAL A 98 ? 5.24231 -5.95162 12.90309 1.000 13.53200 H ? A ? 98 HG13 1
   ATOM 1663 HG21 . VAL A 98 ? 6.99972 -6.49472 15.20056 1.000 15.85982 H ? A ? 98 HG21 1
   ATOM 1664 HG22 . VAL A 98 ? 7.54350 -5.69823 13.93826 1.000 15.85982 H ? A ? 98 HG22 1
   ATOM 1665 HG23 . VAL A 98 ? 7.62487 -5.04597 15.38444 1.000 15.85982 H ? A ? 98 HG23 1
   ATOM 1666 N A PHE A 99 ? 4.07121 -2.93133 12.57938 0.345 8.98246 N ? A ? 99 N 1
   ATOM 1667 CA A PHE A 99 ? 2.79528 -2.28020 12.27018 0.345 9.07493 C ? A ? 99 CA 1
   ATOM 1668 C A PHE A 99 ? 1.89326 -3.16592 11.40914 0.345 9.86507 C ? A ? 99 C 1
   ATOM 1669 O A PHE A 99 ? 2.25029 -3.49386 10.26087 0.345 9.12588 O ? A ? 99 O 1
   ATOM 1670 CB A PHE A 99 ? 3.01507 -0.99065 11.47262 0.345 9.15263 C ? A ? 99 CB 1
   ATOM 1671 CG A PHE A 99 ? 3.53629 0.17598 12.25187 0.345 8.76837 C ? A ? 99 CG 1
   ATOM 1672 CD1 A PHE A 99 ? 4.90288 0.40489 12.34632 0.345 8.62760 C ? A ? 99 CD1 1
   ATOM 1673 CD2 A PHE A 99 ? 2.67555 1.08519 12.81576 0.345 9.63478 C ? A ? 99 CD2 1
   ATOM 1674 CE1 A PHE A 99 ? 5.39573 1.50259 13.01495 0.345 8.96960 C ? A ? 99 CE1 1
   ATOM 1675 CE2 A PHE A 99 ? 3.16780 2.20157 13.52461 0.345 9.25577 C ? A ? 99 CE2 1
   ATOM 1676 CZ A PHE A 99 ? 4.50153 2.40760 13.60769 0.345 8.79307 C ? A ? 99 CZ 1
   ATOM 1677 H A PHE A 99 ? 4.45878 -3.26354 11.88726 0.345 10.82763 H ? A ? 99 H 1
   ATOM 1678 HA A PHE A 99 ? 2.36381 -2.12052 13.12413 0.345 10.93859 H ? A ? 99 HA 1
   ATOM 1679 HB2 A PHE A 99 ? 3.65555 -1.17460 10.76775 0.345 11.03183 H ? A ? 99 HB2 1
   ATOM 1680 HB3 A PHE A 99 ? 2.16595 -0.72281 11.08772 0.345 11.03183 H ? A ? 99 HB3 1
   ATOM 1681 HD1 A PHE A 99 ? 5.49501 -0.19353 11.95115 0.345 10.40180 H ? A ? 99 HD1 1
   ATOM 1682 HD2 A PHE A 99 ? 1.75755 0.96379 12.72948 0.345 11.61042 H ? A ? 99 HD2 1
   ATOM 1683 HE1 A PHE A 99 ? 6.31316 1.64329 13.07342 0.345 10.81220 H ? A ? 99 HE1 1
   ATOM 1684 HE2 A PHE A 99 ? 2.57750 2.79300 13.93285 0.345 11.15560 H ? A ? 99 HE2 1
   ATOM 1685 HZ A PHE A 99 ? 4.82778 3.15214 14.05949 0.345 10.60036 H ? A ? 99 HZ 1
   ATOM 1686 N B PHE A 99 ? 4.12388 -2.88431 12.58502 0.655 8.96300 N ? A ? 99 N 1
   ATOM 1687 CA B PHE A 99 ? 2.79293 -2.39401 12.29930 0.655 9.07858 C ? A ? 99 CA 1
   ATOM 1688 C B PHE A 99 ? 1.96357 -3.44513 11.55938 0.655 9.90813 C ? A ? 99 C 1
   ATOM 1689 O B PHE A 99 ? 2.44377 -4.15750 10.64012 0.655 9.53920 O ? A ? 99 O 1
   ATOM 1690 CB B PHE A 99 ? 2.88725 -1.16657 11.42878 0.655 9.18379 C ? A ? 99 CB 1
   ATOM 1691 CG B PHE A 99 ? 3.28078 0.11567 12.15348 0.655 8.65096 C ? A ? 99 CG 1
   ATOM 1692 CD1 B PHE A 99 ? 4.63106 0.49524 12.22977 0.655 8.37404 C ? A ? 99 CD1 1
   ATOM 1693 CD2 B PHE A 99 ? 2.30539 0.97237 12.66752 0.655 9.58277 C ? A ? 99 CD2 1
   ATOM 1694 CE1 B PHE A 99 ? 4.98915 1.68107 12.75765 0.655 8.94493 C ? A ? 99 CE1 1
   ATOM 1695 CE2 B PHE A 99 ? 2.66478 2.21003 13.21659 0.655 9.56017 C ? A ? 99 CE2 1
   ATOM 1696 CZ B PHE A 99 ? 4.05501 2.49844 13.37181 0.655 8.95737 C ? A ? 99 CZ 1
   ATOM 1697 H B PHE A 99 ? 4.57787 -3.08846 11.88372 0.655 10.80428 H ? A ? 99 H 1
   ATOM 1698 HA B PHE A 99 ? 2.34140 -2.19447 13.13428 0.655 10.94297 H ? A ? 99 HA 1
   ATOM 1699 HB2 B PHE A 99 ? 3.55403 -1.32809 10.74306 0.655 11.06922 H ? A ? 99 HB2 1
   ATOM 1700 HB3 B PHE A 99 ? 2.02100 -1.01402 11.01982 0.655 11.06922 H ? A ? 99 HB3 1
   ATOM 1701 HD1 B PHE A 99 ? 5.28757 -0.08114 11.91089 0.655 10.09752 H ? A ? 99 HD1 1
   ATOM 1702 HD2 B PHE A 99 ? 1.41070 0.71952 12.64522 0.655 11.54800 H ? A ? 99 HD2 1
   ATOM 1703 HE1 B PHE A 99 ? 5.87653 1.95513 12.70911 0.655 10.78259 H ? A ? 99 HE1 1
   ATOM 1704 HE2 B PHE A 99 ? 2.01686 2.82609 13.47265 0.655 11.52088 H ? A ? 99 HE2 1
   ATOM 1705 HZ B PHE A 99 ? 4.32997 3.22728 13.87983 0.655 10.79752 H ? A ? 99 HZ 1
   ATOM 1706 N . ASP A 100 ? 0.70912 -3.52513 11.94194 1.000 9.02177 N ? A ? 100 N 1
   ATOM 1707 CA . ASP A 100 ? -0.30064 -4.26611 11.21392 1.000 8.88825 C ? A ? 100 CA 1
   ATOM 1708 C . ASP A 100 ? -1.11269 -3.24967 10.46165 1.000 10.42231 C ? A ? 100 C 1
   ATOM 1709 O . ASP A 100 ? -1.68887 -2.36643 11.09797 1.000 11.67051 O ? A ? 100 O 1
   ATOM 1710 CB . ASP A 100 ? -1.18786 -4.92856 12.26532 1.000 10.95630 C ? A ? 100 CB 1
   ATOM 1711 CG . ASP A 100 ? -2.37988 -5.63452 11.73500 1.000 13.43068 C ? A ? 100 CG 1
   ATOM 1712 OD1 . ASP A 100 ? -2.76578 -5.55613 10.60036 1.000 13.28641 O ? A ? 100 OD1 1
   ATOM 1713 OD2 . ASP A 100 ? -2.99395 -6.37588 12.51844 1.000 15.16224 O ? A ? 100 OD2 1
   ATOM 1714 HA . ASP A 100 ? 0.07603 -4.91370 10.59776 1.000 10.71457 H ? A ? 100 HA 1
   ATOM 1715 HB2 . ASP A 100 ? -0.65628 -5.58100 12.74764 1.000 13.19624 H ? A ? 100 HB2 1
   ATOM 1716 HB3 . ASP A 100 ? -1.50486 -4.24337 12.87437 1.000 13.19624 H ? A ? 100 HB3 1
   ATOM 1717 H A ASP A 100 ? 0.47439 -3.33883 12.74803 0.345 10.87480 H ? A ? 100 H 1
   ATOM 1718 H B ASP A 100 ? 0.40315 -3.14359 12.64933 0.655 10.87480 H ? A ? 100 H 1
   ATOM 1719 N . VAL A 101 ? -0.96024 -3.22537 9.12442 1.000 9.01166 N ? A ? 101 N 1
   ATOM 1720 CA . VAL A 101 ? -1.51212 -2.20969 8.26980 1.000 10.10263 C ? A ? 101 CA 1
   ATOM 1721 C . VAL A 101 ? -2.47905 -2.86471 7.29146 1.000 9.83941 C ? A ? 101 C 1
   ATOM 1722 O . VAL A 101 ? -2.12848 -3.86557 6.66584 1.000 9.12370 O ? A ? 101 O 1
   ATOM 1723 CB . VAL A 101 ? -0.41066 -1.48322 7.49668 1.000 9.25472 C ? A ? 101 CB 1
   ATOM 1724 CG1 . VAL A 101 ? -1.02421 -0.31604 6.63840 1.000 10.09187 C ? A ? 101 CG1 1
   ATOM 1725 CG2 . VAL A 101 ? 0.56115 -0.88356 8.49652 1.000 8.41392 C ? A ? 101 CG2 1
   ATOM 1726 H . VAL A 101 ? -0.51850 -3.82152 8.68960 1.000 10.86267 H ? A ? 101 H 1
   ATOM 1727 HA . VAL A 101 ? -2.00333 -1.57317 8.81244 1.000 12.17184 H ? A ? 101 HA 1
   ATOM 1728 HB . VAL A 101 ? 0.03960 -2.10777 6.90667 1.000 11.15434 H ? A ? 101 HB 1
   ATOM 1729 HG11 . VAL A 101 ? -0.30307 0.21946 6.27221 1.000 12.15892 H ? A ? 101 HG11 1
   ATOM 1730 HG12 . VAL A 101 ? -1.55179 -0.69673 5.91893 1.000 12.15892 H ? A ? 101 HG12 1
   ATOM 1731 HG13 . VAL A 101 ? -1.58723 0.23198 7.20724 1.000 12.15892 H ? A ? 101 HG13 1
   ATOM 1732 HG21 . VAL A 101 ? 1.20509 -0.33547 8.02130 1.000 10.14537 H ? A ? 101 HG21 1
   ATOM 1733 HG22 . VAL A 101 ? 0.06720 -0.33958 9.12976 1.000 10.14537 H ? A ? 101 HG22 1
   ATOM 1734 HG23 . VAL A 101 ? 1.01776 -1.60133 8.96259 1.000 10.14537 H ? A ? 101 HG23 1
   ATOM 1735 N . GLU A 102 ? -3.66807 -2.29955 7.15168 1.000 11.65654 N ? A ? 102 N 1
   ATOM 1736 CA . GLU A 102 ? -4.63011 -2.63627 6.10690 1.000 11.42533 C ? A ? 102 CA 1
   ATOM 1737 C . GLU A 102 ? -4.85737 -1.43004 5.18331 1.000 11.82499 C ? A ? 102 C 1
   ATOM 1738 O . GLU A 102 ? -5.15441 -0.30727 5.67572 1.000 12.36368 O ? A ? 102 O 1
   ATOM 1739 CB . GLU A 102 ? -5.99149 -3.01500 6.71450 1.000 12.44373 C ? A ? 102 CB 1
   ATOM 1740 CG . GLU A 102 ? -6.95947 -3.50605 5.63808 1.000 13.76456 C ? A ? 102 CG 1
   ATOM 1741 CD . GLU A 102 ? -8.20799 -4.15631 6.22362 1.000 18.58374 C ? A ? 102 CD 1
   ATOM 1742 OE1 . GLU A 102 ? -8.33139 -4.15778 7.52936 1.000 21.70162 O ? A ? 102 OE1 1
   ATOM 1743 OE2 . GLU A 102 ? -9.10622 -4.61719 5.39878 1.000 19.36143 O ? A ? 102 OE2 1
   ATOM 1744 H . GLU A 102 ? -3.95881 -1.68420 7.67743 1.000 14.03652 H ? A ? 102 H 1
   ATOM 1745 HA . GLU A 102 ? -4.25963 -3.37204 5.59476 1.000 13.75907 H ? A ? 102 HA 1
   ATOM 1746 HB2 . GLU A 102 ? -5.86776 -3.72540 7.36329 1.000 14.98115 H ? A ? 102 HB2 1
   ATOM 1747 HB3 . GLU A 102 ? -6.37952 -2.23690 7.14447 1.000 14.98115 H ? A ? 102 HB3 1
   ATOM 1748 HG2 . GLU A 102 ? -7.23958 -2.75172 5.09638 1.000 16.56615 H ? A ? 102 HG2 1
   ATOM 1749 HG3 . GLU A 102 ? -6.50999 -4.16345 5.08428 1.000 16.56615 H ? A ? 102 HG3 1
   ATOM 1750 N . LEU A 103 ? -4.57002 -1.60670 3.87185 1.000 11.55145 N ? A ? 103 N 1
   ATOM 1751 CA . LEU A 103 ? -4.82158 -0.55886 2.88623 1.000 12.26232 C ? A ? 103 CA 1
   ATOM 1752 C . LEU A 103 ? -6.29851 -0.64197 2.51025 1.000 13.46960 C ? A ? 103 C 1
   ATOM 1753 O . LEU A 103 ? -6.68386 -1.49692 1.71171 1.000 12.87192 O ? A ? 103 O 1
   ATOM 1754 CB . LEU A 103 ? -3.87495 -0.73108 1.70189 1.000 10.70191 C ? A ? 103 CB 1
   ATOM 1755 CG . LEU A 103 ? -4.00539 0.38713 0.63115 1.000 11.41591 C ? A ? 103 CG 1
   ATOM 1756 CD1 . LEU A 103 ? -3.85260 1.75905 1.13174 1.000 12.63840 C ? A ? 103 CD1 1
   ATOM 1757 CD2 . LEU A 103 ? -2.91036 0.06061 -0.46159 1.000 12.55331 C ? A ? 103 CD2 1
   ATOM 1758 H . LEU A 103 ? -4.23093 -2.32528 3.54281 1.000 13.91041 H ? A ? 103 H 1
   ATOM 1759 HA . LEU A 103 ? -4.66173 0.32764 3.24603 1.000 14.76346 H ? A ? 103 HA 1
   ATOM 1760 HB2 . LEU A 103 ? -2.96192 -0.72389 2.02932 1.000 12.89097 H ? A ? 103 HB2 1
   ATOM 1761 HB3 . LEU A 103 ? -4.06621 -1.57882 1.27100 1.000 12.89097 H ? A ? 103 HB3 1
   ATOM 1762 HG . LEU A 103 ? -4.90833 0.38637 0.27676 1.000 13.74777 H ? A ? 103 HG 1
   ATOM 1763 HD11 . LEU A 103 ? -3.82878 2.36936 0.37818 1.000 15.21475 H ? A ? 103 HD11 1
   ATOM 1764 HD12 . LEU A 103 ? -4.60514 1.97142 1.70575 1.000 15.21475 H ? A ? 103 HD12 1
   ATOM 1765 HD13 . LEU A 103 ? -3.02528 1.82154 1.63428 1.000 15.21475 H ? A ? 103 HD13 1
   ATOM 1766 HD21 . LEU A 103 ? -3.00458 0.68360 -1.19909 1.000 15.11265 H ? A ? 103 HD21 1
   ATOM 1767 HD22 . LEU A 103 ? -2.03038 0.15004 -0.06341 1.000 15.11265 H ? A ? 103 HD22 1
   ATOM 1768 HD23 . LEU A 103 ? -3.03995 -0.84746 -0.77705 1.000 15.11265 H ? A ? 103 HD23 1
   ATOM 1769 N . LEU A 104 ? -7.08351 0.37150 2.94477 1.000 14.75245 N ? A ? 104 N 1
   ATOM 1770 CA . LEU A 104 ? -8.53513 0.33757 2.76662 1.000 16.09326 C ? A ? 104 CA 1
   ATOM 1771 C . LEU A 104 ? -8.94790 0.96710 1.44667 1.000 18.17391 C ? A ? 104 C 1
   ATOM 1772 O . LEU A 104 ? -9.83099 0.43918 0.77121 1.000 18.11823 O ? A ? 104 O 1
   ATOM 1773 CB . LEU A 104 ? -9.19043 1.04816 3.90750 1.000 16.62482 C ? A ? 104 CB 1
   ATOM 1774 CG . LEU A 104 ? -8.96604 0.44644 5.29980 1.000 16.30492 C ? A ? 104 CG 1
   ATOM 1775 CD1 . LEU A 104 ? -9.42084 1.43641 6.39284 1.000 17.98762 C ? A ? 104 CD1 1
   ATOM 1776 CD2 . LEU A 104 ? -9.61055 -0.82926 5.54870 1.000 17.39904 C ? A ? 104 CD2 1
   ATOM 1777 H . LEU A 104 ? -6.79250 1.07755 3.34025 1.000 17.75161 H ? A ? 104 H 1
   ATOM 1778 HA . LEU A 104 ? -8.84730 -0.58083 2.76958 1.000 19.36058 H ? A ? 104 HA 1
   ATOM 1779 HB2 . LEU A 104 ? -8.85233 1.95703 3.93069 1.000 19.99846 H ? A ? 104 HB2 1
   ATOM 1780 HB3 . LEU A 104 ? -10.14741 1.05413 3.74920 1.000 19.99846 H ? A ? 104 HB3 1
   ATOM 1781 HG . LEU A 104 ? -8.01201 0.27582 5.34012 1.000 19.61457 H ? A ? 104 HG 1
   ATOM 1782 HD11 . LEU A 104 ? -9.22406 1.05747 7.26380 1.000 21.63382 H ? A ? 104 HD11 1
   ATOM 1783 HD12 . LEU A 104 ? -8.94253 2.27275 6.28026 1.000 21.63382 H ? A ? 104 HD12 1
   ATOM 1784 HD13 . LEU A 104 ? -10.37512 1.58677 6.30547 1.000 21.63382 H ? A ? 104 HD13 1
   ATOM 1785 HD21 . LEU A 104 ? -9.44474 -1.09295 6.46733 1.000 20.92752 H ? A ? 104 HD21 1
   ATOM 1786 HD22 . LEU A 104 ? -10.56427 -0.73589 5.39837 1.000 20.92752 H ? A ? 104 HD22 1
   ATOM 1787 HD23 . LEU A 104 ? -9.24353 -1.49202 4.94294 1.000 20.92752 H ? A ? 104 HD23 1
   ATOM 1788 N . LYS A 105 ? -8.33713 2.08924 1.08358 1.000 16.81082 N ? A ? 105 N 1
   ATOM 1789 CA . LYS A 105 ? -8.72743 2.76216 -0.15219 1.000 19.44129 C ? A ? 105 CA 1
   ATOM 1790 C . LYS A 105 ? -7.68025 3.80362 -0.51969 1.000 19.14149 C ? A ? 105 C 1
   ATOM 1791 O . LYS A 105 ? -6.90296 4.26449 0.31589 1.000 17.17598 O ? A ? 105 O 1
   ATOM 1792 CB . LYS A 105 ? -10.11833 3.34806 -0.01672 1.000 25.19395 C ? A ? 105 CB 1
   ATOM 1793 CG . LYS A 105 ? -10.18787 4.42218 0.85682 1.000 25.85708 C ? A ? 105 CG 1
   ATOM 1794 CD . LYS A 105 ? -11.67235 4.89902 1.09815 1.000 36.30801 C ? A ? 105 CD 1
   ATOM 1795 CE . LYS A 105 ? -12.22970 5.69467 -0.05433 1.000 43.01571 C ? A ? 105 CE 1
   ATOM 1796 NZ . LYS A 105 ? -13.05478 6.86802 0.55062 1.000 55.43923 N ? A ? 105 NZ 1
   ATOM 1797 H . LYS A 105 ? -7.70726 2.47342 1.52546 1.000 20.22165 H ? A ? 105 H 1
   ATOM 1798 HA . LYS A 105 ? -8.73624 2.13345 -0.89079 1.000 23.37822 H ? A ? 105 HA 1
   ATOM 1799 HB2 . LYS A 105 ? -10.41377 3.65511 -0.88812 1.000 30.28141 H ? A ? 105 HB2 1
   ATOM 1800 HB3 . LYS A 105 ? -10.71642 2.65904 0.31257 1.000 30.28141 H ? A ? 105 HB3 1
   ATOM 1801 HG2 . LYS A 105 ? -9.81146 4.16217 1.71216 1.000 31.07717 H ? A ? 105 HG2 1
   ATOM 1802 HG3 . LYS A 105 ? -9.68800 5.16662 0.48691 1.000 31.07717 H ? A ? 105 HG3 1
   ATOM 1803 HD2 . LYS A 105 ? -12.23728 4.12070 1.22448 1.000 43.61828 H ? A ? 105 HD2 1
   ATOM 1804 HD3 . LYS A 105 ? -11.69900 5.46017 1.88891 1.000 43.61828 H ? A ? 105 HD3 1
   ATOM 1805 HE2 . LYS A 105 ? -11.50939 6.05263 -0.59646 1.000 51.66752 H ? A ? 105 HE2 1
   ATOM 1806 HE3 . LYS A 105 ? -12.80976 5.13915 -0.59823 1.000 51.66752 H ? A ? 105 HE3 1
   ATOM 1807 HZ1 . LYS A 105 ? -13.40862 7.35937 -0.10166 1.000 66.57575 H ? A ? 105 HZ1 1
   ATOM 1808 HZ2 . LYS A 105 ? -13.71098 6.54802 1.05964 1.000 66.57575 H ? A ? 105 HZ2 1
   ATOM 1809 HZ3 . LYS A 105 ? -12.52872 7.38497 1.04875 1.000 66.57575 H ? A ? 105 HZ3 1
   ATOM 1810 N . LEU A 106 ? -7.72249 4.20860 -1.78373 1.000 18.94587 N ? A ? 106 N 1
   ATOM 1811 CA . LEU A 106 ? -6.82654 5.19246 -2.37811 1.000 20.13612 C ? A ? 106 CA 1
   ATOM 1812 C . LEU A 106 ? -7.67246 6.35132 -2.83007 1.000 22.93357 C ? A ? 106 C 1
   ATOM 1813 O . LEU A 106 ? -8.68413 6.11490 -3.47550 1.000 22.85803 O ? A ? 106 O 1
   ATOM 1814 CB . LEU A 106 ? -6.11010 4.58870 -3.59163 1.000 20.39722 C ? A ? 106 CB 1
   ATOM 1815 CG . LEU A 106 ? -5.23864 3.44779 -3.17507 1.000 19.14677 C ? A ? 106 CG 1
   ATOM 1816 CD1 . LEU A 106 ? -4.63496 2.80479 -4.42647 1.000 19.16779 C ? A ? 106 CD1 1
   ATOM 1817 CD2 . LEU A 106 ? -4.23463 3.96576 -2.34753 1.000 18.34399 C ? A ? 106 CD2 1
   ATOM 1818 H . LEU A 106 ? -8.29612 3.90958 -2.35041 1.000 22.78372 H ? A ? 106 H 1
   ATOM 1819 HA . LEU A 106 ? -6.16397 5.49288 -1.73652 1.000 24.21202 H ? A ? 106 HA 1
   ATOM 1820 HB2 . LEU A 106 ? -6.76756 4.26123 -4.22520 1.000 24.52534 H ? A ? 106 HB2 1
   ATOM 1821 HB3 . LEU A 106 ? -5.55536 5.26593 -4.00940 1.000 24.52534 H ? A ? 106 HB3 1
   ATOM 1822 HG . LEU A 106 ? -5.73299 2.76557 -2.69433 1.000 23.02480 H ? A ? 106 HG 1
   ATOM 1823 HD11 . LEU A 106 ? -4.08009 2.05513 -4.15996 1.000 23.05002 H ? A ? 106 HD11 1
   ATOM 1824 HD12 . LEU A 106 ? -5.35321 2.49688 -5.00110 1.000 23.05002 H ? A ? 106 HD12 1
   ATOM 1825 HD13 . LEU A 106 ? -4.09800 3.46446 -4.89275 1.000 23.05002 H ? A ? 106 HD13 1
   ATOM 1826 HD21 . LEU A 106 ? -3.54472 3.29415 -2.22977 1.000 22.06147 H ? A ? 106 HD21 1
   ATOM 1827 HD22 . LEU A 106 ? -3.85854 4.75672 -2.76448 1.000 22.06147 H ? A ? 106 HD22 1
   ATOM 1828 HD23 . LEU A 106 ? -4.62138 4.19684 -1.48851 1.000 22.06147 H ? A ? 106 HD23 1
   ATOM 1829 N . GLU A 107 ? -7.27694 7.56395 -2.47648 1.000 22.56755 N ? A ? 107 N 1
   ATOM 1830 CA . GLU A 107 ? -8.04120 8.80372 -2.88724 1.000 23.47314 C ? A ? 107 CA 1
   ATOM 1831 C . GLU A 107 ? -7.12962 10.01594 -3.13894 1.000 24.78277 C ? A ? 107 C 1
   ATOM 1832 O . GLU A 107 ? -5.91738 9.86873 -3.44695 1.000 24.11576 O ? A ? 107 O 1
   ATOM 1833 CB . GLU A 107 ? -9.07526 9.13072 -1.84910 1.000 24.41943 C ? A ? 107 CB 1
   ATOM 1834 CG . GLU A 107 ? -8.66118 9.54656 -0.53821 1.000 25.57089 C ? A ? 107 CG 1
   ATOM 1835 CD . GLU A 107 ? -9.73956 9.46685 0.55330 1.000 27.80773 C ? A ? 107 CD 1
   ATOM 1836 OE1 . GLU A 107 ? -10.65028 8.61856 0.60467 1.000 28.37739 O ? A ? 107 OE1 1
   ATOM 1837 OE2 . GLU A 107 ? -9.66041 10.26940 1.46542 1.000 27.43831 O ? A ? 107 OE2 1
   ATOM 1838 H . GLU A 107 ? -6.57804 7.72610 -2.00230 1.000 27.12973 H ? A ? 107 H 1
   ATOM 1839 HA . GLU A 107 ? -8.48556 8.62158 -3.73002 1.000 28.21644 H ? A ? 107 HA 1
   ATOM 1840 HB2 . GLU A 107 ? -9.62013 9.85158 -2.20178 1.000 29.35198 H ? A ? 107 HB2 1
   ATOM 1841 HB3 . GLU A 107 ? -9.61756 8.33658 -1.72200 1.000 29.35198 H ? A ? 107 HB3 1
   ATOM 1842 HG2 . GLU A 107 ? -7.92451 8.98157 -0.25712 1.000 30.73374 H ? A ? 107 HG2 1
   ATOM 1843 HG3 . GLU A 107 ? -8.37015 10.47050 -0.58866 1.000 30.73374 H ? A ? 107 HG3 1
   HETATM 1844 C1 . RAP A 501 ? 4.44776 8.12334 11.78821 1.000 10.09695 C ? B ? . C1 1
   HETATM 1845 C10 . RAP A 501 ? 2.00295 7.17425 16.53095 1.000 10.95932 C ? B ? . C10 1
   HETATM 1846 C11 . RAP A 501 ? 3.26268 7.92366 17.01247 1.000 10.17467 C ? B ? . C11 1
   HETATM 1847 C12 . RAP A 501 ? 2.84864 9.22718 17.70061 1.000 11.50988 C ? B ? . C12 1
   HETATM 1848 C13 . RAP A 501 ? 1.96834 10.04026 16.78920 1.000 12.23845 C ? B ? . C13 1
   HETATM 1849 C14 . RAP A 501 ? 0.80129 9.24439 16.33145 1.000 11.28969 C ? B ? . C14 1
   HETATM 1850 C15 . RAP A 501 ? -0.09610 9.89383 15.27935 1.000 13.09388 C ? B ? . C15 1
   HETATM 1851 C16 . RAP A 501 ? -0.85536 11.15246 15.74062 1.000 11.53514 C ? B ? . C16 1
   HETATM 1852 C17 . RAP A 501 ? -1.53531 11.87078 14.59298 1.000 11.62504 C ? B ? . C17 1
   HETATM 1853 C18 . RAP A 501 ? -1.05158 13.08771 14.31371 1.000 12.28745 C ? B ? . C18 1
   HETATM 1854 C19 . RAP A 501 ? -1.49165 13.97390 13.20315 1.000 12.34618 C ? B ? . C19 1
   HETATM 1855 C2 . RAP A 501 ? 3.97935 6.79345 12.18196 1.000 9.66347 C ? B ? . C2 1
   HETATM 1856 C20 . RAP A 501 ? -0.99886 15.21075 12.91549 1.000 11.53867 C ? B ? . C20 1
   HETATM 1857 C21 . RAP A 501 ? -1.39080 15.99388 11.74612 1.000 12.23042 C ? B ? . C21 1
   HETATM 1858 C22 . RAP A 501 ? -0.72495 17.04360 11.35330 1.000 12.22507 C ? B ? . C22 1
   HETATM 1859 C23 . RAP A 501 ? -0.88131 17.97351 10.16021 1.000 12.04293 C ? B ? . C23 1
   HETATM 1860 C24 . RAP A 501 ? 0.41373 17.87283 9.39199 1.000 15.40789 C ? B ? . C24 1
   HETATM 1861 C25 . RAP A 501 ? 1.09680 16.48390 9.10737 1.000 14.58431 C ? B ? . C25 1
   HETATM 1862 C26 . RAP A 501 ? 2.54651 16.69694 8.77843 1.000 15.75000 C ? B ? . C26 1
   HETATM 1863 C27 . RAP A 501 ? 3.50564 16.74361 9.94607 1.000 17.34039 C ? B ? . C27 1
   HETATM 1864 C28 . RAP A 501 ? 3.88830 15.26757 10.27308 1.000 15.89774 C ? B ? . C28 1
   HETATM 1865 C29 . RAP A 501 ? 2.90104 14.51076 11.07208 1.000 13.48593 C ? B ? . C29 1
   HETATM 1866 C3 . RAP A 501 ? 3.62186 5.92623 10.93865 1.000 8.98672 C ? B ? . C3 1
   HETATM 1867 C30 . RAP A 501 ? 2.28185 13.47225 10.49907 1.000 12.62955 C ? B ? . C30 1
   HETATM 1868 C31 . RAP A 501 ? 1.33452 12.54915 11.16326 1.000 12.24204 C ? B ? . C31 1
   HETATM 1869 C32 . RAP A 501 ? 2.05583 11.27271 11.57522 1.000 11.87213 C ? B ? . C32 1
   HETATM 1870 C33 . RAP A 501 ? 3.08972 11.32780 12.63222 1.000 11.74219 C ? B ? . C33 1
   HETATM 1871 C34 . RAP A 501 ? 4.31803 10.45795 12.34926 1.000 10.80760 C ? B ? . C34 1
   HETATM 1872 C35 . RAP A 501 ? 5.49035 10.78117 13.29923 1.000 10.71105 C ? B ? . C35 1
   HETATM 1873 C36 . RAP A 501 ? 6.09900 12.11650 12.87006 1.000 13.62173 C ? B ? . C36 1
   HETATM 1874 C37 . RAP A 501 ? 6.52620 12.29184 11.46880 1.000 13.72372 C ? B ? . C37 1
   HETATM 1875 C38 . RAP A 501 ? 7.24227 13.69732 11.35107 1.000 16.31498 C ? B ? . C38 1
   HETATM 1876 C39 . RAP A 501 ? 7.67599 13.91862 9.92958 1.000 17.29213 C ? B ? . C39 1
   HETATM 1877 C4 . RAP A 501 ? 2.19541 6.30377 10.44036 1.000 8.54370 C ? B ? . C4 1
   HETATM 1878 C40 . RAP A 501 ? 8.61365 12.81947 9.43644 1.000 18.42147 C ? B ? . C40 1
   HETATM 1879 C41 . RAP A 501 ? 7.90784 11.44208 9.51822 1.000 15.42962 C ? B ? . C41 1
   HETATM 1880 C42 . RAP A 501 ? 7.59161 11.26231 10.99376 1.000 13.48976 C ? B ? . C42 1
   HETATM 1881 C43 . RAP A 501 ? 4.03339 6.99584 17.95509 1.000 11.43038 C ? B ? . C43 1
   HETATM 1882 C44 . RAP A 501 ? -2.64524 11.20394 13.87201 1.000 13.10188 C ? B ? . C44 1
   HETATM 1883 C45 . RAP A 501 ? -1.17445 19.46179 10.49077 1.000 12.36000 C ? B ? . C45 1
   HETATM 1884 C46 . RAP A 501 ? 0.34004 15.87496 7.99871 1.000 16.45907 C ? B ? . C46 1
   HETATM 1885 C47 . RAP A 501 ? 2.84850 14.84888 12.50339 1.000 14.31866 C ? B ? . C47 1
   HETATM 1886 C48 . RAP A 501 ? 0.03936 12.37243 10.38476 1.000 12.08522 C ? B ? . C48 1
   HETATM 1887 C49 . RAP A 501 ? 5.06940 10.75094 14.76782 1.000 11.97560 C ? B ? . C49 1
   HETATM 1888 C5 . RAP A 501 ? 1.17367 6.15513 11.58594 1.000 9.71735 C ? B ? . C5 1
   HETATM 1889 C50 . RAP A 501 ? -2.46974 11.85284 17.30495 1.000 15.15582 C ? B ? . C50 1
   HETATM 1890 C51 . RAP A 501 ? 4.48154 18.85233 9.91281 1.000 24.71701 C ? B ? . C51 1
   HETATM 1891 C52 . RAP A 501 ? 8.01908 15.97292 8.90557 1.000 22.83959 C ? B ? . C52 1
   HETATM 1892 C6 . RAP A 501 ? 1.59110 6.98976 12.80506 1.000 9.54297 C ? B ? . C6 1
   HETATM 1893 C8 . RAP A 501 ? 3.27565 6.24476 14.42718 1.000 8.59994 C ? B ? . C8 1
   HETATM 1894 C9 . RAP A 501 ? 2.28894 6.04575 15.51417 1.000 8.87449 C ? B ? . C9 1
   HETATM 1895 N7 . RAP A 501 ? 2.95621 6.62755 13.21197 1.000 8.87237 N ? B ? . N7 1
   HETATM 1896 O1 . RAP A 501 ? 3.92031 9.04871 12.60105 1.000 10.19441 O ? B ? . O1 1
   HETATM 1897 O10 . RAP A 501 ? 4.11332 14.77124 9.01018 1.000 15.36715 O ? B ? . O10 1
   HETATM 1898 O11 . RAP A 501 ? 1.86943 10.29257 10.90306 1.000 12.47842 O ? B ? . O11 1
   HETATM 1899 O12 . RAP A 501 ? 8.49621 15.18205 10.02815 1.000 18.98730 O ? B ? . O12 1
   HETATM 1900 O13 . RAP A 501 ? 9.08903 13.14868 8.09965 1.000 18.82266 O ? B ? . O13 1
   HETATM 1901 O2 . RAP A 501 ? 5.14120 8.33723 10.85768 1.000 9.70567 O ? B ? . O2 1
   HETATM 1902 O3 . RAP A 501 ? 4.46408 6.04916 14.78817 1.000 10.11956 O ? B ? . O3 1
   HETATM 1903 O4 . RAP A 501 ? 1.74779 4.99103 15.54318 1.000 10.74591 O ? B ? . O4 1
   HETATM 1904 O5 . RAP A 501 ? 1.24509 8.03858 15.64869 1.000 10.46823 O ? B ? . O5 1
   HETATM 1905 O6 . RAP A 501 ? 1.24339 6.73858 17.59973 1.000 12.03948 O ? B ? . O6 1
   HETATM 1906 O7 . RAP A 501 ? -1.85232 10.68667 16.66762 1.000 14.67162 O ? B ? . O7 1
   HETATM 1907 O8 . RAP A 501 ? 2.75030 16.88933 7.62711 1.000 19.06113 O ? B ? . O8 1
   HETATM 1908 O9 . RAP A 501 ? 4.71345 17.42430 9.66083 1.000 19.75302 O ? B ? . O9 1
   HETATM 1909 H2 . RAP A 501 ? 4.76847 6.50533 12.66692 1.000 11.64484 H ? B ? . H2 1
   HETATM 1910 H11 . RAP A 501 ? 3.79501 8.17844 16.24266 1.000 12.25828 H ? B ? . H11 1
   HETATM 1911 H14 . RAP A 501 ? 0.28517 9.01165 17.11908 1.000 13.59631 H ? B ? . H14 1
   HETATM 1912 H16 . RAP A 501 ? -0.22871 11.75814 16.16647 1.000 13.89084 H ? B ? . H16 1
   HETATM 1913 H18 . RAP A 501 ? -0.37594 13.42250 14.85807 1.000 14.79362 H ? B ? . H18 1
   HETATM 1914 H19 . RAP A 501 ? -2.16834 13.65447 12.65092 1.000 14.86409 H ? B ? . H19 1
   HETATM 1915 H20 . RAP A 501 ? -0.37434 15.59286 13.48895 1.000 13.89508 H ? B ? . H20 1
   HETATM 1916 H21 . RAP A 501 ? -2.14502 15.72052 11.27567 1.000 14.72518 H ? B ? . H21 1
   HETATM 1917 H22 . RAP A 501 ? -0.00979 17.28948 11.89459 1.000 14.71876 H ? B ? . H22 1
   HETATM 1918 H23 . RAP A 501 ? -1.65500 17.68779 9.64966 1.000 14.50019 H ? B ? . H23 1
   HETATM 1919 H25 . RAP A 501 ? 1.12515 15.93945 9.90966 1.000 17.54985 H ? B ? . H25 1
   HETATM 1920 H27 . RAP A 501 ? 3.09122 17.18820 10.70204 1.000 20.85714 H ? B ? . H27 1
   HETATM 1921 H28 . RAP A 501 ? 4.67767 15.27694 10.83673 1.000 19.12596 H ? B ? . H28 1
   HETATM 1922 H30 . RAP A 501 ? 2.44374 13.29117 9.60135 1.000 15.20413 H ? B ? . H30 1
   HETATM 1923 H31 . RAP A 501 ? 1.10535 12.92665 12.02690 1.000 14.73912 H ? B ? . H31 1
   HETATM 1924 H34 . RAP A 501 ? 4.59063 10.50913 11.41976 1.000 13.01779 H ? B ? . H34 1
   HETATM 1925 H35 . RAP A 501 ? 6.16840 10.09104 13.22950 1.000 12.90194 H ? B ? . H35 1
   HETATM 1926 H37 . RAP A 501 ? 5.73252 12.22957 10.91465 1.000 16.51714 H ? B ? . H37 1
   HETATM 1927 H39 . RAP A 501 ? 6.90603 13.96273 9.34125 1.000 20.79923 H ? B ? . H39 1
   HETATM 1928 H40 . RAP A 501 ? 9.39213 12.80696 10.01497 1.000 22.15443 H ? B ? . H40 1
   HETATM 1929 HO1 . RAP A 501 ? 4.70277 14.16103 9.06204 1.000 18.48925 H ? B ? . HO1 1
   HETATM 1930 HO3 . RAP A 501 ? 9.89295 12.88043 8.03436 1.000 22.63587 H ? B ? . HO3 1
   HETATM 1931 HO6 . RAP A 501 ? 1.36884 5.90706 17.72359 1.000 14.49605 H ? B ? . HO6 1
   HETATM 1932 H121 . RAP A 501 ? 2.37976 9.03800 18.52841 1.000 13.86053 H ? B ? . H121 1
   HETATM 1933 H122 . RAP A 501 ? 3.63243 9.74272 17.94717 1.000 13.86053 H ? B ? . H122 1
   HETATM 1934 H131 . RAP A 501 ? 1.65535 10.83183 17.25434 1.000 14.73481 H ? B ? . H131 1
   HETATM 1935 H132 . RAP A 501 ? 2.47751 10.33691 16.01871 1.000 14.73481 H ? B ? . H132 1
   HETATM 1936 H151 . RAP A 501 ? -0.74873 9.24190 14.97940 1.000 15.76133 H ? B ? . H151 1
   HETATM 1937 H152 . RAP A 501 ? 0.44557 10.13390 14.51133 1.000 15.76133 H ? B ? . H152 1
   HETATM 1938 H241 . RAP A 501 ? 0.26610 18.29499 8.53125 1.000 18.53814 H ? B ? . H241 1
   HETATM 1939 H242 . RAP A 501 ? 1.06549 18.41521 9.86309 1.000 18.53814 H ? B ? . H242 1
   HETATM 1940 H331 . RAP A 501 ? 3.37718 12.24687 12.74873 1.000 14.13930 H ? B ? . H331 1
   HETATM 1941 H332 . RAP A 501 ? 2.69794 11.05132 13.47542 1.000 14.13930 H ? B ? . H332 1
   HETATM 1942 H361 . RAP A 501 ? 5.45927 12.81838 13.06757 1.000 16.39475 H ? B ? . H361 1
   HETATM 1943 H362 . RAP A 501 ? 6.86993 12.29247 13.43183 1.000 16.39475 H ? B ? . H362 1
   HETATM 1944 H381 . RAP A 501 ? 6.64561 14.41268 11.62155 1.000 19.62665 H ? B ? . H381 1
   HETATM 1945 H382 . RAP A 501 ? 8.01560 13.74095 11.93498 1.000 19.62665 H ? B ? . H382 1
   HETATM 1946 H411 . RAP A 501 ? 8.48690 10.73942 9.18377 1.000 18.56422 H ? B ? . H411 1
   HETATM 1947 H412 . RAP A 501 ? 7.10595 11.43451 8.97250 1.000 18.56422 H ? B ? . H412 1
   HETATM 1948 H421 . RAP A 501 ? 8.39750 11.36888 11.52300 1.000 16.23638 H ? B ? . H421 1
   HETATM 1949 H422 . RAP A 501 ? 7.26376 10.36422 11.15762 1.000 16.23638 H ? B ? . H422 1
   HETATM 1950 H431 . RAP A 501 ? 4.26892 6.16145 17.52010 1.000 13.76512 H ? B ? . H431 1
   HETATM 1951 H432 . RAP A 501 ? 4.85809 7.40423 18.26165 1.000 13.76512 H ? B ? . H432 1
   HETATM 1952 H433 . RAP A 501 ? 3.51153 6.77370 18.74200 1.000 13.76512 H ? B ? . H433 1
   HETATM 1953 H441 . RAP A 501 ? -3.45503 11.73335 13.94181 1.000 15.77093 H ? B ? . H441 1
   HETATM 1954 H442 . RAP A 501 ? -2.81174 10.32717 14.25207 1.000 15.77093 H ? B ? . H442 1
   HETATM 1955 H443 . RAP A 501 ? -2.42006 11.10005 12.93424 1.000 15.77093 H ? B ? . H443 1
   HETATM 1956 H451 . RAP A 501 ? -1.09854 20.01016 9.69426 1.000 14.88067 H ? B ? . H451 1
   HETATM 1957 H452 . RAP A 501 ? -2.07160 19.56280 10.84548 1.000 14.88067 H ? B ? . H452 1
   HETATM 1958 H453 . RAP A 501 ? -0.54682 19.79530 11.15088 1.000 14.88067 H ? B ? . H453 1
   HETATM 1959 H461 . RAP A 501 ? 0.43033 16.39921 7.18759 1.000 19.79956 H ? B ? . H461 1
   HETATM 1960 H462 . RAP A 501 ? 0.65924 14.97825 7.81182 1.000 19.79956 H ? B ? . H462 1
   HETATM 1961 H463 . RAP A 501 ? -0.60414 15.81717 8.21340 1.000 19.79956 H ? B ? . H463 1
   HETATM 1962 H471 . RAP A 501 ? 2.56060 14.08854 13.03244 1.000 17.23107 H ? B ? . H471 1
   HETATM 1963 H472 . RAP A 501 ? 2.22800 15.57585 12.66889 1.000 17.23107 H ? B ? . H472 1
   HETATM 1964 H473 . RAP A 501 ? 3.71939 15.12358 12.83048 1.000 17.23107 H ? B ? . H473 1
   HETATM 1965 H481 . RAP A 501 ? 0.21276 11.99362 9.50879 1.000 14.55093 H ? B ? . H481 1
   HETATM 1966 H482 . RAP A 501 ? -0.56714 11.77916 10.85497 1.000 14.55093 H ? B ? . H482 1
   HETATM 1967 H483 . RAP A 501 ? -0.40763 13.22444 10.26153 1.000 14.55093 H ? B ? . H483 1
   HETATM 1968 H491 . RAP A 501 ? 4.49962 11.50407 14.98925 1.000 14.41940 H ? B ? . H491 1
   HETATM 1969 H492 . RAP A 501 ? 5.83831 10.78526 15.35816 1.000 14.41940 H ? B ? . H492 1
   HETATM 1970 H493 . RAP A 501 ? 4.57700 9.94240 14.97927 1.000 14.41940 H ? B ? . H493 1
   HETATM 1971 H501 . RAP A 501 ? -3.13734 11.59272 17.95883 1.000 18.23566 H ? B ? . H501 1
   HETATM 1972 H502 . RAP A 501 ? -1.81399 12.39818 17.76701 1.000 18.23566 H ? B ? . H502 1
   HETATM 1973 H503 . RAP A 501 ? -2.91124 12.42390 16.65698 1.000 18.23566 H ? B ? . H503 1
   HETATM 1974 H511 . RAP A 501 ? 5.26113 19.37457 9.66703 1.000 29.70909 H ? B ? . H511 1
   HETATM 1975 H512 . RAP A 501 ? 3.72601 19.17311 9.39592 1.000 29.70909 H ? B ? . H512 1
   HETATM 1976 H513 . RAP A 501 ? 4.29520 19.00864 10.85183 1.000 29.70909 H ? B ? . H513 1
   HETATM 1977 H521 . RAP A 501 ? 8.46819 16.83200 8.87118 1.000 27.45618 H ? B ? . H521 1
   HETATM 1978 H522 . RAP A 501 ? 7.06561 16.13627 8.97717 1.000 27.45618 H ? B ? . H522 1
   HETATM 1979 H523 . RAP A 501 ? 8.18224 15.51603 8.06561 1.000 27.45618 H ? B ? . H523 1
   HETATM 1980 C1 . GOL A 1001 ? 18.15817 9.61095 13.39548 1.000 25.81544 C ? C ? . C1 1
   HETATM 1981 C2 . GOL A 1001 ? 19.53979 9.92688 13.59330 1.000 30.97495 C ? C ? . C2 1
   HETATM 1982 C3 . GOL A 1001 ? 20.28972 8.72041 13.16241 1.000 36.98796 C ? C ? . C3 1
   HETATM 1983 O1 . GOL A 1001 ? 17.53303 9.64414 14.63874 1.000 21.41813 O ? C ? . O1 1
   HETATM 1984 O2 . GOL A 1001 ? 19.67131 10.27576 14.94749 1.000 41.08647 O ? C ? . O2 1
   HETATM 1985 O3 . GOL A 1001 ? 19.49010 7.64793 13.59181 1.000 24.65218 O ? C ? . O3 1
   HETATM 1986 O . HOH A 1002 ? 7.12356 -8.23941 8.83703 1.000 11.19681 O ? D ? . O 1
   HETATM 1987 O . HOH A 1003 ? 13.85768 4.65108 17.48062 0.946 9.92997 O ? D ? . O 1
   HETATM 1988 O . HOH A 1004 ? 12.15921 3.60154 15.74443 0.984 9.33516 O ? D ? . O 1
   HETATM 1989 O . HOH A 1005 ? 14.97981 0.26525 21.74808 1.000 12.25691 O ? D ? . O 1
   HETATM 1990 O . HOH A 1006 ? 16.23712 -2.54693 16.99468 1.000 12.00295 O ? D ? . O 1
   HETATM 1991 O . HOH A 1007 ? 13.61349 -3.02771 18.98518 0.996 14.51205 O ? D ? . O 1
   HETATM 1992 O . HOH A 1008 ? 3.57672 2.28936 -5.03476 0.958 14.90579 O ? D ? . O 1
   HETATM 1993 O . HOH A 1009 ? 12.02681 7.34253 8.99777 0.988 12.82680 O ? D ? . O 1
   HETATM 1995 O . HOH A 1011 ? -0.26219 -6.88766 -3.29845 1.000 11.88450 O ? D ? . O 1
   HETATM 1996 O . HOH A 1012 ? -1.36685 0.13911 -9.68949 0.920 18.12656 O ? D ? . O 1
   HETATM 1997 O . HOH A 1013 ? 19.38645 3.61900 16.11816 0.941 14.83367 O ? D ? . O 1
   HETATM 1998 O . HOH A 1014 ? 7.98649 -3.42372 24.64687 0.997 19.28844 O ? D ? . O 1
   HETATM 1999 O . HOH A 1015 ? 4.45388 11.17127 2.99565 0.912 20.69924 O ? D ? . O 1
   HETATM 2000 O . HOH A 1016 ? 20.54149 8.03345 21.02984 1.000 15.50575 O ? D ? . O 1
   HETATM 2001 O . HOH A 1017 ? 7.85390 0.46902 -1.52251 1.000 11.98977 O ? D ? . O 1
   HETATM 2002 O . HOH A 1018 ? -1.56769 -9.01046 -1.96950 0.930 14.45574 O ? D ? . O 1
   HETATM 2003 O . HOH A 1019 ? 9.42822 -7.69029 2.40972 0.849 16.48021 O ? D ? . O 1
   HETATM 2004 O . HOH A 1020 ? 11.21320 -2.15902 19.65470 0.676 13.57938 O ? D ? . O 1
   HETATM 2006 O . HOH A 1022 ? 5.47560 -6.92849 -0.19737 1.000 12.84643 O ? D ? . O 1
   HETATM 2007 O . HOH A 1023 ? 3.00941 -6.62504 -0.91764 0.915 13.23428 O ? D ? . O 1
   HETATM 2008 O . HOH A 1024 ? 11.92330 3.39998 -2.16847 0.870 19.95375 O ? D ? . O 1
   HETATM 2010 O . HOH A 1026 ? 10.38429 -3.32156 1.44389 0.944 12.78916 O ? D ? . O 1
   HETATM 2011 O . HOH A 1027 ? 16.40535 5.88603 6.03901 0.911 18.82026 O ? D ? . O 1
   HETATM 2012 O . HOH A 1028 ? 4.15158 -11.92612 14.82722 0.864 20.89863 O ? D ? . O 1
   HETATM 2013 O . HOH A 1029 ? 13.00334 -4.80795 8.91302 0.888 16.34980 O ? D ? . O 1
   HETATM 2015 O . HOH A 1031 ? 4.29339 6.66451 26.21300 0.644 21.47408 O ? D ? . O 1
   HETATM 2016 O . HOH A 1032 ? -9.10041 -5.91281 -2.66162 0.739 21.59859 O ? D ? . O 1
   HETATM 2017 O . HOH A 1033 ? 14.10070 -5.70911 18.42046 1.000 21.44844 O ? D ? . O 1
   HETATM 2018 O . HOH A 1034 ? -8.03860 -7.66080 13.57399 0.916 23.46922 O ? D ? . O 1
   HETATM 2019 O . HOH A 1035 ? -7.89741 -10.57265 1.06961 0.789 15.37431 O ? D ? . O 1
   HETATM 2020 O . HOH A 1036 ? 18.87346 3.86058 13.38787 1.000 14.90306 O ? D ? . O 1
   HETATM 2021 O . HOH A 1037 ? 12.95069 -7.63697 9.15181 0.712 21.55987 O ? D ? . O 1
   HETATM 2022 O . HOH A 1038 ? 0.93539 -10.28647 -0.90723 0.596 16.85219 O ? D ? . O 1
   HETATM 2023 O . HOH A 1039 ? 15.47047 -2.27656 20.86228 0.864 14.48737 O ? D ? . O 1
   HETATM 2024 O . HOH A 1040 ? 9.65286 -6.01613 0.21909 0.833 14.92840 O ? D ? . O 1
   HETATM 2025 O . HOH A 1041 ? 6.26891 2.96527 24.60651 0.820 20.25772 O ? D ? . O 1
   HETATM 2026 O . HOH A 1042 ? 14.20959 1.35524 0.69056 0.982 17.29684 O ? D ? . O 1
   HETATM 2027 O . HOH A 1043 ? 17.89137 -3.12781 14.81873 0.889 19.33052 O ? D ? . O 1
   HETATM 2028 O . HOH A 1044 ? 8.58721 -9.23095 12.83536 0.721 20.57455 O ? D ? . O 1
   HETATM 2029 O . HOH A 1045 ? 10.51010 0.80549 -1.63078 0.754 15.22486 O ? D ? . O 1
   HETATM 2030 O . HOH A 1046 ? 7.71633 10.83987 1.43946 0.987 23.31817 O ? D ? . O 1
   HETATM 2031 O . HOH A 1047 ? 21.25688 -1.35100 13.91519 0.914 31.07937 O ? D ? . O 1
   HETATM 2032 O . HOH A 1048 ? -9.09038 -8.52882 -3.83435 1.000 39.99131 O ? D ? . O 1
   HETATM 2033 O . HOH A 1049 ? 17.21533 10.41656 22.16268 0.845 21.23341 O ? D ? . O 1
   HETATM 2034 O . HOH A 1050 ? -9.57299 2.57548 -3.38162 0.970 21.04249 O ? D ? . O 1
   HETATM 2035 O . HOH A 1051 ? 12.13947 -0.25437 21.65616 0.578 12.49022 O ? D ? . O 1
   HETATM 2036 O . HOH A 1052 ? 8.00932 1.44200 26.49123 0.997 18.81258 O ? D ? . O 1
   HETATM 2037 O . HOH A 1054 ? 0.13853 -3.93242 -10.79164 0.936 22.30334 O ? D ? . O 1
   HETATM 2038 O . HOH A 1055 ? -5.73985 -2.82159 17.58205 1.000 28.01179 O ? D ? . O 1
   HETATM 2039 O . HOH A 1056 ? 18.32962 0.09049 11.30633 0.929 17.05128 O ? D ? . O 1
   HETATM 2040 O . HOH A 1058 ? 19.47440 8.89369 23.37553 0.875 15.69691 O ? D ? . O 1
   HETATM 2041 O . HOH A 1059 ? 9.61340 12.19396 15.75782 0.804 17.11396 O ? D ? . O 1
   HETATM 2042 O . HOH A 1060 ? 12.49889 8.53025 22.99354 0.562 16.79486 O ? D ? . O 1
   HETATM 2043 O . HOH A 1061 ? 5.33706 5.00492 -7.68145 0.916 25.30861 O ? D ? . O 1
   HETATM 2045 O . HOH A 1064 ? -7.22222 -4.04162 9.76706 0.993 23.72031 O ? D ? . O 1
   HETATM 2046 O . HOH A 1065 ? -6.00555 10.51659 9.67412 0.729 22.99979 O ? D ? . O 1
   HETATM 2047 O . HOH A 1066 ? 0.64935 -3.40091 24.96746 1.000 24.41278 O ? D ? . O 1
   HETATM 2048 O . HOH A 1067 ? -7.72499 2.08015 -9.90521 1.000 32.39158 O ? D ? . O 1
   HETATM 2049 O . HOH A 1068 ? 21.80475 9.99381 19.90137 0.949 21.92621 O ? D ? . O 1
   HETATM 2050 O . HOH A 1069 ? 13.07583 10.84871 21.43880 0.841 18.73537 O ? D ? . O 1
   HETATM 2051 O . HOH A 1070 ? 0.48394 7.48509 20.17496 0.840 20.50309 O ? D ? . O 1
   HETATM 2052 O . HOH A 1071 ? 11.34659 -0.89499 0.28328 0.733 18.73564 O ? D ? . O 1
   HETATM 2053 O . HOH A 1072 ? 7.63605 9.40729 4.33357 0.719 18.81451 O ? D ? . O 1
   HETATM 2054 O . HOH A 1073 ? 20.15777 1.40169 12.51595 0.794 25.33149 O ? D ? . O 1
   HETATM 2055 O . HOH A 1074 ? -9.81898 -3.80883 2.91869 0.869 22.64472 O ? D ? . O 1
   HETATM 2056 O . HOH A 1075 ? -8.57611 -8.24548 2.36298 0.598 19.53296 O ? D ? . O 1
   HETATM 2057 O . HOH A 1076 ? 11.15039 -3.97336 21.19407 0.598 17.47210 O ? D ? . O 1
   HETATM 2058 O . HOH A 1077 ? 11.47097 9.91688 9.44003 0.624 23.74710 O ? D ? . O 1
   HETATM 2059 O . HOH A 1078 ? 6.55451 9.24911 28.22813 0.823 18.71484 O ? D ? . O 1
   HETATM 2060 O . HOH A 1079 ? 7.76383 19.96344 8.84814 1.000 26.74412 O ? D ? . O 1
   HETATM 2061 O . HOH A 1080 ? -2.96206 8.18269 17.05747 0.668 20.54845 O ? D ? . O 1
   HETATM 2062 O . HOH A 1081 ? 14.33444 7.30898 7.53459 0.738 16.26466 O ? D ? . O 1
   HETATM 2063 O . HOH A 1082 ? -1.91597 -10.77338 -4.26922 0.834 24.54167 O ? D ? . O 1
   HETATM 2064 O . HOH A 1083 ? -7.73375 -9.25536 7.00118 0.678 17.94585 O ? D ? . O 1
   HETATM 2065 O . HOH A 1084 ? 5.73459 16.40541 6.34458 0.875 23.22910 O ? D ? . O 1
   HETATM 2066 O . HOH A 1085 ? -13.41099 1.46896 10.86226 1.000 39.30932 O ? D ? . O 1
   HETATM 2067 O . HOH A 1086 ? 19.31510 6.06201 11.88926 0.723 22.89429 O ? D ? . O 1
   HETATM 2068 O . HOH A 1087 ? -11.97166 8.51060 2.57214 1.000 35.64823 O ? D ? . O 1
   HETATM 2070 O . HOH A 1089 ? -4.10073 1.02482 -10.53941 0.770 29.29224 O ? D ? . O 1
   HETATM 2071 O . HOH A 1090 ? 17.12009 7.21847 10.24923 0.890 23.66181 O ? D ? . O 1
   HETATM 2072 O . HOH A 1091 ? 14.64560 8.24405 11.61404 0.625 17.50761 O ? D ? . O 1
   HETATM 2073 O . HOH A 1092 ? 7.61393 -9.85388 15.57232 0.773 24.53774 O ? D ? . O 1
   HETATM 2074 O . HOH A 1093 ? -4.21272 -10.76780 -4.99857 0.646 24.83663 O ? D ? . O 1
   HETATM 2075 O . HOH A 1094 ? 16.42456 9.02132 2.76145 0.889 30.41393 O ? D ? . O 1
   HETATM 2077 O . HOH A 1096 ? -8.36680 -8.23252 -1.42931 0.824 29.49607 O ? D ? . O 1
   HETATM 2078 O . HOH A 1097 ? 4.09394 -12.11617 2.24930 0.595 16.75683 O ? D ? . O 1
   HETATM 2079 O . HOH A 1098 ? 6.49761 -8.28222 17.42029 0.879 24.24367 O ? D ? . O 1
   HETATM 2080 O . HOH A 1099 ? -1.84484 15.21796 3.58436 0.868 24.35880 O ? D ? . O 1
   HETATM 2084 O . HOH A 1105 ? 10.99753 6.53450 0.66559 0.723 27.23419 O ? D ? . O 1
   HETATM 2085 O . HOH A 1107 ? 1.17645 5.93460 22.70863 0.724 20.99724 O ? D ? . O 1
   HETATM 2086 O . HOH A 1108 ? -0.77224 -9.87347 -8.51247 0.828 27.78671 O ? D ? . O 1
   HETATM 2087 O . HOH A 1109 ? -7.65820 -7.09793 4.66149 0.585 14.95756 O ? D ? . O 1
   HETATM 2088 O . HOH A 1110 ? -3.80993 3.31515 -7.80714 0.652 26.37269 O ? D ? . O 1
   HETATM 2089 O . HOH A 1111 ? 11.55038 10.36080 25.23374 0.835 29.20255 O ? D ? . O 1
   HETATM 2090 O . HOH A 1112 ? 15.08263 9.21816 24.49563 0.673 18.15387 O ? D ? . O 1
   HETATM 2092 O . HOH A 1114 ? -9.42050 -6.25065 8.76094 0.945 30.36986 O ? D ? . O 1
   HETATM 2096 O . HOH A 1119 ? 3.93271 4.10835 25.49728 0.709 26.47265 O ? D ? . O 1
   HETATM 2098 O . HOH A 1122 ? 15.66653 -4.46890 12.75082 0.860 24.61940 O ? D ? . O 1
   HETATM 2099 O . HOH A 1123 ? 7.88821 -12.45671 17.45320 0.968 29.64005 O ? D ? . O 1
   HETATM 2100 O . HOH A 1124 ? -10.96861 -3.91356 -1.13271 0.588 19.78995 O ? D ? . O 1
   HETATM 2103 O . HOH A 1127 ? 11.07761 11.29014 7.12159 0.584 28.73504 O ? D ? . O 1
   HETATM 2104 O . HOH A 1129 ? 15.21472 -4.42728 7.01413 0.951 28.81259 O ? D ? . O 1
   HETATM 2106 O . HOH A 1131 ? -3.75676 -1.23082 20.51255 0.997 35.82061 O ? D ? . O 1
   HETATM 2108 O . HOH A 1133 ? -4.10385 7.27507 14.10761 0.440 20.29487 O ? D ? . O 1
   HETATM 2109 O . HOH A 1134 ? 1.32609 10.21602 -9.49014 1.000 36.50171 O ? D ? . O 1
   HETATM 2110 O . HOH A 1135 ? -10.91271 -7.60737 3.06485 0.872 28.90401 O ? D ? . O 1
   HETATM 2111 O . HOH A 1136 ? -10.49726 -2.07593 0.60178 0.487 21.63035 O ? D ? . O 1
   HETATM 2112 O . HOH A 1137 ? -1.56060 12.60625 7.29549 0.556 19.51049 O ? D ? . O 1
   HETATM 2113 O . HOH A 1138 ? 6.12625 -14.70768 5.94804 0.764 23.88935 O ? D ? . O 1
   HETATM 2116 O . HOH A 1141 ? -11.28657 0.24122 -1.67903 0.611 23.94916 O ? D ? . O 1
   HETATM 2117 O . HOH A 1142 ? 14.05001 -2.07984 3.13856 0.938 18.68550 O ? D ? . O 1
   HETATM 2121 O . HOH A 1146 ? 9.11625 -11.32475 3.82704 0.659 29.24066 O ? D ? . O 1
   HETATM 2122 O . HOH A 1147 ? 11.21366 15.02128 8.50170 0.804 27.22239 O ? D ? . O 1
   HETATM 2125 O . HOH A 1150 ? 2.53500 -14.11377 4.66667 0.447 19.77089 O ? D ? . O 1
   HETATM 2126 O . HOH A 1151 ? 13.30774 12.65899 23.44725 0.845 30.20259 O ? D ? . O 1
   HETATM 3257 O . HOH S 1153 ? 15.31765 -4.62133 3.31253 1.000 30.64680 O ? E ? . O 1
   HETATM 3258 O . HOH S 1154 ? 12.28854 -8.09069 3.65843 0.752 25.92941 O ? E ? . O 1
   HETATM 3260 O . HOH S 1156 ? -9.16806 -3.44816 11.29742 1.000 32.72913 O ? E ? . O 1
   HETATM 3261 O . HOH S 1157 ? -6.88708 -5.49007 14.52928 0.672 31.61685 O ? E ? . O 1
   HETATM 3262 O . HOH S 1158 ? 6.91578 5.26942 26.30559 0.644 19.30955 O ? E ? . O 1
   HETATM 3264 O . HOH S 1160 ? 12.12638 -9.09140 20.91830 0.757 38.04375 O ? E ? . O 1
   HETATM 3265 O . HOH S 1161 ? -6.88658 3.54503 -7.31141 0.873 33.12456 O ? E ? . O 1
   HETATM 3267 O . HOH S 1163 ? -8.18431 3.72257 11.51809 0.575 28.54254 O ? E ? . O 1
   HETATM 3268 O . HOH S 1164 ? 14.17750 -7.30518 20.39852 0.897 32.32171 O ? E ? . O 1
   HETATM 3271 O . HOH S 1167 ? 3.41169 7.27232 28.68394 0.946 35.70035 O ? E ? . O 1
   HETATM 3273 O . HOH S 1169 ? 7.90223 18.21856 6.70210 0.917 30.96255 O ? E ? . O 1
   HETATM 3274 O . HOH S 1170 ? -5.73589 14.19465 1.78688 0.965 31.67517 O ? E ? . O 1
   HETATM 3278 O . HOH S 1174 ? 4.13959 5.01857 -5.40778 0.719 26.41682 O ? E ? . O 1
   HETATM 3280 O . HOH S 1176 ? 15.38164 10.24567 13.37480 0.606 26.99244 O ? E ? . O 1
   HETATM 3281 O . HOH S 1177 ? -5.54293 13.03301 -2.55781 0.840 30.45963 O ? E ? . O 1
   HETATM 3285 O . HOH S 1181 ? 2.62403 -16.49871 5.71638 0.873 33.72812 O ? E ? . O 1
   HETATM 3288 O . HOH S 1184 ? 8.66136 3.06348 -2.35034 0.516 22.49709 O ? E ? . O 1
   HETATM 3289 O . HOH S 1185 ? -0.73969 -1.17248 25.28496 0.713 29.59278 O ? E ? . O 1
   HETATM 3290 O . HOH S 1186 ? 10.22002 9.59534 5.62841 0.461 23.45041 O ? E ? . O 1
   HETATM 3291 O . HOH S 1187 ? 2.45343 -13.96659 1.12876 0.808 30.62280 O ? E ? . O 1
   HETATM 3293 O . HOH S 1189 ? -4.66831 -3.62981 19.53726 0.921 36.46184 O ? E ? . O 1
   HETATM 3295 O . HOH S 1191 ? 16.74153 7.98514 0.34138 0.875 29.37558 O ? E ? . O 1
   HETATM 3296 O . HOH S 1192 ? 19.28354 -1.70214 12.45039 0.688 30.37703 O ? E ? . O 1
   HETATM 3298 O . HOH S 1194 ? -0.42887 2.88780 -9.56517 0.582 22.61739 O ? E ? . O 1
   HETATM 3299 O . HOH S 1195 ? 13.37611 10.73462 15.41620 0.533 22.55648 O ? E ? . O 1
   HETATM 3325 O . HOH S 1196 ? 9.45594 6.60287 26.46909 1.000 18.05046 O ? F ? . O 1
   HETATM 3330 O . HOH S 1201 ? 1.84011 4.16442 24.08254 0.389 19.96108 O ? F ? . O 1
   HETATM 3331 O . HOH S 1202 ? 22.13144 1.05825 13.78639 0.948 38.21818 O ? F ? . O 1
   HETATM 3333 O . HOH S 1204 ? -10.53204 -1.56588 12.46216 0.989 41.16808 O ? F ? . O 1
   HETATM 3335 O . HOH S 1206 ? 4.31886 6.38107 30.60149 1.000 46.89860 O ? F ? . O 1
   HETATM 3342 O . HOH S 1213 ? 12.70539 -6.20492 21.73115 0.833 30.69978 O ? F ? . O 1
   HETATM 3344 O . HOH S 1215 ? 21.53085 5.44377 10.21869 0.937 38.74327 O ? F ? . O 1
   HETATM 3346 O . HOH S 1217 ? -7.35954 8.53955 -7.07812 0.836 32.68715 O ? F ? . O 1
   HETATM 3349 O . HOH S 1220 ? 17.12705 3.55164 1.86152 0.310 24.51950 O ? F ? . O 1
   HETATM 3352 O . HOH S 1223 ? 8.84699 -14.54365 16.74471 0.505 29.30302 O ? F ? . O 1
   HETATM 3357 O . HOH S 1228 ? 20.16215 7.07637 8.01120 1.000 40.75035 O ? F ? . O 1
   HETATM 3358 O . HOH S 1229 ? 7.94292 5.03698 -0.90971 0.565 19.79921 O ? F ? . O 1
   HETATM 3359 O . HOH S 1230 ? 14.67359 13.39703 21.43113 0.916 35.37972 O ? F ? . O 1
   HETATM 3369 O . HOH S 1231 ? 19.29055 5.49683 1.13816 1.000 27.75762 O ? G ? . O 1
   HETATM 3370 O . HOH S 1232 ? 17.53437 -4.16018 3.29856 1.000 31.94897 O ? G ? . O 1
   HETATM 3371 O . HOH S 1233 ? 15.22841 -4.17696 10.55867 0.449 21.12846 O ? G ? . O 1
   HETATM 3372 O . HOH S 1234 ? 3.70165 13.97252 -3.03074 0.716 25.27290 O ? G ? . O 1
   HETATM 3374 O . HOH S 1236 ? 5.41772 0.91435 25.27774 0.506 22.99140 O ? G ? . O 1
   HETATM 3375 O . HOH S 1237 ? 17.25320 0.50664 8.98738 0.267 17.22178 O ? G ? . O 1
   HETATM 3379 O . HOH S 1241 ? 7.99283 -11.62965 11.11117 0.372 21.45954 O ? G ? . O 1
   HETATM 3380 O . HOH S 1242 ? 14.07278 -7.29992 4.81201 0.559 31.71622 O ? G ? . O 1
   HETATM 3383 O . HOH S 1245 ? 12.63353 10.17220 27.38332 0.487 28.10883 O ? G ? . O 1
   HETATM 3388 O . HOH S 1250 ? 1.37679 -3.78990 27.21908 0.589 28.49313 O ? G ? . O 1
   HETATM 3391 O . HOH S 1253 ? 8.65852 -7.72215 25.92886 0.535 23.10748 O ? G ? . O 1
   HETATM 3396 O . HOH S 1258 ? 8.32366 13.22979 -2.72864 0.633 29.52453 O ? G ? . O 1
   HETATM 3397 O . HOH S 1259 ? 9.31246 -5.90147 23.29722 0.372 24.17707 O ? G ? . O 1
   HETATM 3398 O . HOH S 1260 ? -11.65679 -1.06458 14.55717 0.704 39.88671 O ? G ? . O 1
   HETATM 3399 O . HOH S 1261 ? 11.06272 -11.12245 21.47511 0.477 34.29268 O ? G ? . O 1
   HETATM 3400 O . HOH S 1262 ? 16.91172 -6.90984 21.86863 0.415 26.58400 O ? G ? . O 1
   HETATM 3401 O . HOH S 1263 ? 4.73606 -9.53065 1.11744 0.503 19.32630 O ? G ? . O 1
   HETATM 3404 O . HOH S 1266 ? 15.01128 -6.14308 15.02153 0.769 29.47854 O ? G ? . O 1
   HETATM 3405 O . HOH S 1267 ? 13.69675 9.24711 5.31244 0.562 20.26626 O ? G ? . O 1
   HETATM 3407 O . HOH S 1269 ? -0.87335 -5.52653 -13.06303 0.773 31.21621 O ? G ? . O 1
   HETATM 3409 O . HOH S 1271 ? 17.94959 7.79161 5.76219 0.563 25.03134 O ? G ? . O 1
   HETATM 3434 O . HOH S 1272 ? -7.40293 2.12324 17.76175 0.798 44.12124 O ? H ? . O 1
   HETATM 3435 O . HOH S 1273 ? 5.42549 8.78231 -5.32000 0.678 28.33092 O ? H ? . O 1
   HETATM 3436 O . HOH S 1274 ? 17.40177 -9.93827 22.24654 0.581 26.28167 O ? H ? . O 1
   HETATM 3439 O . HOH S 1277 ? -15.41495 3.76941 11.78235 0.802 36.00135 O ? H ? . O 1
   HETATM 3445 O . HOH S 1283 ? 8.75466 -12.97034 13.55449 0.777 28.25832 O ? H ? . O 1
   HETATM 3447 O . HOH S 1285 ? -14.21849 -1.38186 10.45231 0.906 34.04398 O ? H ? . O 1
   HETATM 3456 O . HOH S 1294 ? 10.79845 11.20667 1.13127 0.717 33.48836 O ? H ? . O 1
   HETATM 3457 O . HOH S 1295 ? -1.42521 11.43758 -7.45156 0.571 27.16008 O ? H ? . O 1
   HETATM 3458 O . HOH S 1296 ? -0.89816 15.17214 -4.50237 0.628 27.43795 O ? H ? . O 1
   HETATM 3459 O . HOH S 1297 ? 10.57217 -10.36106 11.31612 0.761 35.13902 O ? H ? . O 1
   HETATM 3460 O . HOH S 1298 ? 13.64238 -7.52829 13.00783 0.679 24.67033 O ? H ? . O 1
   HETATM 3461 O . HOH S 1299 ? 10.74157 -15.92467 17.18703 0.649 30.29164 O ? H ? . O 1
   HETATM 3474 O . HOH S 1301 ? 6.09115 6.18742 -1.41215 0.508 25.22455 O ? I ? . O 1
   HETATM 3475 O . HOH S 1302 ? 4.40815 -12.88138 16.68329 0.466 26.71411 O ? I ? . O 1
   HETATM 3476 O . HOH S 1303 ? -12.10070 -1.01384 18.56884 0.563 26.45608 O ? I ? . O 1
   HETATM 3477 O . HOH S 1304 ? -9.67906 -1.65496 9.12703 0.500 21.13222 O ? I ? . O 1
   HETATM 3482 O . HOH S 1309 ? -0.17121 7.59728 -1.75133 0.371 25.76652 O ? I ? . O 1
   HETATM 3484 O . HOH S 1311 ? -12.72241 6.85457 4.00931 0.738 36.30231 O ? I ? . O 1
   HETATM 3488 O . HOH S 1315 ? 9.41807 11.38547 -0.43503 0.431 36.57857 O ? I ? . O 1
   HETATM 3490 O . HOH S 1317 ? 11.54370 11.34513 5.08432 0.506 25.52188 O ? I ? . O 1
   HETATM 3492 O . HOH S 1319 ? -5.25840 4.78492 -7.49412 0.422 30.55680 O ? I ? . O 1
   HETATM 3494 O . HOH S 1321 ? -2.94945 13.03109 -3.91664 0.490 37.88855 O ? I ? . O 1
   HETATM 3495 O . HOH S 1322 ? 1.28553 -0.34307 25.15162 0.372 23.67848 O ? I ? . O 1

data_comp_RAP
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
   RAP C1 C C 0 0.257 -18.3428 -8.7186 -12.7343
   RAP O1 O O2 0 -0.284 -18.6982 -9.5564 -13.7001
   RAP O2 O O 0 -0.408 -17.7482 -9.0274 -11.7256
   RAP C2 C CH1 0 0.066 -18.6885 -7.2677 -13.0693
   RAP C3 C CH2 0 -0.185 -19.0381 -6.4450 -11.8258
   RAP C4 C CH2 0 -0.181 -20.4428 -6.7552 -11.3123
   RAP C5 C CH2 0 -0.173 -21.4698 -6.5598 -12.4266
   RAP C6 C CH2 0 -0.176 -21.1117 -7.4020 -13.6446
   RAP N7 N NT 0 -0.037 -19.7349 -7.1418 -14.0803
   RAP C8 C C 0 0.239 -19.3898 -6.8384 -15.3360
   RAP O3 O O 0 -0.460 -18.2332 -6.7192 -15.7469
   RAP C9 C C 0 0.142 -20.4784 -6.4643 -16.3491
   RAP O4 O O 0 -0.295 -20.8673 -5.3231 -16.3684
   RAP C10 C CT 0 0.343 -20.9390 -7.5241 -17.3757
   RAP O5 O O2 0 -0.346 -21.5272 -8.5050 -16.5387
   RAP O6 O OH1 0 -0.466 -21.8970 -6.9012 -18.1867
   RAP C11 C CH1 0 -0.070 -19.7651 -8.1255 -18.1765
   RAP C12 C CH2 0 -0.222 -20.2409 -9.3775 -18.9226
   RAP C13 C CH2 0 -0.193 -20.9489 -10.3599 -17.9906
   RAP C14 C CH1 0 0.092 -22.0612 -9.6579 -17.2300
   RAP C15 C CH2 0 -0.236 -22.7312 -10.4892 -16.1497
   RAP C16 C CH1 0 0.153 -23.4109 -11.7517 -16.6690
   RAP O7 O O2 0 -0.370 -24.4101 -11.3320 -17.6073
   RAP C17 C C 0 0.031 -23.9926 -12.5742 -15.5412
   RAP C18 C C1 0 -0.152 -23.5093 -13.8095 -15.3164
   RAP C19 C C1 0 -0.134 -23.8649 -14.6830 -14.2270
   RAP C20 C C1 0 -0.139 -23.2623 -15.8639 -13.9827
   RAP C21 C C1 0 -0.149 -23.5188 -16.6529 -12.8034
   RAP C22 C C1 0 -0.193 -22.8495 -17.7629 -12.4659
   RAP C23 C CH1 0 0.060 -23.0167 -18.4963 -11.1722
   RAP C24 C CH2 0 -0.293 -21.7298 -18.3842 -10.3280
   RAP C25 C CH1 0 0.012 -21.2961 -16.9282 -10.0436
   RAP C26 C C 0 0.182 -19.8790 -16.9736 -9.5218
   RAP O8 O O 0 -0.361 -19.6131 -17.0465 -8.3404
   RAP C27 C CH1 0 0.077 -18.7711 -16.9874 -10.5864
   RAP O9 O O2 0 -0.346 -17.5819 -17.5785 -10.1141
   RAP C28 C CH1 0 0.307 -18.4162 -15.5638 -11.0650
   RAP O10 O OH1 0 -0.520 -18.1284 -14.7915 -9.9087
   RAP C29 C C 0 -0.147 -19.4465 -14.9391 -11.9917
   RAP C30 C C1 0 -0.230 -20.1692 -13.8940 -11.5890
   RAP C31 C CH1 0 0.081 -21.2067 -13.1213 -12.3678
   RAP C32 C C 0 0.242 -20.5633 -11.7831 -12.7124
   RAP O11 O O 0 -0.393 -20.8124 -10.7699 -12.0895
   RAP C33 C CH2 0 -0.317 -19.5628 -11.7939 -13.8516
   RAP C34 C CH1 0 0.158 -18.3204 -10.9595 -13.5818
   RAP C35 C CH1 0 0.114 -17.1521 -11.2015 -14.5441
   RAP C36 C CH2 0 -0.327 -16.5010 -12.5763 -14.3496
   RAP C37 C CH1 0 -0.032 -15.9840 -12.9090 -12.9460
   RAP C38 C CH2 0 -0.191 -15.2749 -14.2668 -12.9790
   RAP C39 C CH1 0 0.192 -14.6746 -14.6890 -11.6423
   RAP O12 O O2 0 -0.383 -13.9709 -15.9144 -11.8623
   RAP C40 C CH1 0 0.062 -13.7571 -13.6032 -11.0965
   RAP O13 O OH1 0 -0.513 -13.2879 -14.0167 -9.8063
   RAP C41 C CH2 0 -0.189 -14.4883 -12.2670 -11.0201
   RAP C42 C CH2 0 -0.239 -15.0421 -11.8433 -12.3786
   RAP C43 C CH3 0 -0.381 -19.1035 -7.1109 -19.1036
   RAP C44 C CH3 0 -0.444 -25.0649 -11.9187 -14.7213
   RAP C45 C CH3 0 -0.378 -23.3595 -19.9739 -11.3991
   RAP C46 C CH3 0 -0.429 -22.2390 -16.1971 -9.0952
   RAP C47 C CH3 0 -0.422 -19.5140 -15.5673 -13.3529
   RAP C48 C CH3 0 -0.440 -22.4924 -12.9579 -11.5619
   RAP C49 C CH3 0 -0.478 -17.5422 -10.9965 -16.0081
   RAP C50 C CH3 0 -0.197 -24.9825 -12.4052 -18.3387
   RAP C51 C CH3 0 -0.206 -17.6570 -18.9947 -10.0058
   RAP C52 C CH3 0 -0.202 -14.0816 -16.8714 -10.8154
   RAP H2 H HCH1 0 0.123 -17.7746 -6.8732 -13.5173
   RAP H31A H HCH2 0 0.114 -18.2856 -6.6351 -11.0620
   RAP H32 H HCH2 0 0.112 -18.9720 -5.3896 -12.1006
   RAP H41 H HCH2 0 0.103 -20.4855 -7.7885 -10.9537
   RAP H42 H HCH2 0 0.110 -20.6753 -6.1121 -10.4616
   RAP H51 H HCH2 0 0.111 -22.4683 -6.8456 -12.0899
   RAP H52 H HCH2 0 0.102 -21.5076 -5.5051 -12.7152
   RAP H61 H HCH2 0 0.139 -21.1925 -8.4657 -13.4054
   RAP H62 H HCH2 0 0.141 -21.7851 -7.2079 -14.4735
   RAP HO6 H HOH1 0 0.351 -21.9353 -7.3399 -19.0455
   RAP H11 H HCH1 0 0.086 -19.0341 -8.4444 -17.4328
   RAP H121 H HCH2 0 0.115 -20.9152 -9.0962 -19.7401
   RAP H122 H HCH2 0 0.117 -19.3758 -9.8499 -19.3925
   RAP H131 H HCH2 0 0.121 -21.3663 -11.1870 -18.5673
   RAP H132 H HCH2 0 0.113 -20.2395 -10.7832 -17.2747
   RAP H14 H HCH1 0 0.066 -22.8202 -9.3083 -17.9352
   RAP H151 H HCH2 0 0.129 -21.9856 -10.7797 -15.4083
   RAP H152 H HCH2 0 0.116 -23.4676 -9.8641 -15.6416
   RAP H16 H HCH1 0 0.104 -22.6790 -12.3716 -17.1994
   RAP H18 H H 0 0.122 -22.7366 -14.1797 -15.9861
   RAP H19 H H 0 0.125 -24.6150 -14.3415 -13.5222
   RAP H20 H H 0 0.129 -22.4920 -16.2197 -14.6624
   RAP H21 H H 0 0.125 -24.2741 -16.2703 -12.1202
   RAP H22 H H 0 0.127 -22.0786 -18.1409 -13.1361
   RAP H23 H HCH1 0 0.087 -23.8372 -18.0322 -10.6187
   RAP H241 H HCH2 0 0.111 -21.8748 -18.9069 -9.3786
   RAP H242 H HCH2 0 0.122 -20.9315 -18.9098 -10.8608
   RAP H25 H HCH1 0 0.149 -21.2760 -16.4068 -11.0008
   RAP H27 H HCH1 0 0.140 -19.1432 -17.5457 -11.4521
   RAP H28 H HCH1 0 0.086 -17.5018 -15.7010 -11.6530
   RAP HO1 H HOH1 0 0.339 -17.7449 -13.9510 -10.1901
   RAP H30 H H 0 0.126 -20.0148 -13.5272 -10.5797
   RAP H31 H HCH1 0 0.132 -21.4259 -13.6260 -13.3088
   RAP H331 H HCH2 0 0.162 -19.2693 -12.8175 -14.0727
   RAP H332 H HCH2 0 0.167 -20.0779 -11.4182 -14.7398
   RAP H34 H HCH1 0 0.124 -17.9896 -11.1174 -12.5591
   RAP H35 H HCH1 0 0.095 -16.4103 -10.4397 -14.2882
   RAP H361 H HCH2 0 0.130 -17.2014 -13.3584 -14.6587
   RAP H362 H HCH2 0 0.103 -15.6587 -12.6336 -15.0470
   RAP H37 H HCH1 0 0.101 -16.8401 -12.9931 -12.2673
   RAP H381 H HCH2 0 0.120 -15.9664 -15.0448 -13.3104
   RAP H382 H HCH2 0 0.091 -14.4651 -14.2276 -13.7159
   RAP H39 H HCH1 0 0.036 -15.4722 -14.8589 -10.9095
   RAP H40 H HCH1 0 0.061 -12.9034 -13.5120 -11.7811
   RAP HO3 H HOH1 0 0.333 -12.7001 -13.3289 -9.4693
   RAP H411 H HCH2 0 0.092 -15.3070 -12.3614 -10.2986
   RAP H412 H HCH2 0 0.108 -13.8027 -11.5087 -10.6311
   RAP H421 H HCH2 0 0.092 -14.2172 -11.6856 -13.0832
   RAP H422 H HCH2 0 0.117 -15.5578 -10.8877 -12.2755
   RAP H431 H HCH3 0 0.128 -18.2328 -7.5633 -19.5813
   RAP H432 H HCH3 0 0.120 -19.7848 -6.7842 -19.8917
   RAP H433 H HCH3 0 0.126 -18.7664 -6.2288 -18.5573
   RAP H441 H HCH3 0 0.135 -25.6589 -12.6387 -14.1627
   RAP H442 H HCH3 0 0.146 -24.6345 -11.2139 -14.0029
   RAP H443 H HCH3 0 0.137 -25.7344 -11.3462 -15.3660
   RAP H451 H HCH3 0 0.122 -23.4703 -20.4949 -10.4454
   RAP H452 H HCH3 0 0.121 -24.2922 -20.0757 -11.9564
   RAP H453 H HCH3 0 0.116 -22.5681 -20.4701 -11.9670
   RAP H461 H HCH3 0 0.131 -21.8812 -15.1849 -8.8999
   RAP H462 H HCH3 0 0.135 -23.2349 -16.1220 -9.5311
   RAP H463 H HCH3 0 0.117 -22.3187 -16.7221 -8.1423
   RAP H471 H HCH3 0 0.136 -20.2262 -15.0709 -14.0061
   RAP H472 H HCH3 0 0.153 -18.5303 -15.5351 -13.8302
   RAP H473 H HCH3 0 0.148 -19.8035 -16.6190 -13.2880
   RAP H481 H HCH3 0 0.141 -23.2194 -12.3595 -12.1120
   RAP H482 H HCH3 0 0.141 -22.9303 -13.9348 -11.3609
   RAP H483 H HCH3 0 0.119 -22.2929 -12.4657 -10.6097
   RAP H491 H HCH3 0 0.128 -16.6560 -11.0601 -16.6419
   RAP H492 H HCH3 0 0.131 -18.2448 -11.7621 -16.3438
   RAP H493 H HCH3 0 0.153 -18.0013 -10.0210 -16.1654
   RAP H501 H HCH3 0 0.134 -25.6533 -11.9671 -19.0763
   RAP H502 H HCH3 0 0.113 -24.2075 -12.9858 -18.8525
   RAP H503 H HCH3 0 0.120 -25.5501 -13.0798 -17.6899
   RAP H511 H HCH3 0 0.140 -16.6693 -19.3417 -9.7075
   RAP H512 H HCH3 0 0.127 -18.3893 -19.3019 -9.2537
   RAP H513 H HCH3 0 0.119 -17.9250 -19.4427 -10.9688
   RAP H521 H HCH3 0 0.122 -13.5969 -17.7819 -11.1683
   RAP H522 H HCH3 0 0.112 -13.5848 -16.5289 -9.9046
   RAP H523 H HCH3 0 0.120 -15.1310 -17.0873 -10.5927

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
   RAP C1 O1 single 1.327 0.020 1.327
   RAP C1 O2 double 1.211 0.020 1.211
   RAP C1 C2 single 1.529 0.020 1.529
   RAP O1 C34 single 1.458 0.020 1.458
   RAP C2 C3 single 1.531 0.020 1.531
   RAP C2 N7 single 1.460 0.020 1.460
   RAP C2 H2 single 0.970 0.020 1.090
   RAP C3 C4 single 1.527 0.020 1.527
   RAP C3 H31A single 0.970 0.020 1.090
   RAP C3 H32 single 0.970 0.020 1.090
   RAP C4 C5 single 1.528 0.020 1.528
   RAP C4 H41 single 0.970 0.020 1.090
   RAP C4 H42 single 0.970 0.020 1.090
   RAP C5 C6 single 1.523 0.020 1.523
   RAP C5 H51 single 0.970 0.020 1.090
   RAP C5 H52 single 0.970 0.020 1.090
   RAP C6 N7 single 1.467 0.020 1.467
   RAP C6 H61 single 0.970 0.020 1.090
   RAP C6 H62 single 0.970 0.020 1.090
   RAP N7 C8 single 1.337 0.020 1.337
   RAP C8 O3 double 1.233 0.020 1.233
   RAP C8 C9 single 1.533 0.020 1.533
   RAP C9 O4 double 1.206 0.020 1.206
   RAP C9 C10 single 1.546 0.020 1.546
   RAP C10 O5 single 1.417 0.020 1.417
   RAP C10 O6 single 1.401 0.020 1.401
   RAP C10 C11 single 1.543 0.020 1.543
   RAP O5 C14 single 1.446 0.020 1.446
   RAP O6 HO6 single 0.850 0.020 0.980
   RAP C11 C12 single 1.533 0.020 1.533
   RAP C11 C43 single 1.525 0.020 1.525
   RAP C11 H11 single 0.970 0.020 1.090
   RAP C12 C13 single 1.528 0.020 1.528
   RAP C12 H121 single 0.970 0.020 1.090
   RAP C12 H122 single 0.970 0.020 1.090
   RAP C13 C14 single 1.519 0.020 1.519
   RAP C13 H131 single 0.970 0.020 1.090
   RAP C13 H132 single 0.970 0.020 1.090
   RAP C14 C15 single 1.519 0.020 1.519
   RAP C14 H14 single 0.970 0.020 1.090
   RAP C15 C16 single 1.525 0.020 1.525
   RAP C15 H151 single 0.970 0.020 1.090
   RAP C15 H152 single 0.970 0.020 1.090
   RAP C16 O7 single 1.434 0.020 1.434
   RAP C16 C17 single 1.512 0.020 1.512
   RAP C16 H16 single 0.970 0.020 1.090
   RAP O7 C50 single 1.419 0.020 1.419
   RAP C17 C18 double 1.345 0.020 1.345
   RAP C17 C44 single 1.501 0.020 1.501
   RAP C18 C19 single 1.441 0.020 1.441
   RAP C18 H18 single 0.930 0.020 1.080
   RAP C19 C20 double 1.348 0.020 1.348
   RAP C19 H19 single 0.930 0.020 1.080
   RAP C20 C21 single 1.442 0.020 1.442
   RAP C20 H20 single 0.930 0.020 1.080
   RAP C21 C22 double 1.339 0.020 1.339
   RAP C21 H21 single 0.930 0.020 1.080
   RAP C22 C23 single 1.496 0.020 1.496
   RAP C22 H22 single 0.930 0.020 1.080
   RAP C23 C24 single 1.543 0.020 1.543
   RAP C23 C45 single 1.534 0.020 1.534
   RAP C23 H23 single 0.970 0.020 1.090
   RAP C24 C25 single 1.546 0.020 1.546
   RAP C24 H241 single 0.970 0.020 1.090
   RAP C24 H242 single 0.970 0.020 1.090
   RAP C25 C26 single 1.511 0.020 1.511
   RAP C25 C46 single 1.524 0.020 1.524
   RAP C25 H25 single 0.970 0.020 1.090
   RAP C26 O8 double 1.213 0.020 1.213
   RAP C26 C27 single 1.537 0.020 1.537
   RAP C27 O9 single 1.410 0.020 1.410
   RAP C27 C28 single 1.543 0.020 1.543
   RAP C27 H27 single 0.970 0.020 1.090
   RAP O9 C51 single 1.422 0.020 1.422
   RAP C28 O10 single 1.420 0.020 1.420
   RAP C28 C29 single 1.520 0.020 1.520
   RAP C28 H28 single 0.970 0.020 1.090
   RAP O10 HO1 single 0.850 0.020 0.980
   RAP C29 C30 double 1.333 0.020 1.333
   RAP C29 C47 single 1.501 0.020 1.501
   RAP C30 C31 single 1.510 0.020 1.510
   RAP C30 H30 single 0.930 0.020 1.080
   RAP C31 C32 single 1.524 0.020 1.524
   RAP C31 C48 single 1.526 0.020 1.526
   RAP C31 H31 single 0.970 0.020 1.090
   RAP C32 O11 double 1.215 0.020 1.215
   RAP C32 C33 single 1.516 0.020 1.516
   RAP C33 C34 single 1.521 0.020 1.521
   RAP C33 H331 single 0.970 0.020 1.090
   RAP C33 H332 single 0.970 0.020 1.090
   RAP C34 C35 single 1.533 0.020 1.533
   RAP C34 H34 single 0.970 0.020 1.090
   RAP C35 C36 single 1.534 0.020 1.534
   RAP C35 C49 single 1.529 0.020 1.529
   RAP C35 H35 single 0.970 0.020 1.090
   RAP C36 C37 single 1.532 0.020 1.532
   RAP C36 H361 single 0.970 0.020 1.090
   RAP C36 H362 single 0.970 0.020 1.090
   RAP C37 C38 single 1.532 0.020 1.532
   RAP C37 C42 single 1.531 0.020 1.531
   RAP C37 H37 single 0.970 0.020 1.090
   RAP C38 C39 single 1.525 0.020 1.525
   RAP C38 H381 single 0.970 0.020 1.090
   RAP C38 H382 single 0.970 0.020 1.090
   RAP C39 O12 single 1.430 0.020 1.430
   RAP C39 C40 single 1.523 0.020 1.523
   RAP C39 H39 single 0.970 0.020 1.090
   RAP O12 C52 single 1.423 0.020 1.423
   RAP C40 O13 single 1.434 0.020 1.434
   RAP C40 C41 single 1.525 0.020 1.525
   RAP C40 H40 single 0.970 0.020 1.090
   RAP O13 HO3 single 0.850 0.020 0.980
   RAP C41 C42 single 1.527 0.020 1.527
   RAP C41 H411 single 0.970 0.020 1.090
   RAP C41 H412 single 0.970 0.020 1.090
   RAP C42 H421 single 0.970 0.020 1.090
   RAP C42 H422 single 0.970 0.020 1.090
   RAP C43 H431 single 0.970 0.020 1.090
   RAP C43 H432 single 0.970 0.020 1.090
   RAP C43 H433 single 0.970 0.020 1.090
   RAP C44 H441 single 0.970 0.020 1.090
   RAP C44 H442 single 0.970 0.020 1.090
   RAP C44 H443 single 0.970 0.020 1.090
   RAP C45 H451 single 0.970 0.020 1.090
   RAP C45 H452 single 0.970 0.020 1.090
   RAP C45 H453 single 0.970 0.020 1.090
   RAP C46 H461 single 0.970 0.020 1.090
   RAP C46 H462 single 0.970 0.020 1.090
   RAP C46 H463 single 0.970 0.020 1.090
   RAP C47 H471 single 0.970 0.020 1.090
   RAP C47 H472 single 0.970 0.020 1.090
   RAP C47 H473 single 0.970 0.020 1.090
   RAP C48 H481 single 0.970 0.020 1.090
   RAP C48 H482 single 0.970 0.020 1.090
   RAP C48 H483 single 0.970 0.020 1.090
   RAP C49 H491 single 0.970 0.020 1.090
   RAP C49 H492 single 0.970 0.020 1.090
   RAP C49 H493 single 0.970 0.020 1.090
   RAP C50 H501 single 0.970 0.020 1.090
   RAP C50 H502 single 0.970 0.020 1.090
   RAP C50 H503 single 0.970 0.020 1.090
   RAP C51 H511 single 0.970 0.020 1.090
   RAP C51 H512 single 0.970 0.020 1.090
   RAP C51 H513 single 0.970 0.020 1.090
   RAP C52 H521 single 0.970 0.020 1.090
   RAP C52 H522 single 0.970 0.020 1.090
   RAP C52 H523 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
   RAP C2 C1 O2 122.38 3.000
   RAP C2 C1 O1 112.28 3.000
   RAP O2 C1 O1 125.22 3.000
   RAP C34 O1 C1 118.63 3.000
   RAP H2 C2 N7 106.53 3.000
   RAP H2 C2 C3 109.28 3.000
   RAP N7 C2 C3 110.62 3.000
   RAP H2 C2 C1 104.10 3.000
   RAP N7 C2 C1 113.30 3.000
   RAP C3 C2 C1 112.56 3.000
   RAP H32 C3 H31A 107.65 3.000
   RAP H32 C3 C4 109.66 3.000
   RAP H31A C3 C4 111.36 3.000
   RAP H32 C3 C2 107.51 3.000
   RAP H31A C3 C2 108.54 3.000
   RAP C4 C3 C2 111.95 3.000
   RAP H42 C4 H41 107.02 3.000
   RAP H42 C4 C5 110.48 3.000
   RAP H41 C4 C5 109.48 3.000
   RAP H42 C4 C3 109.77 3.000
   RAP H41 C4 C3 109.74 3.000
   RAP C5 C4 C3 110.30 3.000
   RAP H52 C5 H51 107.58 3.000
   RAP H52 C5 C6 109.28 3.000
   RAP H51 C5 C6 108.47 3.000
   RAP H52 C5 C4 109.80 3.000
   RAP H51 C5 C4 110.87 3.000
   RAP C6 C5 C4 110.75 3.000
   RAP H62 C6 H61 107.17 3.000
   RAP H62 C6 N7 108.88 3.000
   RAP H61 C6 N7 107.87 3.000
   RAP H62 C6 C5 111.46 3.000
   RAP H61 C6 C5 110.22 3.000
   RAP N7 C6 C5 111.10 3.000
   RAP C8 N7 C6 124.14 3.000
   RAP C8 N7 C2 118.99 3.000
   RAP C6 N7 C2 116.83 3.000
   RAP C9 C8 O3 114.97 3.000
   RAP C9 C8 N7 119.51 3.000
   RAP O3 C8 N7 125.24 3.000
   RAP C10 C9 O4 122.83 3.000
   RAP C10 C9 C8 118.89 3.000
   RAP O4 C9 C8 118.06 3.000
   RAP C11 C10 O6 113.14 3.000
   RAP C11 C10 O5 110.64 3.000
   RAP O6 C10 O5 111.45 3.000
   RAP C11 C10 C9 112.66 3.000
   RAP O6 C10 C9 106.46 3.000
   RAP O5 C10 C9 101.89 3.000
   RAP C14 O5 C10 115.00 3.000
   RAP HO6 O6 C10 109.88 3.000
   RAP H11 C11 C43 108.56 3.000
   RAP H11 C11 C12 107.52 3.000
   RAP C43 C11 C12 112.46 3.000
   RAP H11 C11 C10 105.66 3.000
   RAP C43 C11 C10 112.72 3.000
   RAP C12 C11 C10 109.56 3.000
   RAP H122 C12 H121 106.10 3.000
   RAP H122 C12 C13 110.57 3.000
   RAP H121 C12 C13 109.56 3.000
   RAP H122 C12 C11 108.48 3.000
   RAP H121 C12 C11 110.13 3.000
   RAP C13 C12 C11 111.84 3.000
   RAP H132 C13 H131 107.50 3.000
   RAP H132 C13 C14 109.04 3.000
   RAP H131 C13 C14 109.56 3.000
   RAP H132 C13 C12 110.35 3.000
   RAP H131 C13 C12 110.01 3.000
   RAP C14 C13 C12 110.34 3.000
   RAP H14 C14 C15 109.12 3.000
   RAP H14 C14 C13 109.45 3.000
   RAP C15 C14 C13 115.22 3.000
   RAP H14 C14 O5 108.04 3.000
   RAP C15 C14 O5 105.02 3.000
   RAP C13 C14 O5 109.71 3.000
   RAP H152 C15 H151 107.29 3.000
   RAP H152 C15 C16 109.39 3.000
   RAP H151 C15 C16 108.40 3.000
   RAP H152 C15 C14 108.38 3.000
   RAP H151 C15 C14 109.12 3.000
   RAP C16 C15 C14 114.05 3.000
   RAP H16 C16 C17 108.07 3.000
   RAP H16 C16 O7 108.31 3.000
   RAP C17 C16 O7 112.29 3.000
   RAP H16 C16 C15 109.60 3.000
   RAP C17 C16 C15 111.58 3.000
   RAP O7 C16 C15 106.93 3.000
   RAP C50 O7 C16 113.39 3.000
   RAP C44 C17 C18 124.50 3.000
   RAP C44 C17 C16 116.41 3.000
   RAP C18 C17 C16 119.07 3.000
   RAP H18 C18 C19 115.76 3.000
   RAP H18 C18 C17 117.70 3.000
   RAP C19 C18 C17 126.46 3.000
   RAP H19 C19 C20 117.85 3.000
   RAP H19 C19 C18 118.11 3.000
   RAP C20 C19 C18 123.90 3.000
   RAP H20 C20 C21 117.28 3.000
   RAP H20 C20 C19 119.34 3.000
   RAP C21 C20 C19 123.24 3.000
   RAP H21 C21 C22 118.70 3.000
   RAP H21 C21 C20 116.40 3.000
   RAP C22 C21 C20 124.79 3.000
   RAP H22 C22 C23 116.16 3.000
   RAP H22 C22 C21 119.10 3.000
   RAP C23 C22 C21 124.62 3.000
   RAP H23 C23 C45 108.43 3.000
   RAP H23 C23 C24 108.54 3.000
   RAP C45 C23 C24 109.71 3.000
   RAP H23 C23 C22 108.27 3.000
   RAP C45 C23 C22 111.67 3.000
   RAP C24 C23 C22 110.13 3.000
   RAP H242 C24 H241 106.85 3.000
   RAP H242 C24 C25 109.72 3.000
   RAP H241 C24 C25 109.13 3.000
   RAP H242 C24 C23 107.88 3.000
   RAP H241 C24 C23 109.25 3.000
   RAP C25 C24 C23 113.77 3.000
   RAP H25 C25 C46 109.17 3.000
   RAP H25 C25 C26 107.47 3.000
   RAP C46 C25 C26 112.32 3.000
   RAP H25 C25 C24 107.11 3.000
   RAP C46 C25 C24 113.13 3.000
   RAP C26 C25 C24 107.37 3.000
   RAP C27 C26 O8 121.08 3.000
   RAP C27 C26 C25 115.93 3.000
   RAP O8 C26 C25 122.94 3.000
   RAP H27 C27 C28 107.65 3.000
   RAP H27 C27 O9 109.73 3.000
   RAP C28 C27 O9 107.26 3.000
   RAP H27 C27 C26 107.89 3.000
   RAP C28 C27 C26 111.86 3.000
   RAP O9 C27 C26 112.33 3.000
   RAP C51 O9 C27 113.49 3.000
   RAP H28 C28 C29 106.85 3.000
   RAP H28 C28 O10 109.63 3.000
   RAP C29 C28 O10 114.23 3.000
   RAP H28 C28 C27 104.05 3.000
   RAP C29 C28 C27 114.35 3.000
   RAP O10 C28 C27 107.20 3.000
   RAP HO1 O10 C28 108.45 3.000
   RAP C47 C29 C30 125.30 3.000
   RAP C47 C29 C28 114.30 3.000
   RAP C30 C29 C28 120.37 3.000
   RAP H30 C30 C31 113.87 3.000
   RAP H30 C30 C29 117.97 3.000
   RAP C31 C30 C29 128.17 3.000
   RAP H31 C31 C48 109.63 3.000
   RAP H31 C31 C32 107.23 3.000
   RAP C48 C31 C32 112.39 3.000
   RAP H31 C31 C30 110.27 3.000
   RAP C48 C31 C30 111.18 3.000
   RAP C32 C31 C30 106.01 3.000
   RAP C33 C32 O11 121.76 3.000
   RAP C33 C32 C31 116.24 3.000
   RAP O11 C32 C31 121.98 3.000
   RAP H332 C33 H331 106.58 3.000
   RAP H332 C33 C34 109.91 3.000
   RAP H331 C33 C34 109.39 3.000
   RAP H332 C33 C32 107.28 3.000
   RAP H331 C33 C32 109.73 3.000
   RAP C34 C33 C32 113.70 3.000
   RAP H34 C34 C35 109.64 3.000
   RAP H34 C34 C33 109.63 3.000
   RAP C35 C34 C33 115.13 3.000
   RAP H34 C34 O1 107.17 3.000
   RAP C35 C34 O1 107.37 3.000
   RAP C33 C34 O1 107.57 3.000
   RAP H35 C35 C49 107.68 3.000
   RAP H35 C35 C36 107.86 3.000
   RAP C49 C35 C36 110.49 3.000
   RAP H35 C35 C34 105.07 3.000
   RAP C49 C35 C34 112.67 3.000
   RAP C36 C35 C34 112.68 3.000
   RAP H362 C36 H361 105.96 3.000
   RAP H362 C36 C37 108.21 3.000
   RAP H361 C36 C37 108.63 3.000
   RAP H362 C36 C35 107.02 3.000
   RAP H361 C36 C35 109.46 3.000
   RAP C37 C36 C35 117.01 3.000
   RAP H37 C37 C42 107.73 3.000
   RAP H37 C37 C38 107.88 3.000
   RAP C42 C37 C38 109.88 3.000
   RAP H37 C37 C36 108.68 3.000
   RAP C42 C37 C36 113.31 3.000
   RAP C38 C37 C36 109.20 3.000
   RAP H382 C38 H381 106.82 3.000
   RAP H382 C38 C39 107.97 3.000
   RAP H381 C38 C39 108.54 3.000
   RAP H382 C38 C37 108.96 3.000
   RAP H381 C38 C37 110.17 3.000
   RAP C39 C38 C37 114.12 3.000
   RAP H39 C39 C40 108.02 3.000
   RAP H39 C39 O12 109.15 3.000
   RAP C40 C39 O12 111.69 3.000
   RAP H39 C39 C38 110.03 3.000
   RAP C40 C39 C38 110.73 3.000
   RAP O12 C39 C38 107.22 3.000
   RAP C52 O12 C39 115.14 3.000
   RAP H40 C40 C41 109.34 3.000
   RAP H40 C40 O13 109.30 3.000
   RAP C41 C40 O13 111.37 3.000
   RAP H40 C40 C39 107.71 3.000
   RAP C41 C40 C39 110.72 3.000
   RAP O13 C40 C39 108.31 3.000
   RAP HO3 O13 C40 107.93 3.000
   RAP H412 C41 H411 107.09 3.000
   RAP H412 C41 C42 110.57 3.000
   RAP H411 C41 C42 109.81 3.000
   RAP H412 C41 C40 108.95 3.000
   RAP H411 C41 C40 108.41 3.000
   RAP C42 C41 C40 111.87 3.000
   RAP H422 C42 H421 106.88 3.000
   RAP H422 C42 C41 109.30 3.000
   RAP H421 C42 C41 109.81 3.000
   RAP H422 C42 C37 110.73 3.000
   RAP H421 C42 C37 108.96 3.000
   RAP C41 C42 C37 111.07 3.000
   RAP H433 C43 H432 108.20 3.000
   RAP H433 C43 H431 107.92 3.000
   RAP H432 C43 H431 107.82 3.000
   RAP H433 C43 C11 111.56 3.000
   RAP H432 C43 C11 111.54 3.000
   RAP H431 C43 C11 109.65 3.000
   RAP H443 C44 H442 106.93 3.000
   RAP H443 C44 H441 108.39 3.000
   RAP H442 C44 H441 107.69 3.000
   RAP H443 C44 C17 110.16 3.000
   RAP H442 C44 C17 111.03 3.000
   RAP H441 C44 C17 112.44 3.000
   RAP H453 C45 H452 108.13 3.000
   RAP H453 C45 H451 108.09 3.000
   RAP H452 C45 H451 108.34 3.000
   RAP H453 C45 C23 110.63 3.000
   RAP H452 C45 C23 110.88 3.000
   RAP H451 C45 C23 110.67 3.000
   RAP H463 C46 H462 108.42 3.000
   RAP H463 C46 H461 108.30 3.000
   RAP H462 C46 H461 107.90 3.000
   RAP H463 C46 C25 110.97 3.000
   RAP H462 C46 C25 110.46 3.000
   RAP H461 C46 C25 110.70 3.000
   RAP H473 C47 H472 107.01 3.000
   RAP H473 C47 H471 107.56 3.000
   RAP H472 C47 H471 108.28 3.000
   RAP H473 C47 C29 111.16 3.000
   RAP H472 C47 C29 110.06 3.000
   RAP H471 C47 C29 112.55 3.000
   RAP H483 C48 H482 108.50 3.000
   RAP H483 C48 H481 108.35 3.000
   RAP H482 C48 H481 108.50 3.000
   RAP H483 C48 C31 110.81 3.000
   RAP H482 C48 C31 109.88 3.000
   RAP H481 C48 C31 110.73 3.000
   RAP H493 C49 H492 108.20 3.000
   RAP H493 C49 H491 108.09 3.000
   RAP H492 C49 H491 107.64 3.000
   RAP H493 C49 C35 111.46 3.000
   RAP H492 C49 C35 111.37 3.000
   RAP H491 C49 C35 109.94 3.000
   RAP H503 C50 H502 108.54 3.000
   RAP H503 C50 H501 109.26 3.000
   RAP H502 C50 H501 109.33 3.000
   RAP H503 C50 O7 111.70 3.000
   RAP H502 C50 O7 110.91 3.000
   RAP H501 C50 O7 107.05 3.000
   RAP H513 C51 H512 109.02 3.000
   RAP H513 C51 H511 109.42 3.000
   RAP H512 C51 H511 109.24 3.000
   RAP H513 C51 O9 110.68 3.000
   RAP H512 C51 O9 111.56 3.000
   RAP H511 C51 O9 106.88 3.000
   RAP H523 C52 H522 109.16 3.000
   RAP H523 C52 H521 109.11 3.000
   RAP H522 C52 H521 109.24 3.000
   RAP H523 C52 O12 110.93 3.000
   RAP H522 C52 O12 111.54 3.000
   RAP H521 C52 O12 106.80 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
   RAP CONST_01 C9 C8 N7 C2 180.00 0.0 0
   RAP CONST_02 C9 C8 N7 C6 0.00 0.0 0
   RAP CONST_03 O3 C8 N7 C2 0.00 0.0 0
   RAP CONST_04 O3 C8 N7 C6 180.00 0.0 0
   RAP Var_01 C19 C18 C17 C16 174.55 0.0 0
   RAP Var_02 C21 C20 C19 C18 172.49 0.0 0
   RAP Var_03 C23 C22 C21 C20 173.09 0.0 0
   RAP Var_04 C31 C30 C29 C28 178.37 0.0 0
   RAP Var_05 C33 C34 O1 C1 131.06 30.0 1
   RAP Var_06 C4 C3 C2 C1 -76.37 30.0 3
   RAP Var_07 C6 N7 C2 C1 75.89 30.0 1
   RAP Var_08 C8 N7 C2 C1 -102.29 30.0 1
   RAP Var_09 C3 C2 C1 O1 147.86 30.0 1
   RAP Var_10 N7 C2 C1 O1 21.40 30.0 1
   RAP Var_11 C32 C33 C34 O1 -74.16 30.0 1
   RAP Var_12 C34 O1 C1 C2 174.30 30.0 1
   RAP Var_13 C5 C4 C3 C2 -54.94 30.0 1
   RAP Var_14 C5 C6 N7 C2 53.10 30.0 3
   RAP Var_15 C6 N7 C2 C3 -51.58 30.0 1
   RAP Var_16 C8 N7 C2 C3 130.24 30.0 1
   RAP Var_17 C6 C5 C4 C3 55.59 30.0 1
   RAP Var_18 N7 C2 C3 C4 51.51 30.0 3
   RAP Var_19 N7 C6 C5 C4 -53.50 30.0 1
   RAP Var_20 C8 N7 C6 C5 -128.82 30.0 3
   RAP Var_21 C10 C9 C8 N7 -101.61 30.0 1
   RAP Var_22 O5 C10 C9 C8 64.87 30.0 1
   RAP Var_23 C11 C10 C9 C8 -53.70 30.0 1
   RAP Var_24 C14 O5 C10 C9 -179.79 30.0 1
   RAP Var_25 C12 C11 C10 C9 166.81 30.0 3
   RAP Var_26 C13 C14 O5 C10 60.34 30.0 1
   RAP Var_27 C15 C14 O5 C10 -175.27 30.0 1
   RAP Var_28 C13 C12 C11 C10 -51.62 30.0 1
   RAP Var_29 C12 C11 C10 O5 53.49 30.0 3
   RAP Var_30 C12 C13 C14 O5 -54.77 30.0 3
   RAP Var_31 C16 C15 C14 O5 178.17 30.0 1
   RAP Var_32 C14 O5 C10 C11 -59.79 30.0 1
   RAP Var_33 C14 C13 C12 C11 53.06 30.0 1
   RAP Var_34 C15 C14 C13 C12 -173.01 30.0 3
   RAP Var_35 C16 C15 C14 C13 -61.01 30.0 1
   RAP Var_36 C17 C16 C15 C14 176.87 30.0 1
   RAP Var_37 C18 C17 C16 C15 -116.65 30.0 1
   RAP Var_38 C20 C19 C18 C17 -173.85 30.0 1
   RAP Var_39 C22 C21 C20 C19 -173.34 30.0 1
   RAP Var_40 C24 C23 C22 C21 -112.75 30.0 1
   RAP Var_41 C25 C24 C23 C22 56.62 30.0 1
   RAP Var_42 C26 C25 C24 C23 -166.32 30.0 1
   RAP Var_43 C27 C26 C25 C24 85.71 30.0 1
   RAP Var_44 C28 C27 C26 C25 84.37 30.0 1
   RAP Var_45 C29 C28 C27 C26 -74.67 30.0 1
   RAP Var_46 C30 C29 C28 C27 112.15 30.0 1
   RAP Var_47 C32 C31 C30 C29 -106.98 30.0 1
   RAP Var_48 C33 C32 C31 C30 77.17 30.0 1
   RAP Var_49 C34 C33 C32 C31 -137.83 30.0 1
   RAP Var_50 C40 C39 C38 C37 -53.69 30.0 1
   RAP Var_51 C40 C41 C42 C37 57.34 30.0 1
   RAP Var_52 C41 C42 C37 C38 -53.92 30.0 1
   RAP Var_53 C41 C40 C39 C38 54.12 30.0 1
   RAP Var_54 C42 C37 C38 C39 53.28 30.0 1
   RAP Var_55 C42 C41 C40 C39 -57.12 30.0 1
   RAP Var_56 C44 C17 C18 C19 -3.83 0.0 0
   RAP Var_57 C47 C29 C30 C31 0.70 0.0 0
   RAP Var_58 C35 C34 O1 C1 -104.48 30.0 1
   RAP Var_59 C34 O1 C1 O2 -1.96 30.0 1
   RAP Var_60 C3 C2 C1 O2 -35.77 30.0 1
   RAP Var_61 N7 C2 C1 O2 -162.23 30.0 1
   RAP Var_62 O4 C9 C8 N7 83.63 30.0 1
   RAP Var_63 O6 C10 C9 C8 -178.27 30.0 1
   RAP Var_64 C10 C9 C8 O3 84.25 30.0 1
   RAP Var_65 C43 C11 C10 C9 -67.16 30.0 3
   RAP Var_66 O5 C10 C9 O4 -120.64 30.0 1
   RAP Var_67 C11 C10 C9 O4 120.80 30.0 1
   RAP Var_68 C43 C11 C10 O5 179.52 30.0 3
   RAP Var_69 C14 O5 C10 O6 67.02 30.0 1
   RAP Var_70 C12 C11 C10 O6 -72.38 30.0 3
   RAP Var_71 C43 C11 C12 C13 -177.80 30.0 1
   RAP Var_72 O7 C16 C15 C14 -59.99 30.0 1
   RAP Var_73 C44 C17 C16 C15 61.86 30.0 1
   RAP Var_74 C18 C17 C16 O7 123.32 30.0 1
   RAP Var_75 C45 C23 C22 C21 125.09 30.0 1
   RAP Var_76 C46 C25 C24 C23 69.19 30.0 1
   RAP Var_77 O8 C26 C25 C24 -91.55 30.0 1
   RAP Var_78 C45 C23 C24 C25 179.93 30.0 1
   RAP Var_79 O9 C27 C26 C25 -154.94 30.0 1
   RAP Var_80 O10 C28 C27 C26 53.04 30.0 1
   RAP Var_81 C28 C27 C26 O8 -98.31 30.0 1
   RAP Var_82 C46 C25 C26 C27 -149.31 30.0 1
   RAP Var_83 C47 C29 C28 C27 -69.94 30.0 1
   RAP Var_84 C29 C28 C27 O9 161.73 30.0 1
   RAP Var_85 C30 C29 C28 O10 -11.88 30.0 1
   RAP Var_86 C48 C31 C30 C29 130.59 30.0 1
   RAP Var_87 O11 C32 C31 C30 -101.11 30.0 1
   RAP Var_88 C35 C34 C33 C32 166.20 30.0 1
   RAP Var_89 C34 C33 C32 O11 40.45 30.0 1
   RAP Var_90 C48 C31 C32 C33 -161.18 30.0 1
   RAP Var_91 C39 C38 C37 C36 178.14 30.0 1
   RAP Var_92 C41 C42 C37 C36 -176.37 30.0 1
   RAP Var_93 O12 C39 C38 C37 -175.77 30.0 1
   RAP Var_94 O13 C40 C39 C38 176.51 30.0 1
   RAP Var_95 C41 C40 C39 O12 173.55 30.0 1
   RAP Var_96 C42 C41 C40 O13 -177.69 30.0 1
   RAP Var_97 H18 C18 C17 C16 -2.14 0.0 0
   RAP Var_98 H20 C20 C19 C18 -3.05 0.0 0
   RAP Var_99 H22 C22 C21 C20 -2.73 0.0 0
   RAP Var_100 H19 C19 C20 C21 -3.21 0.0 0
   RAP Var_101 H21 C21 C22 C23 -3.01 0.0 0
   RAP Var_102 H30 C30 C29 C28 -1.53 0.0 0
   RAP Var_103 H34 C34 O1 C1 13.24 30.0 1
   RAP Var_104 H31A C3 C2 C1 46.96 30.0 3
   RAP Var_105 H32 C3 C2 C1 163.13 30.0 3
   RAP Var_106 H2 C2 C1 O1 -93.92 30.0 1
   RAP Var_107 H331 C33 C34 O1 162.80 30.0 1
   RAP Var_108 H332 C33 C34 O1 46.10 30.0 1
   RAP Var_109 H41 C4 C3 C2 65.75 30.0 1
   RAP Var_110 H42 C4 C3 C2 -176.90 30.0 1
   RAP Var_111 H61 C6 N7 C2 -67.80 30.0 3
   RAP Var_112 H62 C6 N7 C2 176.22 30.0 3
   RAP Var_113 H51 C5 C4 C3 176.06 30.0 1
   RAP Var_114 H52 C5 C4 C3 -65.19 30.0 1
   RAP Var_115 H11 C11 C10 C9 51.25 30.0 3
   RAP Var_116 H14 C14 O5 C10 -58.91 30.0 1
   RAP Var_117 H121 C12 C11 C10 70.45 30.0 1
   RAP Var_118 H122 C12 C11 C10 -173.84 30.0 1
   RAP Var_119 H131 C13 C14 O5 -176.03 30.0 3
   RAP Var_120 H132 C13 C14 O5 66.57 30.0 3
   RAP Var_121 H151 C15 C14 O5 -60.46 30.0 1
   RAP Var_122 H152 C15 C14 O5 56.07 30.0 1
   RAP Var_123 H16 C16 C15 C14 57.20 30.0 1
   RAP Var_124 H23 C23 C22 C21 5.79 30.0 1
   RAP Var_125 H241 C24 C23 C22 178.85 30.0 1
   RAP Var_126 H242 C24 C23 C22 -65.35 30.0 1
   RAP Var_127 H25 C25 C24 C23 -51.14 30.0 1
   RAP Var_128 H27 C27 C26 C25 -33.86 30.0 1
   RAP Var_129 H28 C28 C27 C26 169.14 30.0 1
   RAP Var_130 H31 C31 C30 C29 8.77 30.0 1
   RAP Var_131 H39 C39 C38 C37 65.65 30.0 1
   RAP Var_132 H411 C41 C42 C37 -63.08 30.0 1
   RAP Var_133 H412 C41 C42 C37 178.96 30.0 1
   RAP Var_134 H421 C42 C37 C38 67.17 30.0 1
   RAP Var_135 H422 C42 C37 C38 -175.55 30.0 1
   RAP Var_136 H40 C40 C39 C38 -65.38 30.0 1
   RAP Var_137 H37 C37 C38 C39 -63.91 30.0 1
   RAP Var_138 H381 C38 C39 C40 -176.96 30.0 1
   RAP Var_139 H382 C38 C39 C40 67.60 30.0 1
   RAP Var_140 C36 C35 C34 O1 170.29 30.0 3
   RAP Var_141 C49 C35 C34 O1 -63.86 30.0 3
   RAP Var_142 O4 C9 C8 O3 -90.51 30.0 1
   RAP Var_143 O6 C10 C9 O4 -3.77 30.0 1
   RAP Var_144 C43 C11 C10 O6 53.66 30.0 3
   RAP Var_145 C50 O7 C16 C15 170.36 30.0 3
   RAP Var_146 C44 C17 C16 O7 -58.17 30.0 1
   RAP Var_147 C50 O7 C16 C17 -66.94 30.0 3
   RAP Var_148 C51 O9 C27 C26 74.04 30.0 3
   RAP Var_149 C46 C25 C26 O8 33.42 30.0 1
   RAP Var_150 O9 C27 C26 O8 22.39 30.0 1
   RAP Var_151 O10 C28 C27 O9 -70.56 30.0 1
   RAP Var_152 C51 O9 C27 C28 -162.65 30.0 3
   RAP Var_153 C47 C29 C28 O10 166.03 30.0 1
   RAP Var_154 C48 C31 C32 O11 20.54 30.0 1
   RAP Var_155 C36 C35 C34 C33 -69.96 30.0 3
   RAP Var_156 C49 C35 C34 C33 55.89 30.0 3
   RAP Var_157 C37 C36 C35 C34 -56.08 30.0 3
   RAP Var_158 C38 C37 C36 C35 -175.57 30.0 3
   RAP Var_159 C42 C37 C36 C35 -52.73 30.0 3
   RAP Var_160 C52 O12 C39 C38 -141.30 30.0 3
   RAP Var_161 O13 C40 C39 O12 -64.07 30.0 1
   RAP Var_162 C52 O12 C39 C40 97.22 30.0 3
   RAP Var_163 H35 C35 C34 O1 53.10 30.0 3
   RAP Var_164 HO6 O6 C10 C9 155.11 30.0 3
   RAP Var_165 H431 C43 C11 C10 175.34 30.0 3
   RAP Var_166 H432 C43 C11 C10 -65.30 30.0 3
   RAP Var_167 H433 C43 C11 C10 55.83 30.0 3
   RAP Var_168 H441 C44 C17 C16 161.11 30.0 3
   RAP Var_169 H442 C44 C17 C16 -78.15 30.0 3
   RAP Var_170 H443 C44 C17 C16 40.11 30.0 3
   RAP Var_171 H451 C45 C23 C22 179.57 30.0 3
   RAP Var_172 H452 C45 C23 C22 -60.17 30.0 3
   RAP Var_173 H453 C45 C23 C22 59.79 30.0 3
   RAP Var_174 H461 C46 C25 C24 178.40 30.0 3
   RAP Var_175 H462 C46 C25 C24 -62.16 30.0 3
   RAP Var_176 H463 C46 C25 C24 58.11 30.0 3
   RAP Var_177 HO1 O10 C28 C27 169.47 30.0 3
   RAP Var_178 H471 C47 C29 C28 -177.39 30.0 3
   RAP Var_179 H472 C47 C29 C28 -56.50 30.0 3
   RAP Var_180 H473 C47 C29 C28 61.88 30.0 3
   RAP Var_181 H481 C48 C31 C30 177.36 30.0 3
   RAP Var_182 H482 C48 C31 C30 -62.80 30.0 3
   RAP Var_183 H483 C48 C31 C30 57.09 30.0 3
   RAP Var_184 H361 C36 C37 C38 59.94 30.0 1
   RAP Var_185 H362 C36 C37 C38 -54.67 30.0 1
   RAP Var_186 HO3 O13 C40 C39 179.44 30.0 3
   RAP Var_187 C49 C35 C36 C37 176.89 30.0 2
   RAP Var_188 H501 C50 O7 C16 -174.94 30.0 3
   RAP Var_189 H502 C50 O7 C16 -55.73 30.0 3
   RAP Var_190 H503 C50 O7 C16 65.49 30.0 3
   RAP Var_191 H511 C51 O9 C27 175.85 30.0 3
   RAP Var_192 H512 C51 O9 C27 -64.81 30.0 3
   RAP Var_193 H513 C51 O9 C27 56.77 30.0 3
   RAP Var_194 H491 C49 C35 C34 173.16 30.0 3
   RAP Var_195 H492 C49 C35 C34 -67.62 30.0 3
   RAP Var_196 H493 C49 C35 C34 53.32 30.0 3
   RAP Var_197 H521 C52 O12 C39 173.72 30.0 3
   RAP Var_198 H522 C52 O12 C39 -66.99 30.0 3
   RAP Var_199 H523 C52 O12 C39 54.93 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
   RAP chir_01 C2 C1 C3 N7 positiv
   RAP chir_02 C10 O5 C9 C11 negativ
   RAP chir_03 C11 C10 C12 C43 negativ
   RAP chir_04 C14 O5 C15 C13 positiv
   RAP chir_05 C16 O7 C17 C15 positiv
   RAP chir_06 C23 C22 C24 C45 positiv
   RAP chir_07 C25 C46 C26 C24 negativ
   RAP chir_08 C27 O9 C28 C26 positiv
   RAP chir_09 C28 O10 C27 C29 negativ
   RAP chir_10 C31 C30 C32 C48 positiv
   RAP chir_11 C34 O1 C33 C35 negativ
   RAP chir_12 C35 C34 C36 C49 negativ
   RAP chir_13 C37 C36 C38 C42 negativ
   RAP chir_14 C39 O12 C38 C40 positiv
   RAP chir_15 C40 O13 C39 C41 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
   RAP plan-1 C2 0.020
   RAP plan-1 C6 0.020
   RAP plan-1 N7 0.020
   RAP plan-1 C8 0.020
   RAP plan-1 O3 0.020
   RAP plan-1 C9 0.020
   RAP plan-2 C18 0.020
   RAP plan-2 C19 0.020
   RAP plan-2 C20 0.020
   RAP plan-2 C21 0.020
   RAP plan-2 H19 0.020
   RAP plan-2 H20 0.020
   RAP plan-3 C20 0.020
   RAP plan-3 C21 0.020
   RAP plan-3 C22 0.020
   RAP plan-3 C23 0.020
   RAP plan-3 H21 0.020
   RAP plan-3 H22 0.020
   RAP plan-4 C28 0.020
   RAP plan-4 C29 0.020
   RAP plan-4 C30 0.020
   RAP plan-4 C31 0.020
   RAP plan-4 C47 0.020
   RAP plan-4 H30 0.020
   RAP plan-5 C8 0.020
   RAP plan-5 C9 0.020
   RAP plan-5 O4 0.020
   RAP plan-5 C10 0.020
   RAP plan-6 C25 0.020
   RAP plan-6 C26 0.020
   RAP plan-6 O8 0.020
   RAP plan-6 C27 0.020
   RAP plan-7 C31 0.020
   RAP plan-7 C32 0.020
   RAP plan-7 O11 0.020
   RAP plan-7 C33 0.020
   RAP plan-8 C1 0.020
   RAP plan-8 O1 0.020
   RAP plan-8 O2 0.020
   RAP plan-8 C2 0.020
   RAP plan-9 C16 0.020
   RAP plan-9 C17 0.020
   RAP plan-9 C18 0.020
   RAP plan-9 C19 0.020
   RAP plan-9 C44 0.020
   RAP plan-9 H18 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   RAP plan-1
   RAP plan-2
   RAP plan-3
   RAP plan-4
   RAP plan-5
   RAP plan-6
   RAP plan-7
   RAP plan-8
   RAP plan-9

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
   RAP RAP 'RAPAMYCIN IMMUNOSUPPRESSANT DRUG' ligand 144 65 .

data_comp_GOL
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
   GOL C1 C CH2 0 -0.152 29.6298 2.1025 30.9776
   GOL O1 O OH1 0 -0.666 28.2700 1.8661 30.7005
   GOL C2 C CH1 0 -0.013 30.2386 2.9038 29.8466
   GOL O2 O OH1 0 -0.668 29.6164 4.1681 29.8048
   GOL C3 C CH2 0 -0.170 31.7401 3.0348 30.0466
   GOL O3 O OH1 0 -0.671 32.2536 3.7872 28.9689
   GOL H11 H HCH2 0 0.194 29.7648 2.6515 31.9197
   GOL H12 H HCH2 0 0.197 30.1916 1.1640 31.0710
   GOL HO1 H HOH1 0 0.452 27.9044 1.3487 31.4232
   GOL H2 H HCH1 0 0.200 30.0683 2.3541 28.9067
   GOL HO2 H HOH1 0 0.443 30.0828 4.6994 29.1509
   GOL H31 H HCH2 0 0.201 31.9376 3.5237 31.0094
   GOL H32 H HCH2 0 0.196 32.1887 2.0344 30.0909
   GOL HO3 H HOH1 0 0.457 33.1352 4.0920 29.2000

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
   GOL C1 O1 single 1.408 0.020 1.408
   GOL C1 C2 single 1.514 0.020 1.514
   GOL C1 H11 single 0.970 0.020 1.090
   GOL C1 H12 single 0.970 0.020 1.090
   GOL O1 HO1 single 0.850 0.020 0.980
   GOL C2 O2 single 1.410 0.020 1.410
   GOL C2 C3 single 1.520 0.020 1.520
   GOL C2 H2 single 0.970 0.020 1.090
   GOL O2 HO2 single 0.850 0.020 0.980
   GOL C3 O3 single 1.411 0.020 1.411
   GOL C3 H31 single 0.970 0.020 1.090
   GOL C3 H32 single 0.970 0.020 1.090
   GOL O3 HO3 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
   GOL H12 C1 H11 106.94 3.000
   GOL H12 C1 C2 108.08 3.000
   GOL H11 C1 C2 109.07 3.000
   GOL H12 C1 O1 111.57 3.000
   GOL H11 C1 O1 111.79 3.000
   GOL C2 C1 O1 109.28 3.000
   GOL HO1 O1 C1 108.05 3.000
   GOL H2 C2 C3 107.93 3.000
   GOL H2 C2 O2 110.73 3.000
   GOL C3 C2 O2 111.25 3.000
   GOL H2 C2 C1 108.12 3.000
   GOL C3 C2 C1 110.15 3.000
   GOL O2 C2 C1 108.63 3.000
   GOL HO2 O2 C2 107.53 3.000
   GOL H32 C3 H31 107.28 3.000
   GOL H32 C3 O3 111.60 3.000
   GOL H31 C3 O3 111.52 3.000
   GOL H32 C3 C2 109.30 3.000
   GOL H31 C3 C2 109.36 3.000
   GOL O3 C3 C2 107.75 3.000
   GOL HO3 O3 C3 108.62 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
   GOL Var_01 O3 C3 C2 C1 -180.00 30.0 3
   GOL Var_02 O2 C2 C1 O1 64.36 30.0 3
   GOL Var_03 HO2 O2 C2 C1 173.53 30.0 3
   GOL Var_04 HO1 O1 C1 C2 179.36 30.0 3
   GOL Var_05 HO3 O3 C3 C2 164.00 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
   GOL GOL 'propane-1,2,3-triol      ' ligand 14 6 .

