data_2dg3_qFit
_cell.length_a                    44.605
_cell.length_b                    48.841
_cell.length_c                    53.966
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      117567.778
_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     13.85
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              18.11
_refine.ls_d_res_high             1.70
_refine.pdbx_ls_sigma_F           1.36
_refine.ls_percent_reflns_obs     95.65
_refine.ls_number_reflns_obs      12828
_refine.ls_number_reflns_R_work   11546
_refine.ls_number_reflns_R_free   1282
_refine.ls_R_factor_obs           0.1839
_refine.ls_R_factor_R_work        0.1799
_refine.ls_R_factor_R_free        0.2201
_refine.ls_percent_reflns_R_free  9.99
_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             0.1469
_refine.pdbx_overall_phase_error  20.3538
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                17.54
_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 1078 0.0090 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1477 1.0800 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 155 0.0586 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 198 0.0096 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 505 13.8272 ? ?

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' 3.53 18.11 1421 0.1719 98.87 0.1937 158
   'X-RAY DIFFRACTION' 2.81 3.53 1336 0.1582 98.21 0.2020 149
   'X-RAY DIFFRACTION' 2.45 2.81 1316 0.1737 98.19 0.1953 146
   'X-RAY DIFFRACTION' 2.23 2.45 1282 0.2232 96.09 0.2801 142
   'X-RAY DIFFRACTION' 2.07 2.23 1268 0.1861 95.27 0.2295 141
   'X-RAY DIFFRACTION' 1.95 2.07 1260 0.1695 95.89 0.2408 139
   'X-RAY DIFFRACTION' 1.85 1.95 1233 0.2301 93.32 0.3059 137
   'X-RAY DIFFRACTION' 1.77 1.85 1244 0.1634 94.53 0.1920 138
   'X-RAY DIFFRACTION' 1.70 1.77 1186 0.1605 90.15 0.2136 132

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale MET A 49 CE MET A 49 CE . LYS A 52 NZ LYS A 52 NZ . 'Bond created based on atom type and distance.'

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 3.54356 2.42580 . . 25.62398 1.50364 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   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
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . GLY A 1 ? 15.85561 -2.57742 8.04695 1.000 22.80229 N ? A ? 1 N 1
   ATOM 2 CA . GLY A 1 ? 14.87080 -1.70699 7.34027 1.000 12.99411 C ? A ? 1 CA 1
   ATOM 3 C . GLY A 1 ? 13.43781 -1.94868 7.78327 1.000 14.94977 C ? A ? 1 C 1
   ATOM 4 O . GLY A 1 ? 13.10105 -1.72980 8.94484 1.000 15.93028 O ? A ? 1 O 1
   ATOM 5 H1 . GLY A 1 ? 16.64749 -2.17181 8.06942 1.000 27.39963 H ? A ? 1 H1 1
   ATOM 6 H2 . GLY A 1 ? 15.57562 -2.72786 8.87826 1.000 27.39963 H ? A ? 1 H2 1
   ATOM 7 H3 . GLY A 1 ? 15.93102 -3.35168 7.61460 1.000 27.39963 H ? A ? 1 H3 1
   ATOM 8 HA2 . GLY A 1 ? 15.08801 -0.77715 7.51090 1.000 15.62981 H ? A ? 1 HA2 1
   ATOM 9 HA3 . GLY A 1 ? 14.92538 -1.87414 6.38634 1.000 15.62981 H ? A ? 1 HA3 1
   ATOM 10 N . VAL A 2 ? 12.59368 -2.35846 6.84047 1.000 10.17814 N ? A ? 2 N 1
   ATOM 11 CA . VAL A 2 ? 11.20496 -2.71936 7.10435 1.000 9.88921 C ? A ? 2 CA 1
   ATOM 12 C . VAL A 2 ? 10.91418 -4.05217 6.42260 1.000 11.82239 C ? A ? 2 C 1
   ATOM 13 O . VAL A 2 ? 11.15329 -4.21499 5.21479 1.000 14.59385 O ? A ? 2 O 1
   ATOM 14 CB . VAL A 2 ? 10.21326 -1.62280 6.64344 1.000 14.54714 C ? A ? 2 CB 1
   ATOM 15 CG1 . VAL A 2 ? 10.39552 -1.31025 5.19525 1.000 15.26677 C ? A ? 2 CG1 1
   ATOM 16 CG2 . VAL A 2 ? 8.78902 -2.05976 6.94888 1.000 10.97999 C ? A ? 2 CG2 1
   ATOM 17 H . VAL A 2 ? 12.81051 -2.43797 6.01206 1.000 12.25065 H ? A ? 2 H 1
   ATOM 18 HA . VAL A 2 ? 11.08353 -2.83932 8.05921 1.000 11.90394 H ? A ? 2 HA 1
   ATOM 19 HB . VAL A 2 ? 10.38925 -0.80264 7.13053 1.000 17.49345 H ? A ? 2 HB 1
   ATOM 20 HG11 . VAL A 2 ? 9.81415 -0.57155 4.95600 1.000 18.35701 H ? A ? 2 HG11 1
   ATOM 21 HG12 . VAL A 2 ? 11.32131 -1.06665 5.03883 1.000 18.35701 H ? A ? 2 HG12 1
   ATOM 22 HG13 . VAL A 2 ? 10.16677 -2.09417 4.67176 1.000 18.35701 H ? A ? 2 HG13 1
   ATOM 23 HG21 . VAL A 2 ? 8.18961 -1.31288 6.79468 1.000 13.21286 H ? A ? 2 HG21 1
   ATOM 24 HG22 . VAL A 2 ? 8.55355 -2.79863 6.36620 1.000 13.21286 H ? A ? 2 HG22 1
   ATOM 25 HG23 . VAL A 2 ? 8.73663 -2.33997 7.87604 1.000 13.21286 H ? A ? 2 HG23 1
   ATOM 26 N . GLN A 3 ? 10.42751 -5.00902 7.19753 1.000 10.93234 N ? A ? 3 N 1
   ATOM 27 CA . GLN A 3 ? 9.90189 -6.26963 6.69404 1.000 11.61853 C ? A ? 3 CA 1
   ATOM 28 C . GLN A 3 ? 8.39920 -6.15175 6.58629 1.000 10.67184 C ? A ? 3 C 1
   ATOM 29 O . GLN A 3 ? 7.75004 -5.63711 7.49607 1.000 12.03985 O ? A ? 3 O 1
   ATOM 30 CB . GLN A 3 ? 10.26896 -7.41475 7.63252 1.000 17.56965 C ? A ? 3 CB 1
   ATOM 31 CG . GLN A 3 ? 9.77262 -8.76267 7.13718 1.000 18.02314 C ? A ? 3 CG 1
   ATOM 32 CD . GLN A 3 ? 10.11679 -9.91498 8.04008 1.000 26.42908 C ? A ? 3 CD 1
   ATOM 33 OE1 . GLN A 3 ? 10.55355 -9.72702 9.17589 1.000 30.60307 O ? A ? 3 OE1 1
   ATOM 34 NE2 . GLN A 3 ? 9.91376 -11.13393 7.53630 1.000 29.67642 N ? A ? 3 NE2 1
   ATOM 35 H . GLN A 3 ? 10.38897 -4.94994 8.05463 1.000 13.15569 H ? A ? 3 H 1
   ATOM 36 HA . GLN A 3 ? 10.27067 -6.47040 5.81963 1.000 13.97911 H ? A ? 3 HA 1
   ATOM 37 HB2 . GLN A 3 ? 11.23463 -7.46081 7.71168 1.000 21.12046 H ? A ? 3 HB2 1
   ATOM 38 HB3 . GLN A 3 ? 9.87230 -7.24966 8.50218 1.000 21.12046 H ? A ? 3 HB3 1
   ATOM 39 HG2 . GLN A 3 ? 8.80634 -8.72853 7.05948 1.000 21.66465 H ? A ? 3 HG2 1
   ATOM 40 HG3 . GLN A 3 ? 10.16912 -8.94018 6.26989 1.000 21.66465 H ? A ? 3 HG3 1
   ATOM 41 HE21 . GLN A 3 ? 9.60341 -11.22360 6.73928 1.000 35.64859 H ? A ? 3 HE21 1
   ATOM 42 HE22 . GLN A 3 ? 10.09327 -11.82981 8.00867 1.000 35.64859 H ? A ? 3 HE22 1
   ATOM 43 N . VAL A 4 ? 7.84113 -6.61462 5.45479 1.000 10.45292 N ? A ? 4 N 1
   ATOM 44 CA . VAL A 4 ? 6.40836 -6.57373 5.18120 1.000 12.51079 C ? A ? 4 CA 1
   ATOM 45 C . VAL A 4 ? 5.92038 -8.01043 5.06824 1.000 13.05804 C ? A ? 4 C 1
   ATOM 46 O . VAL A 4 ? 6.36031 -8.75276 4.18231 1.000 13.91048 O ? A ? 4 O 1
   ATOM 47 CB . VAL A 4 ? 6.08431 -5.79379 3.88932 1.000 11.04229 C ? A ? 4 CB 1
   ATOM 48 CG1 . VAL A 4 ? 4.62025 -5.77791 3.65238 1.000 13.10561 C ? A ? 4 CG1 1
   ATOM 49 CG2 . VAL A 4 ? 6.66271 -4.35464 3.95442 1.000 13.58323 C ? A ? 4 CG2 1
   ATOM 50 H . VAL A 4 ? 8.29404 -6.96713 4.81431 1.000 12.58038 H ? A ? 4 H 1
   ATOM 51 HA . VAL A 4 ? 5.95559 -6.14147 5.92218 1.000 15.04983 H ? A ? 4 HA 1
   ATOM 52 HB . VAL A 4 ? 6.50307 -6.23939 3.13634 1.000 13.28763 H ? A ? 4 HB 1
   ATOM 53 HG11 . VAL A 4 ? 4.41998 -5.13273 2.95629 1.000 15.76362 H ? A ? 4 HG11 1
   ATOM 54 HG12 . VAL A 4 ? 4.33561 -6.66277 3.37507 1.000 15.76362 H ? A ? 4 HG12 1
   ATOM 55 HG13 . VAL A 4 ? 4.16999 -5.52809 4.47442 1.000 15.76362 H ? A ? 4 HG13 1
   ATOM 56 HG21 . VAL A 4 ? 6.38943 -3.86826 3.16091 1.000 16.33676 H ? A ? 4 HG21 1
   ATOM 57 HG22 . VAL A 4 ? 6.32112 -3.91257 4.74738 1.000 16.33676 H ? A ? 4 HG22 1
   ATOM 58 HG23 . VAL A 4 ? 7.63058 -4.40480 3.99469 1.000 16.33676 H ? A ? 4 HG23 1
   ATOM 59 N A GLU A 5 ? 5.00479 -8.39904 5.94744 0.278 10.87737 N ? A ? 5 N 1
   ATOM 60 CA A GLU A 5 ? 4.42795 -9.73784 5.92105 0.278 12.47956 C ? A ? 5 CA 1
   ATOM 61 C A GLU A 5 ? 2.92177 -9.60891 5.79463 0.278 11.65460 C ? A ? 5 C 1
   ATOM 62 O A GLU A 5 ? 2.27321 -9.03990 6.67141 0.278 10.90709 O ? A ? 5 O 1
   ATOM 63 CB A GLU A 5 ? 4.79097 -10.51923 7.17831 0.278 12.49035 C ? A ? 5 CB 1
   ATOM 64 CG A GLU A 5 ? 6.26657 -10.75055 7.32510 0.278 12.77432 C ? A ? 5 CG 1
   ATOM 65 CD A GLU A 5 ? 6.60001 -11.42545 8.62073 0.278 17.75619 C ? A ? 5 CD 1
   ATOM 66 OE1 A GLU A 5 ? 6.23972 -12.61008 8.79822 0.278 18.93542 O ? A ? 5 OE1 1
   ATOM 67 OE2 A GLU A 5 ? 7.20606 -10.74992 9.46742 0.278 16.86617 O ? A ? 5 OE2 1
   ATOM 68 H A GLU A 5 ? 4.69813 -7.89888 6.57625 0.278 13.08972 H ? A ? 5 H 1
   ATOM 69 HA A GLU A 5 ? 4.76678 -10.22241 5.15210 0.278 15.01235 H ? A ? 5 HA 1
   ATOM 70 HB2 A GLU A 5 ? 4.48787 -10.02312 7.95478 0.278 15.02530 H ? A ? 5 HB2 1
   ATOM 71 HB3 A GLU A 5 ? 4.35476 -11.38504 7.14677 0.278 15.02530 H ? A ? 5 HB3 1
   ATOM 72 HG2 A GLU A 5 ? 6.57493 -11.31620 6.59994 0.278 15.36607 H ? A ? 5 HG2 1
   ATOM 73 HG3 A GLU A 5 ? 6.72772 -9.89756 7.29961 0.278 15.36607 H ? A ? 5 HG3 1
   ATOM 74 N B GLU A 5 ? 5.00687 -8.39466 5.94934 0.722 11.05844 N ? A ? 5 N 1
   ATOM 75 CA B GLU A 5 ? 4.42633 -9.73274 5.93698 0.722 12.36865 C ? A ? 5 CA 1
   ATOM 76 C B GLU A 5 ? 2.92620 -9.57923 5.77964 0.722 11.65812 C ? A ? 5 C 1
   ATOM 77 O B GLU A 5 ? 2.28219 -8.95399 6.61838 0.722 10.26909 O ? A ? 5 O 1
   ATOM 78 CB B GLU A 5 ? 4.75456 -10.48268 7.22426 0.722 12.42800 C ? A ? 5 CB 1
   ATOM 79 CG B GLU A 5 ? 6.21758 -10.80160 7.41561 0.722 12.56951 C ? A ? 5 CG 1
   ATOM 80 CD B GLU A 5 ? 6.46637 -11.39423 8.77755 0.722 17.77377 C ? A ? 5 CD 1
   ATOM 81 OE1 B GLU A 5 ? 6.34567 -10.63845 9.76651 0.722 12.96470 O ? A ? 5 OE1 1
   ATOM 82 OE2 B GLU A 5 ? 6.72727 -12.61663 8.85556 0.722 22.02173 O ? A ? 5 OE2 1
   ATOM 83 H B GLU A 5 ? 4.70146 -7.89001 6.57516 0.722 13.30700 H ? A ? 5 H 1
   ATOM 84 HA B GLU A 5 ? 4.77664 -10.24487 5.19139 0.722 14.87926 H ? A ? 5 HA 1
   ATOM 85 HB2 B GLU A 5 ? 4.47352 -9.93944 7.97713 0.722 14.95048 H ? A ? 5 HB2 1
   ATOM 86 HB3 B GLU A 5 ? 4.27053 -11.32328 7.22268 0.722 14.95048 H ? A ? 5 HB3 1
   ATOM 87 HG2 B GLU A 5 ? 6.49856 -11.44359 6.74494 0.722 15.12030 H ? A ? 5 HG2 1
   ATOM 88 HG3 B GLU A 5 ? 6.73883 -9.98758 7.33462 0.722 15.12030 H ? A ? 5 HG3 1
   ATOM 89 N . THR A 6 ? 2.36644 -10.15411 4.72046 1.000 13.28042 N ? A ? 6 N 1
   ATOM 90 CA . THR A 6 ? 0.94395 -9.97468 4.46030 1.000 9.60553 C ? A ? 6 CA 1
   ATOM 91 C . THR A 6 ? 0.08246 -10.71412 5.48887 1.000 11.35601 C ? A ? 6 C 1
   ATOM 92 O . THR A 6 ? 0.34810 -11.86289 5.84685 1.000 13.89531 O ? A ? 6 O 1
   ATOM 93 CB . THR A 6 ? 0.64346 -10.43283 3.03440 1.000 11.93393 C ? A ? 6 CB 1
   ATOM 94 OG1 . THR A 6 ? 1.31801 -9.55169 2.12791 1.000 12.96961 O ? A ? 6 OG1 1
   ATOM 95 CG2 . THR A 6 ? -0.84408 -10.40576 2.73503 1.000 16.74058 C ? A ? 6 CG2 1
   ATOM 96 HA . THR A 6 ? 0.70777 -9.03754 4.54321 1.000 11.56352 H ? A ? 6 HA 1
   ATOM 97 HB . THR A 6 ? 0.94464 -11.34771 2.91961 1.000 14.35760 H ? A ? 6 HB 1
   ATOM 98 HG1 . THR A 6 ? 0.75726 -9.09715 1.69832 1.000 15.60042 H ? A ? 6 HG1 1
   ATOM 99 HG21 . THR A 6 ? -0.99054 -10.44851 1.77710 1.000 20.12558 H ? A ? 6 HG21 1
   ATOM 100 HG22 . THR A 6 ? -1.28074 -11.16364 3.15438 1.000 20.12558 H ? A ? 6 HG22 1
   ATOM 101 HG23 . THR A 6 ? -1.23653 -9.58737 3.07727 1.000 20.12558 H ? A ? 6 HG23 1
   ATOM 102 H A THR A 6 ? 2.78417 -10.62552 4.13491 0.278 15.97338 H ? A ? 6 H 1
   ATOM 103 H B THR A 6 ? 2.78084 -10.64387 4.14774 0.722 15.97338 H ? A ? 6 H 1
   ATOM 104 N . ILE A 7 ? -0.92214 -10.00390 6.00958 1.000 10.95818 N ? A ? 7 N 1
   ATOM 105 CA . ILE A 7 ? -1.99217 -10.60749 6.80468 1.000 9.05310 C ? A ? 7 CA 1
   ATOM 106 C . ILE A 7 ? -3.17317 -10.99972 5.92518 1.000 8.46806 C ? A ? 7 C 1
   ATOM 107 O . ILE A 7 ? -3.70261 -12.11084 6.04793 1.000 12.92650 O ? A ? 7 O 1
   ATOM 108 CB . ILE A 7 ? -2.41242 -9.63764 7.93012 1.000 12.02432 C ? A ? 7 CB 1
   ATOM 109 CG1 . ILE A 7 ? -1.24840 -9.42124 8.89230 1.000 10.24950 C ? A ? 7 CG1 1
   ATOM 110 CG2 . ILE A 7 ? -3.62879 -10.16763 8.68425 1.000 13.60130 C ? A ? 7 CG2 1
   ATOM 111 CD1 . ILE A 7 ? -1.43594 -8.19204 9.77710 1.000 11.56854 C ? A ? 7 CD1 1
   ATOM 112 H . ILE A 7 ? -1.00753 -9.15349 5.91414 1.000 13.18669 H ? A ? 7 H 1
   ATOM 113 HA . ILE A 7 ? -1.65735 -11.41712 7.22096 1.000 10.90060 H ? A ? 7 HA 1
   ATOM 114 HB . ILE A 7 ? -2.65325 -8.79001 7.52462 1.000 14.46606 H ? A ? 7 HB 1
   ATOM 115 HG12 . ILE A 7 ? -1.16681 -10.19693 9.46896 1.000 12.33628 H ? A ? 7 HG12 1
   ATOM 116 HG13 . ILE A 7 ? -0.43335 -9.30133 8.38022 1.000 12.33628 H ? A ? 7 HG13 1
   ATOM 117 HG21 . ILE A 7 ? -3.73986 -9.65821 9.50221 1.000 16.35844 H ? A ? 7 HG21 1
   ATOM 118 HG22 . ILE A 7 ? -4.41480 -10.06980 8.12432 1.000 16.35844 H ? A ? 7 HG22 1
   ATOM 119 HG23 . ILE A 7 ? -3.48680 -11.10390 8.89437 1.000 16.35844 H ? A ? 7 HG23 1
   ATOM 120 HD11 . ILE A 7 ? -0.63216 -8.05565 10.30269 1.000 13.91913 H ? A ? 7 HD11 1
   ATOM 121 HD12 . ILE A 7 ? -1.59790 -7.41917 9.21377 1.000 13.91913 H ? A ? 7 HD12 1
   ATOM 122 HD13 . ILE A 7 ? -2.19418 -8.33820 10.36413 1.000 13.91913 H ? A ? 7 HD13 1
   ATOM 123 N . SER A 8 ? -3.61490 -10.12075 5.02413 1.000 9.95329 N ? A ? 8 N 1
   ATOM 124 CA . SER A 8 ? -4.58650 -10.44890 3.98382 1.000 11.10684 C ? A ? 8 CA 1
   ATOM 125 C . SER A 8 ? -4.11191 -9.77249 2.70300 1.000 14.96195 C ? A ? 8 C 1
   ATOM 126 O . SER A 8 ? -3.69590 -8.60217 2.74261 1.000 11.55189 O ? A ? 8 O 1
   ATOM 127 CB . SER A 8 ? -6.01120 -9.97304 4.29924 1.000 13.12378 C ? A ? 8 CB 1
   ATOM 128 OG . SER A 8 ? -6.55109 -10.63080 5.43150 1.000 12.37561 O ? A ? 8 OG 1
   ATOM 129 H . SER A 8 ? -3.35678 -9.30090 4.99545 1.000 11.98083 H ? A ? 8 H 1
   ATOM 130 HA . SER A 8 ? -4.62656 -11.41230 3.87823 1.000 13.36509 H ? A ? 8 HA 1
   ATOM 131 HB2 . SER A 8 ? -5.98912 -9.01926 4.47451 1.000 15.78542 H ? A ? 8 HB2 1
   ATOM 132 HB3 . SER A 8 ? -6.57738 -10.15658 3.53331 1.000 15.78542 H ? A ? 8 HB3 1
   ATOM 133 HG . SER A 8 ? -6.11257 -10.42705 6.11836 1.000 14.88761 H ? A ? 8 HG 1
   ATOM 134 N . PRO A 9 ? -4.21045 -10.43405 1.55136 1.000 13.49535 N ? A ? 9 N 1
   ATOM 135 CA . PRO A 9 ? -3.76887 -9.78363 0.31032 1.000 13.13352 C ? A ? 9 CA 1
   ATOM 136 C . PRO A 9 ? -4.70691 -8.66910 -0.14870 1.000 13.20368 C ? A ? 9 C 1
   ATOM 137 O . PRO A 9 ? -5.91823 -8.68716 0.09362 1.000 16.73555 O ? A ? 9 O 1
   ATOM 138 CB . PRO A 9 ? -3.72629 -10.94046 -0.70348 1.000 15.15705 C ? A ? 9 CB 1
   ATOM 139 CG . PRO A 9 ? -4.76627 -11.93113 -0.17986 1.000 13.53961 C ? A ? 9 CG 1
   ATOM 140 CD . PRO A 9 ? -4.66884 -11.82512 1.33137 1.000 14.91201 C ? A ? 9 CD 1
   ATOM 141 HA . PRO A 9 ? -2.88100 -9.41130 0.42846 1.000 15.79711 H ? A ? 9 HA 1
   ATOM 142 HB2 . PRO A 9 ? -3.96253 -10.61868 -1.58753 1.000 18.22534 H ? A ? 9 HB2 1
   ATOM 143 HB3 . PRO A 9 ? -2.84136 -11.33734 -0.72040 1.000 18.22534 H ? A ? 9 HB3 1
   ATOM 144 HG2 . PRO A 9 ? -5.65027 -11.67986 -0.49020 1.000 16.28441 H ? A ? 9 HG2 1
   ATOM 145 HG3 . PRO A 9 ? -4.55164 -12.82804 -0.48049 1.000 16.28441 H ? A ? 9 HG3 1
   ATOM 146 HD2 . PRO A 9 ? -5.53459 -11.97178 1.74351 1.000 17.93129 H ? A ? 9 HD2 1
   ATOM 147 HD3 . PRO A 9 ? -4.02352 -12.45972 1.68031 1.000 17.93129 H ? A ? 9 HD3 1
   ATOM 148 N . GLY A 10 ? -4.12210 -7.67146 -0.81629 1.000 12.43077 N ? A ? 10 N 1
   ATOM 149 CA . GLY A 10 ? -4.86739 -6.65525 -1.52818 1.000 11.79929 C ? A ? 10 CA 1
   ATOM 150 C . GLY A 10 ? -5.20819 -7.13380 -2.93105 1.000 12.39733 C ? A ? 10 C 1
   ATOM 151 O . GLY A 10 ? -5.16369 -8.32936 -3.22393 1.000 15.64811 O ? A ? 10 O 1
   ATOM 152 H . GLY A 10 ? -3.27004 -7.56677 -0.86757 1.000 14.95381 H ? A ? 10 H 1
   ATOM 153 HA2 . GLY A 10 ? -5.69076 -6.45888 -1.05446 1.000 14.19602 H ? A ? 10 HA2 1
   ATOM 154 HA3 . GLY A 10 ? -4.33896 -5.84437 -1.59247 1.000 14.19602 H ? A ? 10 HA3 1
   ATOM 155 N . ASP A 11 ? -5.57341 -6.17873 -3.79675 1.000 14.78332 N ? A ? 11 N 1
   ATOM 156 CA . ASP A 11 ? -5.96903 -6.53929 -5.15835 1.000 13.39026 C ? A ? 11 CA 1
   ATOM 157 C . ASP A 11 ? -4.77269 -6.80438 -6.05371 1.000 17.75899 C ? A ? 11 C 1
   ATOM 158 O . ASP A 11 ? -4.96377 -7.19439 -7.21072 1.000 19.84382 O ? A ? 11 O 1
   ATOM 159 CB . ASP A 11 ? -6.89156 -5.46810 -5.76602 1.000 15.41565 C ? A ? 11 CB 1
   ATOM 160 CG . ASP A 11 ? -6.19142 -4.17240 -6.11727 1.000 18.53340 C ? A ? 11 CG 1
   ATOM 161 OD1 . ASP A 11 ? -4.99274 -3.98534 -5.83332 1.000 15.95298 O ? A ? 11 OD1 1
   ATOM 162 OD2 . ASP A 11 ? -6.86417 -3.30233 -6.69805 1.000 15.48462 O ? A ? 11 OD2 1
   ATOM 163 H . ASP A 11 ? -5.59854 -5.33732 -3.62067 1.000 17.77687 H ? A ? 11 H 1
   ATOM 164 HA . ASP A 11 ? -6.49527 -7.35354 -5.12734 1.000 16.10520 H ? A ? 11 HA 1
   ATOM 165 HB2 . ASP A 11 ? -7.28252 -5.82090 -6.58062 1.000 18.53566 H ? A ? 11 HB2 1
   ATOM 166 HB3 . ASP A 11 ? -7.58999 -5.26036 -5.12575 1.000 18.53566 H ? A ? 11 HB3 1
   ATOM 167 N . GLY A 12 ? -3.55666 -6.65281 -5.52528 1.000 16.20960 N ? A ? 12 N 1
   ATOM 168 CA . GLY A 12 ? -2.33973 -6.96104 -6.25197 1.000 14.87347 C ? A ? 12 CA 1
   ATOM 169 C . GLY A 12 ? -2.05440 -6.11057 -7.46933 1.000 18.71957 C ? A ? 12 C 1
   ATOM 170 O . GLY A 12 ? -1.13451 -6.41056 -8.23817 1.000 16.48693 O ? A ? 12 O 1
   ATOM 171 H . GLY A 12 ? -3.41284 -6.36556 -4.72753 1.000 19.48840 H ? A ? 12 H 1
   ATOM 172 HA2 . GLY A 12 ? -1.58847 -6.86080 -5.64661 1.000 17.88504 H ? A ? 12 HA2 1
   ATOM 173 HA3 . GLY A 12 ? -2.38581 -7.88360 -6.54804 1.000 17.88504 H ? A ? 12 HA3 1
   ATOM 174 N . ARG A 13 ? -2.82652 -5.04343 -7.63572 1.000 14.35792 N ? A ? 13 N 1
   ATOM 175 CA . ARG A 13 ? -2.77754 -4.22074 -8.84466 1.000 20.99783 C ? A ? 13 CA 1
   ATOM 176 C . ARG A 13 ? -2.74417 -2.73508 -8.57370 1.000 21.28953 C ? A ? 13 C 1
   ATOM 177 O . ARG A 13 ? -2.15245 -1.99697 -9.39696 1.000 16.52161 O ? A ? 13 O 1
   ATOM 178 CB . ARG A 13 ? -3.98239 -4.52503 -9.75075 1.000 22.02089 C ? A ? 13 CB 1
   ATOM 179 CG . ARG A 13 ? -4.09296 -5.99002 -10.23983 1.000 26.91722 C ? A ? 13 CG 1
   ATOM 180 CD . ARG A 13 ? -2.81852 -6.41378 -10.96084 1.000 43.82755 C ? A ? 13 CD 1
   ATOM 181 NE . ARG A 13 ? -2.94012 -7.70538 -11.62706 1.000 58.93044 N ? A ? 13 NE 1
   ATOM 182 CZ . ARG A 13 ? -1.91002 -8.47322 -11.96404 1.000 68.28106 C ? A ? 13 CZ 1
   ATOM 183 NH1 . ARG A 13 ? -0.66537 -8.13236 -11.66589 1.000 51.06418 N ? A ? 13 NH1 1
   ATOM 184 NH2 . ARG A 13 ? -2.13469 -9.61426 -12.61164 1.000 58.44696 N ? A ? 13 NH2 1
   ATOM 185 H . ARG A 13 ? -3.39785 -4.76758 -7.05514 1.000 17.26639 H ? A ? 13 H 1
   ATOM 186 HA . ARG A 13 ? -1.97316 -4.44755 -9.33703 1.000 25.23428 H ? A ? 13 HA 1
   ATOM 187 HB2 . ARG A 13 ? -4.79338 -4.32265 -9.25857 1.000 26.46195 H ? A ? 13 HB2 1
   ATOM 188 HB3 . ARG A 13 ? -3.92258 -3.96129 -10.53785 1.000 26.46195 H ? A ? 13 HB3 1
   ATOM 189 HG2 . ARG A 13 ? -4.22663 -6.57689 -9.47915 1.000 32.33755 H ? A ? 13 HG2 1
   ATOM 190 HG3 . ARG A 13 ? -4.83752 -6.07105 -10.85623 1.000 32.33755 H ? A ? 13 HG3 1
   ATOM 191 HD2 . ARG A 13 ? -2.60217 -5.75004 -11.63429 1.000 52.62994 H ? A ? 13 HD2 1
   ATOM 192 HD3 . ARG A 13 ? -2.09779 -6.47811 -10.31485 1.000 52.62994 H ? A ? 13 HD3 1
   ATOM 193 HE . ARG A 13 ? -3.73043 -7.98837 -11.81397 1.000 70.75341 H ? A ? 13 HE 1
   ATOM 194 HH11 . ARG A 13 ? -0.50955 -7.39901 -11.24457 1.000 61.31389 H ? A ? 13 HH11 1
   ATOM 195 HH12 . ARG A 13 ? -0.01302 -8.64440 -11.89362 1.000 61.31389 H ? A ? 13 HH12 1
   ATOM 196 HH21 . ARG A 13 ? -2.93935 -9.84658 -12.80698 1.000 70.17324 H ? A ? 13 HH21 1
   ATOM 197 HH22 . ARG A 13 ? -1.47520 -10.11914 -12.83470 1.000 70.17324 H ? A ? 13 HH22 1
   ATOM 198 N . THR A 14 ? -3.34450 -2.22692 -7.50567 1.000 14.69082 N ? A ? 14 N 1
   ATOM 199 CA . THR A 14 ? -3.58028 -0.80113 -7.29153 1.000 13.62037 C ? A ? 14 CA 1
   ATOM 200 C . THR A 14 ? -2.68823 -0.38389 -6.13031 1.000 14.65808 C ? A ? 14 C 1
   ATOM 201 O . THR A 14 ? -3.05290 -0.57026 -4.96981 1.000 15.15364 O ? A ? 14 O 1
   ATOM 202 CB . THR A 14 ? -5.04092 -0.50754 -6.94528 1.000 15.05227 C ? A ? 14 CB 1
   ATOM 203 OG1 . THR A 14 ? -5.93418 -1.07719 -7.90527 1.000 19.14503 O ? A ? 14 OG1 1
   ATOM 204 CG2 . THR A 14 ? -5.30536 0.98745 -6.87755 1.000 18.78268 C ? A ? 14 CG2 1
   ATOM 205 H . THR A 14 ? -3.63936 -2.71029 -6.85836 1.000 17.66587 H ? A ? 14 H 1
   ATOM 206 HA . THR A 14 ? -3.35137 -0.31897 -8.10148 1.000 16.38132 H ? A ? 14 HA 1
   ATOM 207 HB . THR A 14 ? -5.21381 -0.90235 -6.07630 1.000 18.09960 H ? A ? 14 HB 1
   ATOM 208 HG1 . THR A 14 ? -5.76412 -1.89348 -8.00700 1.000 23.01092 H ? A ? 14 HG1 1
   ATOM 209 HG21 . THR A 14 ? -6.26068 1.15523 -6.86672 1.000 22.57609 H ? A ? 14 HG21 1
   ATOM 210 HG22 . THR A 14 ? -4.91154 1.35787 -6.07220 1.000 22.57609 H ? A ? 14 HG22 1
   ATOM 211 HG23 . THR A 14 ? -4.91704 1.42835 -7.64938 1.000 22.57609 H ? A ? 14 HG23 1
   ATOM 212 N . PHE A 15 ? -1.56083 0.16631 -6.43685 1.000 10.14167 N ? A ? 15 N 1
   ATOM 213 CA . PHE A 15 ? -0.54804 0.61097 -5.50121 1.000 11.68521 C ? A ? 15 CA 1
   ATOM 214 C . PHE A 15 ? -0.52567 2.12991 -5.45751 1.000 12.88833 C ? A ? 15 C 1
   ATOM 215 O . PHE A 15 ? -0.84820 2.78672 -6.45411 1.000 16.18092 O ? A ? 15 O 1
   ATOM 216 CB . PHE A 15 ? 0.84683 0.10177 -5.91272 1.000 9.16903 C ? A ? 15 CB 1
   ATOM 217 CG . PHE A 15 ? 0.97970 -1.39914 -5.85582 1.000 9.27325 C ? A ? 15 CG 1
   ATOM 218 CD1 . PHE A 15 ? 0.61573 -2.16467 -6.93980 1.000 10.21058 C ? A ? 15 CD1 1
   ATOM 219 CD2 . PHE A 15 ? 1.47185 -2.03848 -4.73627 1.000 11.45978 C ? A ? 15 CD2 1
   ATOM 220 CE1 . PHE A 15 ? 0.72002 -3.50979 -6.91877 1.000 9.51228 C ? A ? 15 CE1 1
   ATOM 221 CE2 . PHE A 15 ? 1.56839 -3.42465 -4.70020 1.000 11.20899 C ? A ? 15 CE2 1
   ATOM 222 CZ . PHE A 15 ? 1.17026 -4.15427 -5.79776 1.000 7.23089 C ? A ? 15 CZ 1
   ATOM 223 H . PHE A 15 ? -1.32308 0.31302 -7.25021 1.000 12.20688 H ? A ? 15 H 1
   ATOM 224 HA . PHE A 15 ? -0.74139 0.26853 -4.61450 1.000 14.05913 H ? A ? 15 HA 1
   ATOM 225 HB2 . PHE A 15 ? 1.02578 0.38161 -6.82408 1.000 11.03971 H ? A ? 15 HB2 1
   ATOM 226 HB3 . PHE A 15 ? 1.50802 0.48158 -5.31317 1.000 11.03971 H ? A ? 15 HB3 1
   ATOM 227 HD1 . PHE A 15 ? 0.29067 -1.74568 -7.70379 1.000 12.28958 H ? A ? 15 HD1 1
   ATOM 228 HD2 . PHE A 15 ? 1.74104 -1.53797 -4.00012 1.000 13.78862 H ? A ? 15 HD2 1
   ATOM 229 HE1 . PHE A 15 ? 0.48433 -4.00282 -7.67129 1.000 11.45162 H ? A ? 15 HE1 1
   ATOM 230 HE2 . PHE A 15 ? 1.89791 -3.85399 -3.94390 1.000 13.48766 H ? A ? 15 HE2 1
   ATOM 231 HZ . PHE A 15 ? 1.20707 -5.08332 -5.77777 1.000 8.71394 H ? A ? 15 HZ 1
   ATOM 232 N . PRO A 16 ? -0.12951 2.73078 -4.33990 1.000 12.08303 N ? A ? 16 N 1
   ATOM 233 CA . PRO A 16 ? -0.13782 4.19609 -4.25923 1.000 14.27997 C ? A ? 16 CA 1
   ATOM 234 C . PRO A 16 ? 0.89699 4.84557 -5.16561 1.000 18.42859 C ? A ? 16 C 1
   ATOM 235 O . PRO A 16 ? 1.99046 4.32077 -5.37763 1.000 15.64311 O ? A ? 16 O 1
   ATOM 236 CB . PRO A 16 ? 0.17410 4.47590 -2.78713 1.000 13.92496 C ? A ? 16 CB 1
   ATOM 237 CG . PRO A 16 ? 0.73578 3.22682 -2.26254 1.000 15.92933 C ? A ? 16 CG 1
   ATOM 238 CD . PRO A 16 ? 0.18981 2.09855 -3.04682 1.000 11.41640 C ? A ? 16 CD 1
   ATOM 239 HA . PRO A 16 ? -1.01804 4.53291 -4.48870 1.000 17.17285 H ? A ? 16 HA 1
   ATOM 240 HB2 . PRO A 16 ? 0.81702 5.19907 -2.71946 1.000 16.74683 H ? A ? 16 HB2 1
   ATOM 241 HB3 . PRO A 16 ? -0.64135 4.71195 -2.31786 1.000 16.74683 H ? A ? 16 HB3 1
   ATOM 242 HG2 . PRO A 16 ? 1.70170 3.25489 -2.34678 1.000 19.15208 H ? A ? 16 HG2 1
   ATOM 243 HG3 . PRO A 16 ? 0.48664 3.13574 -1.32952 1.000 19.15208 H ? A ? 16 HG3 1
   ATOM 244 HD2 . PRO A 16 ? 0.85195 1.39818 -3.15609 1.000 13.73656 H ? A ? 16 HD2 1
   ATOM 245 HD3 . PRO A 16 ? -0.60817 1.73845 -2.62915 1.000 13.73656 H ? A ? 16 HD3 1
   ATOM 246 N . LYS A 17 ? 0.54054 6.01978 -5.68392 1.000 17.78622 N ? A ? 17 N 1
   ATOM 247 CA . LYS A 17 ? 1.49363 6.89112 -6.35069 1.000 20.98755 C ? A ? 17 CA 1
   ATOM 248 C . LYS A 17 ? 2.11242 7.87164 -5.35474 1.000 23.12097 C ? A ? 17 C 1
   ATOM 249 O . LYS A 17 ? 1.50213 8.23264 -4.34473 1.000 21.95554 O ? A ? 17 O 1
   ATOM 250 CB . LYS A 17 ? 0.80740 7.66574 -7.47746 1.000 28.58195 C ? A ? 17 CB 1
   ATOM 251 CG . LYS A 17 ? 1.74835 8.50430 -8.34029 1.000 58.53438 C ? A ? 17 CG 1
   ATOM 252 CD . LYS A 17 ? 2.23026 7.73839 -9.57922 1.000 72.65727 C ? A ? 17 CD 1
   ATOM 253 CE . LYS A 17 ? 3.73975 7.88370 -9.78904 1.000 59.01116 C ? A ? 17 CE 1
   ATOM 254 NZ . LYS A 17 ? 4.51492 6.94001 -8.93261 1.000 39.91932 N ? A ? 17 NZ 1
   ATOM 255 H . LYS A 17 ? -0.25938 6.33464 -5.65968 1.000 21.38035 H ? A ? 17 H 1
   ATOM 256 HA . LYS A 17 ? 2.20709 6.35687 -6.73338 1.000 25.22194 H ? A ? 17 HA 1
   ATOM 257 HB2 . LYS A 17 ? 0.36306 7.03133 -8.06140 1.000 34.33522 H ? A ? 17 HB2 1
   ATOM 258 HB3 . LYS A 17 ? 0.15610 8.26806 -7.08514 1.000 34.33522 H ? A ? 17 HB3 1
   ATOM 259 HG2 . LYS A 17 ? 1.28242 9.30078 -8.63934 1.000 70.27813 H ? A ? 17 HG2 1
   ATOM 260 HG3 . LYS A 17 ? 2.52616 8.75202 -7.81632 1.000 70.27813 H ? A ? 17 HG3 1
   ATOM 261 HD2 . LYS A 17 ? 2.02860 6.79579 -9.47092 1.000 87.22561 H ? A ? 17 HD2 1
   ATOM 262 HD3 . LYS A 17 ? 1.78012 8.08581 -10.36507 1.000 87.22561 H ? A ? 17 HD3 1
   ATOM 263 HE2 . LYS A 17 ? 3.95284 7.69617 -10.71658 1.000 70.85027 H ? A ? 17 HE2 1
   ATOM 264 HE3 . LYS A 17 ? 4.00803 8.78812 -9.56331 1.000 70.85027 H ? A ? 17 HE3 1
   ATOM 265 HZ1 . LYS A 17 ? 5.38754 7.05983 -9.06024 1.000 47.94006 H ? A ? 17 HZ1 1
   ATOM 266 HZ2 . LYS A 17 ? 4.32625 7.08256 -8.07460 1.000 47.94006 H ? A ? 17 HZ2 1
   ATOM 267 HZ3 . LYS A 17 ? 4.30555 6.09988 -9.13867 1.000 47.94006 H ? A ? 17 HZ3 1
   ATOM 268 N . ARG A 18 ? 3.32457 8.33075 -5.66327 1.000 24.06556 N ? A ? 18 N 1
   ATOM 269 CA . ARG A 18 ? 3.89856 9.44096 -4.91423 1.000 28.18906 C ? A ? 18 CA 1
   ATOM 270 C . ARG A 18 ? 2.98155 10.65656 -5.01077 1.000 26.17932 C ? A ? 18 C 1
   ATOM 271 O . ARG A 18 ? 2.46089 10.97747 -6.08055 1.000 20.98017 O ? A ? 18 O 1
   ATOM 272 CB . ARG A 18 ? 5.29657 9.76958 -5.44492 1.000 40.27313 C ? A ? 18 CB 1
   ATOM 273 CG . ARG A 18 ? 6.35716 8.73020 -5.05185 1.000 44.77059 C ? A ? 18 CG 1
   ATOM 274 CD . ARG A 18 ? 7.54022 8.73145 -6.02396 1.000 48.95439 C ? A ? 18 CD 1
   ATOM 275 NE . ARG A 18 ? 7.10921 8.83104 -7.41596 1.000 59.72163 N ? A ? 18 NE 1
   ATOM 276 CZ . ARG A 18 ? 7.92484 8.96625 -8.45348 1.000 57.94834 C ? A ? 18 CZ 1
   ATOM 277 NH1 . ARG A 18 ? 9.23929 8.95912 -8.30419 1.000 53.65761 N ? A ? 18 NH1 1
   ATOM 278 NH2 . ARG A 18 ? 7.40898 9.12071 -9.66988 1.000 44.79927 N ? A ? 18 NH2 1
   ATOM 279 H . ARG A 18 ? 3.82466 8.02126 -6.29075 1.000 28.91555 H ? A ? 18 H 1
   ATOM 280 HA . ARG A 18 ? 3.99072 9.20097 -3.97892 1.000 33.86376 H ? A ? 18 HA 1
   ATOM 281 HB2 . ARG A 18 ? 5.26277 9.80895 -6.41353 1.000 48.36463 H ? A ? 18 HB2 1
   ATOM 282 HB3 . ARG A 18 ? 5.57368 10.62769 -5.08748 1.000 48.36463 H ? A ? 18 HB3 1
   ATOM 283 HG2 . ARG A 18 ? 6.69254 8.93437 -4.16487 1.000 53.76159 H ? A ? 18 HG2 1
   ATOM 284 HG3 . ARG A 18 ? 5.95797 7.84619 -5.06024 1.000 53.76159 H ? A ? 18 HG3 1
   ATOM 285 HD2 . ARG A 18 ? 8.11166 9.49071 -5.82937 1.000 58.78215 H ? A ? 18 HD2 1
   ATOM 286 HD3 . ARG A 18 ? 8.03871 7.90583 -5.92017 1.000 58.78215 H ? A ? 18 HD3 1
   ATOM 287 HE . ARG A 18 ? 6.26456 8.79973 -7.57467 1.000 71.70283 H ? A ? 18 HE 1
   ATOM 288 HH11 . ARG A 18 ? 9.58263 8.86534 -7.52129 1.000 64.42602 H ? A ? 18 HH11 1
   ATOM 289 HH12 . ARG A 18 ? 9.75045 9.04825 -8.99003 1.000 64.42602 H ? A ? 18 HH12 1
   ATOM 290 HH21 . ARG A 18 ? 6.55573 9.13206 -9.77683 1.000 53.79600 H ? A ? 18 HH21 1
   ATOM 291 HH22 . ARG A 18 ? 7.92873 9.20921 -10.34931 1.000 53.79600 H ? A ? 18 HH22 1
   ATOM 292 N . GLY A 19 ? 2.76658 11.32075 -3.87687 1.000 26.49263 N ? A ? 19 N 1
   ATOM 293 CA . GLY A 19 ? 1.85396 12.44305 -3.79241 1.000 30.21459 C ? A ? 19 CA 1
   ATOM 294 C . GLY A 19 ? 0.40837 12.06872 -3.56984 1.000 23.19801 C ? A ? 19 C 1
   ATOM 295 O . GLY A 19 ? -0.43664 12.96179 -3.43669 1.000 29.15281 O ? A ? 19 O 1
   ATOM 296 H . GLY A 19 ? 3.14849 11.13190 -3.12982 1.000 31.82804 H ? A ? 19 H 1
   ATOM 297 HA2 . GLY A 19 ? 2.12898 13.01251 -3.05689 1.000 36.29439 H ? A ? 19 HA2 1
   ATOM 298 HA3 . GLY A 19 ? 1.90515 12.94805 -4.61901 1.000 36.29439 H ? A ? 19 HA3 1
   ATOM 299 N A GLN A 20 ? 0.08994 10.78234 -3.55977 0.852 21.30064 N ? A ? 20 N 1
   ATOM 300 CA A GLN A 20 ? -1.26953 10.32859 -3.35518 0.852 22.48523 C ? A ? 20 CA 1
   ATOM 301 C A GLN A 20 ? -1.51958 10.13948 -1.86888 0.852 18.70933 C ? A ? 20 C 1
   ATOM 302 O A GLN A 20 ? -0.60568 9.81627 -1.10340 0.852 19.32154 O ? A ? 20 O 1
   ATOM 303 CB A GLN A 20 ? -1.50619 9.01924 -4.09409 0.852 21.49689 C ? A ? 20 CB 1
   ATOM 304 CG A GLN A 20 ? -2.95624 8.63535 -4.25426 0.852 22.80416 C ? A ? 20 CG 1
   ATOM 305 CD A GLN A 20 ? -3.11431 7.56894 -5.31785 0.852 27.25667 C ? A ? 20 CD 1
   ATOM 306 OE1 A GLN A 20 ? -2.13919 6.92340 -5.69960 0.852 21.73252 O ? A ? 20 OE1 1
   ATOM 307 NE2 A GLN A 20 ? -4.33403 7.38001 -5.80583 0.852 28.29637 N ? A ? 20 NE2 1
   ATOM 308 H A GLN A 20 ? 0.65584 10.14446 -3.67145 0.852 25.59765 H ? A ? 20 H 1
   ATOM 309 HA A GLN A 20 ? -1.89881 10.98272 -3.69726 0.852 27.01916 H ? A ? 20 HA 1
   ATOM 310 HB2 A GLN A 20 ? -1.12457 9.09417 -4.98271 0.852 25.83315 H ? A ? 20 HB2 1
   ATOM 311 HB3 A GLN A 20 ? -1.06817 8.30591 -3.60399 0.852 25.83315 H ? A ? 20 HB3 1
   ATOM 312 HG2 A GLN A 20 ? -3.29335 8.28585 -3.41455 0.852 27.40188 H ? A ? 20 HG2 1
   ATOM 313 HG3 A GLN A 20 ? -3.47000 9.41416 -4.51960 0.852 27.40188 H ? A ? 20 HG3 1
   ATOM 314 HE21 A GLN A 20 ? -4.99105 7.85346 -5.51643 0.852 33.99253 H ? A ? 20 HE21 1
   ATOM 315 HE22 A GLN A 20 ? -4.46734 6.78413 -6.41144 0.852 33.99253 H ? A ? 20 HE22 1
   ATOM 316 N B GLN A 20 ? 0.09440 10.77851 -3.51483 0.148 21.41003 N ? A ? 20 N 1
   ATOM 317 CA B GLN A 20 ? -1.26938 10.31262 -3.31922 0.148 22.39657 C ? A ? 20 CA 1
   ATOM 318 C B GLN A 20 ? -1.50966 10.06227 -1.83753 0.148 18.78719 C ? A ? 20 C 1
   ATOM 319 O B GLN A 20 ? -0.74004 9.34369 -1.19041 0.148 18.91374 O ? A ? 20 O 1
   ATOM 320 CB B GLN A 20 ? -1.49996 9.03379 -4.12315 0.148 21.58088 C ? A ? 20 CB 1
   ATOM 321 CG B GLN A 20 ? -2.92307 8.83050 -4.59710 0.148 23.37600 C ? A ? 20 CG 1
   ATOM 322 CD B GLN A 20 ? -3.06419 7.61628 -5.49996 0.148 26.65786 C ? A ? 20 CD 1
   ATOM 323 OE1 B GLN A 20 ? -2.43196 6.58352 -5.27580 0.148 22.41876 O ? A ? 20 OE1 1
   ATOM 324 NE2 B GLN A 20 ? -3.89222 7.73840 -6.53085 0.148 25.74262 N ? A ? 20 NE2 1
   ATOM 325 H B GLN A 20 ? 0.66741 10.14163 -3.59000 0.148 25.72891 H ? A ? 20 H 1
   ATOM 326 HA B GLN A 20 ? -1.90151 10.98399 -3.62018 0.148 26.91276 H ? A ? 20 HA 1
   ATOM 327 HB2 B GLN A 20 ? -0.93133 9.05722 -4.90865 0.148 25.93393 H ? A ? 20 HB2 1
   ATOM 328 HB3 B GLN A 20 ? -1.26630 8.27419 -3.56698 0.148 25.93393 H ? A ? 20 HB3 1
   ATOM 329 HG2 B GLN A 20 ? -3.49896 8.70234 -3.82715 0.148 28.08808 H ? A ? 20 HG2 1
   ATOM 330 HG3 B GLN A 20 ? -3.20615 9.61229 -5.09666 0.148 28.08808 H ? A ? 20 HG3 1
   ATOM 331 HE21 B GLN A 20 ? -4.31431 8.47678 -6.65823 0.148 30.92802 H ? A ? 20 HE21 1
   ATOM 332 HE22 B GLN A 20 ? -4.00641 7.07910 -7.07111 0.148 30.92802 H ? A ? 20 HE22 1
   ATOM 333 N A THR A 21 ? -2.76922 10.34012 -1.46635 0.852 16.26709 N ? A ? 21 N 1
   ATOM 334 CA A THR A 21 ? -3.15565 10.16363 -0.07389 0.852 16.68373 C ? A ? 21 CA 1
   ATOM 335 C A THR A 21 ? -3.52857 8.71117 0.17148 0.852 19.01650 C ? A ? 21 C 1
   ATOM 336 O A THR A 21 ? -4.35295 8.13984 -0.54582 0.852 19.85406 O ? A ? 21 O 1
   ATOM 337 CB A THR A 21 ? -4.30965 11.09111 0.30889 0.852 17.86531 C ? A ? 21 CB 1
   ATOM 338 OG1 A THR A 21 ? -3.80593 12.42884 0.36459 0.852 16.99894 O ? A ? 21 OG1 1
   ATOM 339 CG2 A THR A 21 ? -4.85271 10.71788 1.66998 0.852 20.51579 C ? A ? 21 CG2 1
   ATOM 340 H A THR A 21 ? -3.41317 10.57983 -1.98352 0.852 19.55738 H ? A ? 21 H 1
   ATOM 341 HA A THR A 21 ? -2.40371 10.38898 0.49594 0.852 20.05735 H ? A ? 21 HA 1
   ATOM 342 HB A THR A 21 ? -5.02857 11.02179 -0.33860 0.852 21.47525 H ? A ? 21 HB 1
   ATOM 343 HG1 A THR A 21 ? -4.42437 12.96057 0.56559 0.852 20.43561 H ? A ? 21 HG1 1
   ATOM 344 HG21 A THR A 21 ? -5.36015 11.45765 2.03897 0.852 24.65583 H ? A ? 21 HG21 1
   ATOM 345 HG22 A THR A 21 ? -5.43321 9.94440 1.59486 0.852 24.65583 H ? A ? 21 HG22 1
   ATOM 346 HG23 A THR A 21 ? -4.12221 10.50595 2.27193 0.852 24.65583 H ? A ? 21 HG23 1
   ATOM 347 N B THR A 21 ? -2.56936 10.65581 -1.29542 0.148 17.57650 N ? A ? 21 N 1
   ATOM 348 CA B THR A 21 ? -2.88574 10.45628 0.11440 0.148 17.53383 C ? A ? 21 CA 1
   ATOM 349 C B THR A 21 ? -3.49060 9.06854 0.30381 0.148 18.22851 C ? A ? 21 C 1
   ATOM 350 O B THR A 21 ? -4.53645 8.75762 -0.27252 0.148 19.19953 O ? A ? 21 O 1
   ATOM 351 CB B THR A 21 ? -3.83715 11.52578 0.66131 0.148 18.17573 C ? A ? 21 CB 1
   ATOM 352 OG1 B THR A 21 ? -4.83521 10.89474 1.47016 0.148 19.96018 O ? A ? 21 OG1 1
   ATOM 353 CG2 B THR A 21 ? -4.52241 12.32242 -0.42526 0.148 19.76646 C ? A ? 21 CG2 1
   ATOM 354 H B THR A 21 ? -3.11283 11.17158 -1.71758 0.148 21.12868 H ? A ? 21 H 1
   ATOM 355 HA B THR A 21 ? -2.05947 10.52682 0.61759 0.148 21.07748 H ? A ? 21 HA 1
   ATOM 356 HB B THR A 21 ? -3.31223 12.15442 1.18108 0.148 21.84776 H ? A ? 21 HB 1
   ATOM 357 HG1 B THR A 21 ? -5.44747 11.44120 1.64940 0.148 23.98910 H ? A ? 21 HG1 1
   ATOM 358 HG21 B THR A 21 ? -5.32177 12.74437 -0.07330 0.148 23.75663 H ? A ? 21 HG21 1
   ATOM 359 HG22 B THR A 21 ? -3.92500 13.00952 -0.75978 0.148 23.75663 H ? A ? 21 HG22 1
   ATOM 360 HG23 B THR A 21 ? -4.77165 11.73790 -1.15815 0.148 23.75663 H ? A ? 21 HG23 1
   ATOM 361 N A CYS A 22 ? -2.90013 8.11690 1.17438 0.852 15.35893 N ? A ? 22 N 1
   ATOM 362 CA A CYS A 22 ? -3.16711 6.75131 1.59066 0.852 13.64311 C ? A ? 22 CA 1
   ATOM 363 C A CYS A 22 ? -4.06254 6.79337 2.82494 0.852 15.76733 C ? A ? 22 C 1
   ATOM 364 O A CYS A 22 ? -3.74906 7.48818 3.79295 0.852 14.49525 O ? A ? 22 O 1
   ATOM 365 CB A CYS A 22 ? -1.86193 6.02016 1.90188 0.852 13.37019 C ? A ? 22 CB 1
   ATOM 366 SG A CYS A 22 ? -0.73430 5.91283 0.47755 0.852 13.47107 S ? A ? 22 SG 1
   ATOM 367 H A CYS A 22 ? -2.29171 8.49963 1.64656 0.852 18.46759 H ? A ? 22 H 1
   ATOM 368 HA A CYS A 22 ? -3.62212 6.26308 0.88674 0.852 16.40862 H ? A ? 22 HA 1
   ATOM 369 HB2 A CYS A 22 ? -1.40016 6.49287 2.61196 0.852 16.08110 H ? A ? 22 HB2 1
   ATOM 370 HB3 A CYS A 22 ? -2.06972 5.11616 2.18562 0.852 16.08110 H ? A ? 22 HB3 1
   ATOM 371 HG A CYS A 22 ? 0.27381 5.35822 0.81830 0.852 16.20217 H ? A ? 22 HG 1
   ATOM 372 N B CYS A 22 ? -2.83475 8.24031 1.11022 0.148 15.57295 N ? A ? 22 N 1
   ATOM 373 CA B CYS A 22 ? -3.33438 6.91545 1.44665 0.148 14.33997 C ? A ? 22 CA 1
   ATOM 374 C B CYS A 22 ? -4.22280 6.99102 2.68418 0.148 15.42943 C ? A ? 22 C 1
   ATOM 375 O B CYS A 22 ? -4.07207 7.88522 3.51983 0.148 14.97185 O ? A ? 22 O 1
   ATOM 376 CB B CYS A 22 ? -2.17070 5.95399 1.69537 0.148 13.56194 C ? A ? 22 CB 1
   ATOM 377 SG B CYS A 22 ? -0.99858 5.82066 0.31111 0.148 14.36140 S ? A ? 22 SG 1
   ATOM 378 H B CYS A 22 ? -2.08241 8.42803 1.48216 0.148 18.72442 H ? A ? 22 H 1
   ATOM 379 HA B CYS A 22 ? -3.86232 6.56559 0.71195 0.148 17.24484 H ? A ? 22 HA 1
   ATOM 380 HB2 B CYS A 22 ? -1.67563 6.26156 2.47074 0.148 16.31121 H ? A ? 22 HB2 1
   ATOM 381 HB3 B CYS A 22 ? -2.53089 5.06879 1.86144 0.148 16.31121 H ? A ? 22 HB3 1
   ATOM 382 HG B CYS A 22 ? -0.10192 5.08864 0.62756 0.148 17.27056 H ? A ? 22 HG 1
   ATOM 383 N . VAL A 23 ? -5.14951 6.04163 2.79220 1.000 14.28608 N ? A ? 23 N 1
   ATOM 384 CA . VAL A 23 ? -6.08927 5.96163 3.90613 1.000 13.16894 C ? A ? 23 CA 1
   ATOM 385 C . VAL A 23 ? -5.92996 4.58196 4.51905 1.000 13.02993 C ? A ? 23 C 1
   ATOM 386 O . VAL A 23 ? -6.12341 3.57619 3.84282 1.000 13.32863 O ? A ? 23 O 1
   ATOM 387 CB . VAL A 23 ? -7.53118 6.20931 3.44597 1.000 12.34983 C ? A ? 23 CB 1
   ATOM 388 CG1 . VAL A 23 ? -8.44237 6.26834 4.63447 1.000 14.35124 C ? A ? 23 CG1 1
   ATOM 389 CG2 . VAL A 23 ? -7.56125 7.48504 2.61542 1.000 20.63121 C ? A ? 23 CG2 1
   ATOM 390 HA . VAL A 23 ? -5.87424 6.62708 4.57831 1.000 15.83960 H ? A ? 23 HA 1
   ATOM 391 HB . VAL A 23 ? -7.85463 5.48438 2.88851 1.000 14.85668 H ? A ? 23 HB 1
   ATOM 392 HG11 . VAL A 23 ? -9.33446 6.50617 4.33696 1.000 17.25837 H ? A ? 23 HG11 1
   ATOM 393 HG12 . VAL A 23 ? -8.45780 5.39880 5.06407 1.000 17.25837 H ? A ? 23 HG12 1
   ATOM 394 HG13 . VAL A 23 ? -8.11084 6.93736 5.25366 1.000 17.25837 H ? A ? 23 HG13 1
   ATOM 395 HG21 . VAL A 23 ? -8.48443 7.73844 2.45914 1.000 24.79434 H ? A ? 23 HG21 1
   ATOM 396 HG22 . VAL A 23 ? -7.10270 8.18869 3.10071 1.000 24.79434 H ? A ? 23 HG22 1
   ATOM 397 HG23 . VAL A 23 ? -7.11531 7.32179 1.76961 1.000 24.79434 H ? A ? 23 HG23 1
   ATOM 398 H A VAL A 23 ? -5.37311 5.55471 2.11951 0.852 17.18017 H ? A ? 23 H 1
   ATOM 399 H B VAL A 23 ? -5.25577 5.41382 2.21414 0.148 17.18017 H ? A ? 23 H 1
   ATOM 400 N . VAL A 24 ? -5.56607 4.53248 5.79123 1.000 12.08680 N ? A ? 24 N 1
   ATOM 401 CA . VAL A 24 ? -5.15509 3.27658 6.39794 1.000 13.65788 C ? A ? 24 CA 1
   ATOM 402 C . VAL A 24 ? -5.77115 3.17964 7.77845 1.000 15.66313 C ? A ? 24 C 1
   ATOM 403 O . VAL A 24 ? -6.09535 4.18290 8.40477 1.000 15.39141 O ? A ? 24 O 1
   ATOM 404 CB . VAL A 24 ? -3.62179 3.15302 6.52769 1.000 13.52753 C ? A ? 24 CB 1
   ATOM 405 CG1 . VAL A 24 ? -2.93972 3.37215 5.20806 1.000 14.12098 C ? A ? 24 CG1 1
   ATOM 406 CG2 . VAL A 24 ? -3.10711 4.12846 7.57872 1.000 13.93305 C ? A ? 24 CG2 1
   ATOM 407 H . VAL A 24 ? -5.54906 5.20985 6.32084 1.000 14.54104 H ? A ? 24 H 1
   ATOM 408 HA . VAL A 24 ? -5.48235 2.54807 5.84742 1.000 16.42634 H ? A ? 24 HA 1
   ATOM 409 HB . VAL A 24 ? -3.40546 2.25131 6.81231 1.000 16.26992 H ? A ? 24 HB 1
   ATOM 410 HG11 . VAL A 24 ? -1.98633 3.23126 5.31810 1.000 16.98206 H ? A ? 24 HG11 1
   ATOM 411 HG12 . VAL A 24 ? -3.29456 2.74281 4.56082 1.000 16.98206 H ? A ? 24 HG12 1
   ATOM 412 HG13 . VAL A 24 ? -3.10791 4.28063 4.91264 1.000 16.98206 H ? A ? 24 HG13 1
   ATOM 413 HG21 . VAL A 24 ? -2.15397 4.25587 7.45149 1.000 16.75654 H ? A ? 24 HG21 1
   ATOM 414 HG22 . VAL A 24 ? -3.57032 4.97473 7.47790 1.000 16.75654 H ? A ? 24 HG22 1
   ATOM 415 HG23 . VAL A 24 ? -3.27698 3.76138 8.46036 1.000 16.75654 H ? A ? 24 HG23 1
   ATOM 416 N . HIS A 25 ? -5.89728 1.94723 8.25750 1.000 13.67624 N ? A ? 25 N 1
   ATOM 417 CA . HIS A 25 ? -6.10387 1.66290 9.66460 1.000 13.79344 C ? A ? 25 CA 1
   ATOM 418 C . HIS A 25 ? -4.84618 1.00288 10.20312 1.000 12.67747 C ? A ? 25 C 1
   ATOM 419 O . HIS A 25 ? -4.24558 0.16114 9.52660 1.000 12.55634 O ? A ? 25 O 1
   ATOM 420 CB . HIS A 25 ? -7.31857 0.75884 9.87624 1.000 18.10332 C ? A ? 25 CB 1
   ATOM 421 CG . HIS A 25 ? -8.52632 1.50484 10.32384 1.000 25.47178 C ? A ? 25 CG 1
   ATOM 422 ND1 . HIS A 25 ? -8.45704 2.47131 11.30394 1.000 22.68008 N ? A ? 25 ND1 1
   ATOM 423 CD2 . HIS A 25 ? -9.82357 1.44476 9.93994 1.000 26.91503 C ? A ? 25 CD2 1
   ATOM 424 CE1 . HIS A 25 ? -9.65311 2.99131 11.48583 1.000 31.93726 C ? A ? 25 CE1 1
   ATOM 425 NE2 . HIS A 25 ? -10.50899 2.37088 10.69097 1.000 23.28794 N ? A ? 25 NE2 1
   ATOM 426 H . HIS A 25 ? -5.86509 1.24045 7.76860 1.000 16.44837 H ? A ? 25 H 1
   ATOM 427 HA . HIS A 25 ? -6.26985 2.48093 10.15876 1.000 16.58901 H ? A ? 25 HA 1
   ATOM 428 HB2 . HIS A 25 ? -7.53230 0.31739 9.03938 1.000 21.76087 H ? A ? 25 HB2 1
   ATOM 429 HB3 . HIS A 25 ? -7.10572 0.09892 10.55454 1.000 21.76087 H ? A ? 25 HB3 1
   ATOM 430 HD2 . HIS A 25 ? -10.18293 0.88353 9.29128 1.000 32.33492 H ? A ? 25 HD2 1
   ATOM 431 HE1 . HIS A 25 ? -9.86131 3.68006 12.07504 1.000 38.36160 H ? A ? 25 HE1 1
   ATOM 432 HE2 . HIS A 25 ? -11.35469 2.52169 10.65043 1.000 27.98241 H ? A ? 25 HE2 1
   ATOM 433 N . TYR A 26 ? -4.44390 1.36459 11.40934 1.000 8.15476 N ? A ? 26 N 1
   ATOM 434 CA . TYR A 26 ? -3.24862 0.74584 11.95706 1.000 11.58540 C ? A ? 26 CA 1
   ATOM 435 C . TYR A 26 ? -3.35228 0.52911 13.45257 1.000 10.94579 C ? A ? 26 C 1
   ATOM 436 O . TYR A 26 ? -4.11707 1.19301 14.16018 1.000 11.98864 O ? A ? 26 O 1
   ATOM 437 CB . TYR A 26 ? -2.00408 1.58184 11.64634 1.000 11.97248 C ? A ? 26 CB 1
   ATOM 438 CG . TYR A 26 ? -1.89206 2.87988 12.43519 1.000 10.32746 C ? A ? 26 CG 1
   ATOM 439 CD1 . TYR A 26 ? -1.20772 2.92263 13.63039 1.000 11.96042 C ? A ? 26 CD1 1
   ATOM 440 CD2 . TYR A 26 ? -2.40307 4.06486 11.92826 1.000 10.45169 C ? A ? 26 CD2 1
   ATOM 441 CE1 . TYR A 26 ? -1.08758 4.10299 14.33688 1.000 10.13535 C ? A ? 26 CE1 1
   ATOM 442 CE2 . TYR A 26 ? -2.29372 5.22388 12.59230 1.000 12.84838 C ? A ? 26 CE2 1
   ATOM 443 CZ . TYR A 26 ? -1.61874 5.26863 13.80306 1.000 9.00401 C ? A ? 26 CZ 1
   ATOM 444 OH . TYR A 26 ? -1.51832 6.47789 14.49047 1.000 13.21402 O ? A ? 26 OH 1
   ATOM 445 H . TYR A 26 ? -4.83147 1.94473 11.91215 1.000 9.82260 H ? A ? 26 H 1
   ATOM 446 HA . TYR A 26 ? -3.16708 -0.13464 11.55831 1.000 13.93936 H ? A ? 26 HA 1
   ATOM 447 HB2 . TYR A 26 ? -1.21815 1.04997 11.84717 1.000 14.40386 H ? A ? 26 HB2 1
   ATOM 448 HB3 . TYR A 26 ? -2.01621 1.81331 10.70444 1.000 14.40386 H ? A ? 26 HB3 1
   ATOM 449 HD1 . TYR A 26 ? -0.82149 2.14596 13.96582 1.000 14.38939 H ? A ? 26 HD1 1
   ATOM 450 HD2 . TYR A 26 ? -2.83390 4.05518 11.10413 1.000 12.57891 H ? A ? 26 HD2 1
   ATOM 451 HE1 . TYR A 26 ? -0.65590 4.11663 15.16051 1.000 12.19931 H ? A ? 26 HE1 1
   ATOM 452 HE2 . TYR A 26 ? -2.67051 5.99823 12.24116 1.000 15.45494 H ? A ? 26 HE2 1
   ATOM 453 HH . TYR A 26 ? -2.00807 6.46205 15.17274 1.000 15.89370 H ? A ? 26 HH 1
   ATOM 454 N . THR A 27 ? -2.55515 -0.42810 13.91974 1.000 8.70631 N ? A ? 27 N 1
   ATOM 455 CA . THR A 27 ? -2.20762 -0.58241 15.32127 1.000 11.23477 C ? A ? 27 CA 1
   ATOM 456 C . THR A 27 ? -0.69647 -0.65442 15.41608 1.000 9.72260 C ? A ? 27 C 1
   ATOM 457 O . THR A 27 ? -0.06101 -1.33875 14.61504 1.000 13.19271 O ? A ? 27 O 1
   ATOM 458 CB . THR A 27 ? -2.83372 -1.82403 15.92314 1.000 12.46107 C ? A ? 27 CB 1
   ATOM 459 OG1 . THR A 27 ? -4.25209 -1.72474 15.79980 1.000 15.55676 O ? A ? 27 OG1 1
   ATOM 460 CG2 . THR A 27 ? -2.45034 -1.98266 17.39658 1.000 18.03112 C ? A ? 27 CG2 1
   ATOM 461 H . THR A 27 ? -2.18951 -1.02416 13.41913 1.000 10.48446 H ? A ? 27 H 1
   ATOM 462 HA . THR A 27 ? -2.52702 0.17455 15.83691 1.000 13.51861 H ? A ? 27 HA 1
   ATOM 463 HB . THR A 27 ? -2.51322 -2.61201 15.45702 1.000 14.99017 H ? A ? 27 HB 1
   ATOM 464 HG1 . THR A 27 ? -4.45684 -1.48853 15.02014 1.000 18.70500 H ? A ? 27 HG1 1
   ATOM 465 HG21 . THR A 27 ? -2.97811 -2.68799 17.80263 1.000 21.67422 H ? A ? 27 HG21 1
   ATOM 466 HG22 . THR A 27 ? -1.51030 -2.20959 17.47221 1.000 21.67422 H ? A ? 27 HG22 1
   ATOM 467 HG23 . THR A 27 ? -2.61334 -1.15355 17.87292 1.000 21.67422 H ? A ? 27 HG23 1
   ATOM 468 N . GLY A 28 ? -0.14370 0.04077 16.40185 1.000 9.47136 N ? A ? 28 N 1
   ATOM 469 CA . GLY A 28 ? 1.29993 0.11761 16.57525 1.000 12.23680 C ? A ? 28 CA 1
   ATOM 470 C . GLY A 28 ? 1.70665 -0.33772 17.95252 1.000 13.81111 C ? A ? 28 C 1
   ATOM 471 O . GLY A 28 ? 1.07054 -0.00097 18.95273 1.000 12.20768 O ? A ? 28 O 1
   ATOM 472 H . GLY A 28 ? -0.58857 0.48223 16.99075 1.000 11.40251 H ? A ? 28 H 1
   ATOM 473 HA2 . GLY A 28 ? 1.73778 -0.44720 15.91937 1.000 14.72104 H ? A ? 28 HA2 1
   ATOM 474 HA3 . GLY A 28 ? 1.59513 1.03320 16.45092 1.000 14.72104 H ? A ? 28 HA3 1
   ATOM 475 N A MET A 29 ? 2.76530 -1.14980 18.00521 0.515 11.42767 N ? A ? 29 N 1
   ATOM 476 CA A MET A 29 ? 3.30382 -1.62561 19.26758 0.515 12.24222 C ? A ? 29 CA 1
   ATOM 477 C A MET A 29 ? 4.82225 -1.65653 19.21431 0.515 12.40279 C ? A ? 29 C 1
   ATOM 478 O A MET A 29 ? 5.43282 -1.69922 18.14260 0.515 11.75568 O ? A ? 29 O 1
   ATOM 479 CB A MET A 29 ? 2.78682 -3.02539 19.63141 0.515 13.15952 C ? A ? 29 CB 1
   ATOM 480 CG A MET A 29 ? 3.26579 -4.12295 18.69828 0.515 14.36473 C ? A ? 29 CG 1
   ATOM 481 SD A MET A 29 ? 2.57674 -5.73225 19.13197 0.515 14.01083 S ? A ? 29 SD 1
   ATOM 482 CE A MET A 29 ? 3.62710 -6.24698 20.47138 0.515 19.26795 C ? A ? 29 CE 1
   ATOM 483 H A MET A 29 ? 3.18819 -1.43806 17.31408 0.515 13.75008 H ? A ? 29 H 1
   ATOM 484 HA A MET A 29 ? 3.02254 -1.00306 19.95621 0.515 14.72755 H ? A ? 29 HA 1
   ATOM 485 HB2 A MET A 29 ? 3.08986 -3.24575 20.52612 0.515 15.82831 H ? A ? 29 HB2 1
   ATOM 486 HB3 A MET A 29 ? 1.81730 -3.01582 19.60247 0.515 15.82831 H ? A ? 29 HB3 1
   ATOM 487 HG2 A MET A 29 ? 2.99340 -3.91152 17.79164 0.515 17.27456 H ? A ? 29 HG2 1
   ATOM 488 HG3 A MET A 29 ? 4.23255 -4.18424 18.74848 0.515 17.27456 H ? A ? 29 HG3 1
   ATOM 489 HE1 A MET A 29 ? 3.29017 -7.08102 20.83436 0.515 23.15842 H ? A ? 29 HE1 1
   ATOM 490 HE2 A MET A 29 ? 4.52843 -6.37252 20.13559 0.515 23.15842 H ? A ? 29 HE2 1
   ATOM 491 HE3 A MET A 29 ? 3.62231 -5.56162 21.15779 0.515 23.15842 H ? A ? 29 HE3 1
   ATOM 492 N B MET A 29 ? 2.77895 -1.13019 18.00935 0.485 11.44314 N ? A ? 29 N 1
   ATOM 493 CA B MET A 29 ? 3.29527 -1.60037 19.28271 0.485 12.25206 C ? A ? 29 CA 1
   ATOM 494 C B MET A 29 ? 4.80870 -1.70849 19.22620 0.485 12.39313 C ? A ? 29 C 1
   ATOM 495 O B MET A 29 ? 5.40254 -1.85323 18.15389 0.485 11.84920 O ? A ? 29 O 1
   ATOM 496 CB B MET A 29 ? 2.70353 -2.95845 19.67341 0.485 13.20065 C ? A ? 29 CB 1
   ATOM 497 CG B MET A 29 ? 3.08899 -4.07566 18.72717 0.485 14.39338 C ? A ? 29 CG 1
   ATOM 498 SD B MET A 29 ? 2.08739 -5.54319 18.99542 0.485 12.74920 S ? A ? 29 SD 1
   ATOM 499 CE B MET A 29 ? 2.61703 -6.02401 20.63637 0.485 15.78024 C ? A ? 29 CE 1
   ATOM 500 H B MET A 29 ? 3.21920 -1.40515 17.32366 0.485 13.76865 H ? A ? 29 H 1
   ATOM 501 HA B MET A 29 ? 3.05296 -0.94950 19.95988 0.485 14.73935 H ? A ? 29 HA 1
   ATOM 502 HB2 B MET A 29 ? 3.02072 -3.19539 20.55893 0.485 15.87766 H ? A ? 29 HB2 1
   ATOM 503 HB3 B MET A 29 ? 1.73596 -2.88992 19.67492 0.485 15.87766 H ? A ? 29 HB3 1
   ATOM 504 HG2 B MET A 29 ? 2.95865 -3.78042 17.81244 0.485 17.30894 H ? A ? 29 HG2 1
   ATOM 505 HG3 B MET A 29 ? 4.01908 -4.31075 18.87057 0.485 17.30894 H ? A ? 29 HG3 1
   ATOM 506 HE1 B MET A 29 ? 2.17122 -6.84947 20.88290 0.485 18.97317 H ? A ? 29 HE1 1
   ATOM 507 HE2 B MET A 29 ? 3.57805 -6.15561 20.63214 0.485 18.97317 H ? A ? 29 HE2 1
   ATOM 508 HE3 B MET A 29 ? 2.38213 -5.32144 21.26256 0.485 18.97317 H ? A ? 29 HE3 1
   ATOM 509 N . LEU A 30 ? 5.43208 -1.61463 20.39002 1.000 10.96092 N ? A ? 30 N 1
   ATOM 510 CA . LEU A 30 ? 6.83644 -1.93575 20.50800 1.000 13.07648 C ? A ? 30 CA 1
   ATOM 511 C . LEU A 30 ? 6.97157 -3.43430 20.28140 1.000 13.73060 C ? A ? 30 C 1
   ATOM 512 O . LEU A 30 ? 6.07479 -4.19703 20.63001 1.000 12.20354 O ? A ? 30 O 1
   ATOM 513 CB . LEU A 30 ? 7.35412 -1.52484 21.88049 1.000 12.60002 C ? A ? 30 CB 1
   ATOM 514 CG . LEU A 30 ? 7.20354 -0.02805 22.18673 1.000 14.22764 C ? A ? 30 CG 1
   ATOM 515 CD1 . LEU A 30 ? 7.55237 0.27271 23.63934 1.000 19.78281 C ? A ? 30 CD1 1
   ATOM 516 CD2 . LEU A 30 ? 8.09768 0.81704 21.30070 1.000 16.01362 C ? A ? 30 CD2 1
   ATOM 517 HA . LEU A 30 ? 7.37999 -1.45916 19.86122 1.000 15.72866 H ? A ? 30 HA 1
   ATOM 518 HB2 . LEU A 30 ? 6.86135 -2.01540 22.55682 1.000 15.15690 H ? A ? 30 HB2 1
   ATOM 519 HB3 . LEU A 30 ? 8.29768 -1.74340 21.93362 1.000 15.15690 H ? A ? 30 HB3 1
   ATOM 520 HG . LEU A 30 ? 6.27706 0.20430 22.01781 1.000 17.11005 H ? A ? 30 HG 1
   ATOM 521 HD11 . LEU A 30 ? 7.47261 1.22728 23.79215 1.000 23.77625 H ? A ? 30 HD11 1
   ATOM 522 HD12 . LEU A 30 ? 6.93878 -0.20720 24.21735 1.000 23.77625 H ? A ? 30 HD12 1
   ATOM 523 HD13 . LEU A 30 ? 8.46257 -0.01494 23.81163 1.000 23.77625 H ? A ? 30 HD13 1
   ATOM 524 HD21 . LEU A 30 ? 8.05959 1.73864 21.60089 1.000 19.25322 H ? A ? 30 HD21 1
   ATOM 525 HD22 . LEU A 30 ? 9.00741 0.48625 21.36286 1.000 19.25322 H ? A ? 30 HD22 1
   ATOM 526 HD23 . LEU A 30 ? 7.78477 0.75431 20.38471 1.000 19.25322 H ? A ? 30 HD23 1
   ATOM 527 H A LEU A 30 ? 5.05198 -1.40294 21.13185 0.515 13.18998 H ? A ? 30 H 1
   ATOM 528 H B LEU A 30 ? 5.06139 -1.36684 21.12540 0.485 13.18998 H ? A ? 30 H 1
   ATOM 529 N . GLU A 31 ? 8.04148 -3.84344 19.60832 1.000 11.97815 N ? A ? 31 N 1
   ATOM 530 CA . GLU A 31 ? 8.19777 -5.25690 19.28452 1.000 15.26299 C ? A ? 31 CA 1
   ATOM 531 C . GLU A 31 ? 8.20384 -6.07932 20.56679 1.000 18.85468 C ? A ? 31 C 1
   ATOM 532 O . GLU A 31 ? 8.92707 -5.76291 21.50700 1.000 18.55403 O ? A ? 31 O 1
   ATOM 533 CB . GLU A 31 ? 9.49552 -5.48003 18.52256 1.000 14.84395 C ? A ? 31 CB 1
   ATOM 534 CG . GLU A 31 ? 9.71299 -6.92975 18.06856 1.000 18.35364 C ? A ? 31 CG 1
   ATOM 535 CD . GLU A 31 ? 11.03050 -7.09779 17.29463 1.000 21.48617 C ? A ? 31 CD 1
   ATOM 536 OE1 . GLU A 31 ? 12.08144 -6.62164 17.80933 1.000 23.35609 O ? A ? 31 OE1 1
   ATOM 537 OE2 . GLU A 31 ? 11.00449 -7.71152 16.18840 1.000 20.88341 O ? A ? 31 OE2 1
   ATOM 538 H . GLU A 31 ? 8.67779 -3.33444 19.33333 1.000 14.41066 H ? A ? 31 H 1
   ATOM 539 HA . GLU A 31 ? 7.46139 -5.54603 18.72323 1.000 18.35247 H ? A ? 31 HA 1
   ATOM 540 HB2 . GLU A 31 ? 9.49068 -4.92048 17.73023 1.000 17.84962 H ? A ? 31 HB2 1
   ATOM 541 HB3 . GLU A 31 ? 10.23856 -5.23613 19.09641 1.000 17.84962 H ? A ? 31 HB3 1
   ATOM 542 HG2 . GLU A 31 ? 9.74290 -7.50710 18.84746 1.000 22.06125 H ? A ? 31 HG2 1
   ATOM 543 HG3 . GLU A 31 ? 8.98347 -7.19493 17.48685 1.000 22.06125 H ? A ? 31 HG3 1
   ATOM 544 N . ASP A 32 ? 7.38701 -7.13589 20.60239 1.000 20.78894 N ? A ? 32 N 1
   ATOM 545 CA . ASP A 32 ? 7.22028 -7.94235 21.82107 1.000 24.68700 C ? A ? 32 CA 1
   ATOM 546 C . ASP A 32 ? 6.99117 -7.05793 23.04573 1.000 18.70535 C ? A ? 32 C 1
   ATOM 547 O . ASP A 32 ? 7.43111 -7.36568 24.16262 1.000 25.58093 O ? A ? 32 O 1
   ATOM 548 CB . ASP A 32 ? 8.42025 -8.86083 22.03418 1.000 28.84448 C ? A ? 32 CB 1
   ATOM 549 CG . ASP A 32 ? 8.52259 -9.95782 20.98065 1.000 25.76075 C ? A ? 32 CG 1
   ATOM 550 OD1 . ASP A 32 ? 7.48740 -10.32156 20.37247 1.000 24.48187 O ? A ? 32 OD1 1
   ATOM 551 OD2 . ASP A 32 ? 9.65145 -10.45733 20.77402 1.000 20.29885 O ? A ? 32 OD2 1
   ATOM 552 H . ASP A 32 ? 6.91751 -7.40778 19.93512 1.000 24.98361 H ? A ? 32 H 1
   ATOM 553 HA . ASP A 32 ? 6.43124 -8.49577 21.71129 1.000 29.66129 H ? A ? 32 HA 1
   ATOM 554 HB2 . ASP A 32 ? 9.23276 -8.33239 21.99587 1.000 34.65025 H ? A ? 32 HB2 1
   ATOM 555 HB3 . ASP A 32 ? 8.34174 -9.28615 22.90242 1.000 34.65025 H ? A ? 32 HB3 1
   ATOM 556 N . GLY A 33 ? 6.26036 -5.96456 22.84125 1.000 21.44351 N ? A ? 33 N 1
   ATOM 557 CA . GLY A 33 ? 6.08855 -4.94872 23.85618 1.000 17.49319 C ? A ? 33 CA 1
   ATOM 558 C . GLY A 33 ? 4.70364 -4.34352 23.85682 1.000 14.28897 C ? A ? 33 C 1
   ATOM 559 O . GLY A 33 ? 3.71873 -4.98534 23.48525 1.000 22.70988 O ? A ? 33 O 1
   ATOM 560 H . GLY A 33 ? 5.84848 -5.79047 22.10664 1.000 25.76909 H ? A ? 33 H 1
   ATOM 561 HA2 . GLY A 33 ? 6.24890 -5.34021 24.72906 1.000 21.02870 H ? A ? 33 HA2 1
   ATOM 562 HA3 . GLY A 33 ? 6.73048 -4.23710 23.70648 1.000 21.02870 H ? A ? 33 HA3 1
   ATOM 563 N . LYS A 34 ? 4.59825 -3.11582 24.33579 1.000 19.51888 N ? A ? 34 N 1
   ATOM 564 CA . LYS A 34 ? 3.29975 -2.53282 24.60729 1.000 19.30864 C ? A ? 34 CA 1
   ATOM 565 C . LYS A 34 ? 2.73207 -1.89681 23.35278 1.000 20.00465 C ? A ? 34 C 1
   ATOM 566 O . LYS A 34 ? 3.46493 -1.29591 22.56284 1.000 13.69048 O ? A ? 34 O 1
   ATOM 567 CB . LYS A 34 ? 3.41156 -1.49251 25.72391 1.000 28.31445 C ? A ? 34 CB 1
   ATOM 568 CG . LYS A 34 ? 3.04669 -2.04945 27.11067 1.000 34.90719 C ? A ? 34 CG 1
   ATOM 569 CD . LYS A 34 ? 3.39854 -1.10595 28.25236 1.000 36.93329 C ? A ? 34 CD 1
   ATOM 570 CE . LYS A 34 ? 3.15527 -1.80270 29.59345 1.000 44.50418 C ? A ? 34 CE 1
   ATOM 571 NZ . LYS A 34 ? 3.29150 -0.89866 30.77791 1.000 43.49996 N ? A ? 34 NZ 1
   ATOM 572 H . LYS A 34 ? 5.26465 -2.60136 24.51143 1.000 23.45954 H ? A ? 34 H 1
   ATOM 573 HA . LYS A 34 ? 2.68447 -3.22565 24.89421 1.000 23.20725 H ? A ? 34 HA 1
   ATOM 574 HB2 . LYS A 34 ? 4.32582 -1.17074 25.76267 1.000 34.01422 H ? A ? 34 HB2 1
   ATOM 575 HB3 . LYS A 34 ? 2.80914 -0.75752 25.52957 1.000 34.01422 H ? A ? 34 HB3 1
   ATOM 576 HG2 . LYS A 34 ? 2.09073 -2.21078 27.14278 1.000 41.92550 H ? A ? 34 HG2 1
   ATOM 577 HG3 . LYS A 34 ? 3.52816 -2.87950 27.25242 1.000 41.92550 H ? A ? 34 HG3 1
   ATOM 578 HD2 . LYS A 34 ? 4.33426 -0.85681 28.19528 1.000 44.35683 H ? A ? 34 HD2 1
   ATOM 579 HD3 . LYS A 34 ? 2.84087 -0.31360 28.20661 1.000 44.35683 H ? A ? 34 HD3 1
   ATOM 580 HE2 . LYS A 34 ? 2.25470 -2.16301 29.59922 1.000 53.44190 H ? A ? 34 HE2 1
   ATOM 581 HE3 . LYS A 34 ? 3.80030 -2.52014 29.69404 1.000 53.44190 H ? A ? 34 HE3 1
   ATOM 582 HZ1 . LYS A 34 ? 3.18541 -1.36349 31.52942 1.000 52.23684 H ? A ? 34 HZ1 1
   ATOM 583 HZ2 . LYS A 34 ? 4.09802 -0.52235 30.78246 1.000 52.23684 H ? A ? 34 HZ2 1
   ATOM 584 HZ3 . LYS A 34 ? 2.67421 -0.25838 30.74474 1.000 52.23684 H ? A ? 34 HZ3 1
   ATOM 585 N . LYS A 35 ? 1.42211 -2.06595 23.16920 1.000 16.31815 N ? A ? 35 N 1
   ATOM 586 CA . LYS A 35 ? 0.67590 -1.30384 22.17903 1.000 13.39044 C ? A ? 35 CA 1
   ATOM 587 C . LYS A 35 ? 0.66929 0.16533 22.57607 1.000 22.17313 C ? A ? 35 C 1
   ATOM 588 O . LYS A 35 ? 0.40224 0.49462 23.73200 1.000 26.47651 O ? A ? 35 O 1
   ATOM 589 CB . LYS A 35 ? -0.74576 -1.84353 22.08999 1.000 13.24925 C ? A ? 35 CB 1
   ATOM 590 CG . LYS A 35 ? -0.81783 -3.25379 21.51308 1.000 18.54086 C ? A ? 35 CG 1
   ATOM 591 CD . LYS A 35 ? -2.23874 -3.80574 21.50392 1.000 33.91821 C ? A ? 35 CD 1
   ATOM 592 CE . LYS A 35 ? -2.57611 -4.47677 22.83396 1.000 45.95162 C ? A ? 35 CE 1
   ATOM 593 NZ . LYS A 35 ? -3.69007 -3.78656 23.56935 1.000 72.29497 N ? A ? 35 NZ 1
   ATOM 594 H . LYS A 35 ? 0.93946 -2.62317 23.61210 1.000 19.61866 H ? A ? 35 H 1
   ATOM 595 HA . LYS A 35 ? 1.08645 -1.38434 21.30389 1.000 16.10541 H ? A ? 35 HA 1
   ATOM 596 HB2 . LYS A 35 ? -1.12972 -1.86527 22.98049 1.000 15.93598 H ? A ? 35 HB2 1
   ATOM 597 HB3 . LYS A 35 ? -1.26794 -1.25981 21.51771 1.000 15.93598 H ? A ? 35 HB3 1
   ATOM 598 HG2 . LYS A 35 ? -0.49429 -3.24011 20.59873 1.000 22.28592 H ? A ? 35 HG2 1
   ATOM 599 HG3 . LYS A 35 ? -0.26846 -3.84556 22.05057 1.000 22.28592 H ? A ? 35 HG3 1
   ATOM 600 HD2 . LYS A 35 ? -2.86602 -3.08025 21.35872 1.000 40.73874 H ? A ? 35 HD2 1
   ATOM 601 HD3 . LYS A 35 ? -2.32454 -4.46489 20.79749 1.000 40.73874 H ? A ? 35 HD3 1
   ATOM 602 HE2 . LYS A 35 ? -2.85034 -5.39185 22.66564 1.000 55.17883 H ? A ? 35 HE2 1
   ATOM 603 HE3 . LYS A 35 ? -1.79000 -4.46520 23.40212 1.000 55.17883 H ? A ? 35 HE3 1
   ATOM 604 HZ1 . LYS A 35 ? -3.86098 -4.21227 24.33202 1.000 86.79084 H ? A ? 35 HZ1 1
   ATOM 605 HZ2 . LYS A 35 ? -3.45930 -2.94679 23.75275 1.000 86.79084 H ? A ? 35 HZ2 1
   ATOM 606 HZ3 . LYS A 35 ? -4.42689 -3.78118 23.07018 1.000 86.79084 H ? A ? 35 HZ3 1
   ATOM 607 N . PHE A 36 ? 1.02891 1.05386 21.64134 1.000 12.95939 N ? A ? 36 N 1
   ATOM 608 CA . PHE A 36 ? 1.03107 2.47881 21.94319 1.000 15.69622 C ? A ? 36 CA 1
   ATOM 609 C . PHE A 36 ? 0.04677 3.28662 21.11989 1.000 14.39712 C ? A ? 36 C 1
   ATOM 610 O . PHE A 36 ? -0.21867 4.44358 21.46992 1.000 19.92210 O ? A ? 36 O 1
   ATOM 611 CB . PHE A 36 ? 2.44635 3.07680 21.79450 1.000 14.65342 C ? A ? 36 CB 1
   ATOM 612 CG . PHE A 36 ? 3.08561 2.82897 20.46531 1.000 11.35856 C ? A ? 36 CG 1
   ATOM 613 CD1 . PHE A 36 ? 2.76024 3.60524 19.34603 1.000 15.61704 C ? A ? 36 CD1 1
   ATOM 614 CD2 . PHE A 36 ? 4.01243 1.82083 20.31904 1.000 10.22830 C ? A ? 36 CD2 1
   ATOM 615 CE1 . PHE A 36 ? 3.34254 3.36542 18.13158 1.000 11.15268 C ? A ? 36 CE1 1
   ATOM 616 CE2 . PHE A 36 ? 4.60609 1.57944 19.06879 1.000 11.17973 C ? A ? 36 CE2 1
   ATOM 617 CZ . PHE A 36 ? 4.26563 2.35835 17.98734 1.000 11.07368 C ? A ? 36 CZ 1
   ATOM 618 H . PHE A 36 ? 1.27049 0.85323 20.84072 1.000 15.58814 H ? A ? 36 H 1
   ATOM 619 HA . PHE A 36 ? 0.77948 2.58779 22.87363 1.000 18.87235 H ? A ? 36 HA 1
   ATOM 620 HB2 . PHE A 36 ? 2.39099 4.03721 21.91876 1.000 17.62099 H ? A ? 36 HB2 1
   ATOM 621 HB3 . PHE A 36 ? 3.01970 2.68700 22.47289 1.000 17.62099 H ? A ? 36 HB3 1
   ATOM 622 HD1 . PHE A 36 ? 2.13991 4.29308 19.42948 1.000 18.77732 H ? A ? 36 HD1 1
   ATOM 623 HD2 . PHE A 36 ? 4.24639 1.29740 21.05129 1.000 12.31084 H ? A ? 36 HD2 1
   ATOM 624 HE1 . PHE A 36 ? 3.11168 3.88824 17.39791 1.000 13.42009 H ? A ? 36 HE1 1
   ATOM 625 HE2 . PHE A 36 ? 5.22786 0.89457 18.97256 1.000 13.45256 H ? A ? 36 HE2 1
   ATOM 626 HZ . PHE A 36 ? 4.65993 2.20335 17.15946 1.000 13.32530 H ? A ? 36 HZ 1
   ATOM 627 N . ASP A 37 ? -0.55550 2.71645 20.08114 1.000 12.44105 N ? A ? 37 N 1
   ATOM 628 CA . ASP A 37 ? -1.45615 3.52116 19.27707 1.000 12.41657 C ? A ? 37 CA 1
   ATOM 629 C . ASP A 37 ? -2.30649 2.63050 18.39593 1.000 21.58769 C ? A ? 37 C 1
   ATOM 630 O . ASP A 37 ? -1.86094 1.57282 17.94671 1.000 13.87068 O ? A ? 37 O 1
   ATOM 631 CB . ASP A 37 ? -0.66734 4.51614 18.41541 1.000 13.71093 C ? A ? 37 CB 1
   ATOM 632 CG . ASP A 37 ? -1.53258 5.60737 17.85046 1.000 15.71381 C ? A ? 37 CG 1
   ATOM 633 OD1 . ASP A 37 ? -2.72126 5.68204 18.20409 1.000 20.53489 O ? A ? 37 OD1 1
   ATOM 634 OD2 . ASP A 37 ? -1.01341 6.45537 17.10788 1.000 13.27508 O ? A ? 37 OD2 1
   ATOM 635 H . ASP A 37 ? -0.46039 1.89809 19.83448 1.000 14.96614 H ? A ? 37 H 1
   ATOM 636 HA . ASP A 37 ? -2.05792 4.00508 19.86409 1.000 14.93677 H ? A ? 37 HA 1
   ATOM 637 HB2 . ASP A 37 ? 0.02058 4.93004 18.95980 1.000 16.49000 H ? A ? 37 HB2 1
   ATOM 638 HB3 . ASP A 37 ? -0.26190 4.04026 17.67375 1.000 16.49000 H ? A ? 37 HB3 1
   ATOM 639 N . SER A 38 ? -3.53209 3.08290 18.13444 1.000 13.94099 N ? A ? 38 N 1
   ATOM 640 CA . SER A 38 ? -4.41063 2.36109 17.21471 1.000 16.34366 C ? A ? 38 CA 1
   ATOM 641 C . SER A 38 ? -5.44914 3.31171 16.65312 1.000 14.23404 C ? A ? 38 C 1
   ATOM 642 O . SER A 38 ? -6.25492 3.85238 17.41776 1.000 18.15923 O ? A ? 38 O 1
   ATOM 643 CB . SER A 38 ? -5.09371 1.19812 17.93262 1.000 26.25214 C ? A ? 38 CB 1
   ATOM 644 OG . SER A 38 ? -6.20188 0.72336 17.18679 1.000 28.42922 O ? A ? 38 OG 1
   ATOM 645 H . SER A 38 ? -3.87404 3.79601 18.47230 1.000 16.76607 H ? A ? 38 H 1
   ATOM 646 HA . SER A 38 ? -3.88127 2.02289 16.47559 1.000 19.64927 H ? A ? 38 HA 1
   ATOM 647 HB2 . SER A 38 ? -4.45499 0.47642 18.04254 1.000 31.53945 H ? A ? 38 HB2 1
   ATOM 648 HB3 . SER A 38 ? -5.40403 1.50151 18.80012 1.000 31.53945 H ? A ? 38 HB3 1
   ATOM 649 HG . SER A 38 ? -6.74132 0.32722 17.69440 1.000 34.15194 H ? A ? 38 HG 1
   ATOM 650 N . SER A 39 ? -5.45001 3.51933 15.32957 1.000 14.87845 N ? A ? 39 N 1
   ATOM 651 CA . SER A 39 ? -6.50499 4.33736 14.74060 1.000 19.01180 C ? A ? 39 CA 1
   ATOM 652 C . SER A 39 ? -7.84930 3.62595 14.76970 1.000 28.99305 C ? A ? 39 C 1
   ATOM 653 O . SER A 39 ? -8.89634 4.28290 14.67461 1.000 26.28027 O ? A ? 39 O 1
   ATOM 654 CB . SER A 39 ? -6.17756 4.69891 13.29618 1.000 17.39210 C ? A ? 39 CB 1
   ATOM 655 OG . SER A 39 ? -6.09634 3.51211 12.52900 1.000 15.61394 O ? A ? 39 OG 1
   ATOM 656 H . SER A 39 ? -4.87090 3.20752 14.77549 1.000 17.89102 H ? A ? 39 H 1
   ATOM 657 HA . SER A 39 ? -6.56283 5.16156 15.24879 1.000 22.85104 H ? A ? 39 HA 1
   ATOM 658 HB2 . SER A 39 ? -6.87805 5.26687 12.93891 1.000 20.90740 H ? A ? 39 HB2 1
   ATOM 659 HB3 . SER A 39 ? -5.32613 5.16255 13.26459 1.000 20.90740 H ? A ? 39 HB3 1
   ATOM 660 HG . SER A 39 ? -6.03221 3.70127 11.71309 1.000 18.77361 H ? A ? 39 HG 1
   ATOM 661 N . ARG A 40 ? -7.83788 2.29544 14.86247 1.000 21.74011 N ? A ? 40 N 1
   ATOM 662 CA . ARG A 40 ? -9.09234 1.55529 14.94888 1.000 19.57782 C ? A ? 40 CA 1
   ATOM 663 C . ARG A 40 ? -9.83903 1.90870 16.22473 1.000 24.00629 C ? A ? 40 C 1
   ATOM 664 O . ARG A 40 ? -11.06850 2.02077 16.22342 1.000 24.21777 O ? A ? 40 O 1
   ATOM 665 CB . ARG A 40 ? -8.81953 0.05494 14.86816 1.000 25.22614 C ? A ? 40 CB 1
   ATOM 666 CG . ARG A 40 ? -8.20536 -0.37278 13.53698 1.000 24.03698 C ? A ? 40 CG 1
   ATOM 667 CD . ARG A 40 ? -8.06776 -1.90529 13.45463 1.000 33.99891 C ? A ? 40 CD 1
   ATOM 668 NE . ARG A 40 ? -7.46945 -2.34592 12.19583 1.000 25.14148 N ? A ? 40 NE 1
   ATOM 669 CZ . ARG A 40 ? -8.14667 -2.55951 11.07625 1.000 31.36942 C ? A ? 40 CZ 1
   ATOM 670 NH1 . ARG A 40 ? -9.47248 -2.54635 11.05748 1.000 31.88098 N ? A ? 40 NH1 1
   ATOM 671 NH2 . ARG A 40 ? -7.47921 -2.81232 9.94841 1.000 24.79433 N ? A ? 40 NH2 1
   ATOM 672 H . ARG A 40 ? -7.12989 1.80745 14.87706 1.000 26.12501 H ? A ? 40 H 1
   ATOM 673 HA . ARG A 40 ? -9.65765 1.79051 14.19655 1.000 23.53027 H ? A ? 40 HA 1
   ATOM 674 HB2 . ARG A 40 ? -8.20190 -0.19051 15.57470 1.000 30.30825 H ? A ? 40 HB2 1
   ATOM 675 HB3 . ARG A 40 ? -9.65645 -0.42291 14.97828 1.000 30.30825 H ? A ? 40 HB3 1
   ATOM 676 HG2 . ARG A 40 ? -8.77437 -0.07683 12.80929 1.000 28.88126 H ? A ? 40 HG2 1
   ATOM 677 HG3 . ARG A 40 ? -7.32252 0.01919 13.44829 1.000 28.88126 H ? A ? 40 HG3 1
   ATOM 678 HD2 . ARG A 40 ? -7.50230 -2.21259 14.18039 1.000 40.83558 H ? A ? 40 HD2 1
   ATOM 679 HD3 . ARG A 40 ? -8.94763 -2.30723 13.52656 1.000 40.83558 H ? A ? 40 HD3 1
   ATOM 680 HE . ARG A 40 ? -6.61942 -2.47557 12.18040 1.000 30.20666 H ? A ? 40 HE 1
   ATOM 681 HH11 . ARG A 40 ? -9.91131 -2.39698 11.78185 1.000 38.29406 H ? A ? 40 HH11 1
   ATOM 682 HH12 . ARG A 40 ? -9.89352 -2.68717 10.32094 1.000 38.29406 H ? A ? 40 HH12 1
   ATOM 683 HH21 . ARG A 40 ? -6.61953 -2.83524 9.95345 1.000 29.79007 H ? A ? 40 HH21 1
   ATOM 684 HH22 . ARG A 40 ? -7.90881 -2.95228 9.21667 1.000 29.79007 H ? A ? 40 HH22 1
   ATOM 685 N . ASP A 41 ? -9.11716 2.10624 17.32357 1.000 22.37574 N ? A ? 41 N 1
   ATOM 686 CA . ASP A 41 ? -9.79675 2.43785 18.57018 1.000 30.32783 C ? A ? 41 CA 1
   ATOM 687 C . ASP A 41 ? -10.48499 3.79698 18.53337 1.000 29.99333 C ? A ? 41 C 1
   ATOM 688 O . ASP A 41 ? -11.36023 4.05220 19.36827 1.000 27.91118 O ? A ? 41 O 1
   ATOM 689 CB . ASP A 41 ? -8.81355 2.39899 19.73718 1.000 29.04724 C ? A ? 41 CB 1
   ATOM 690 CG . ASP A 41 ? -8.37811 0.99665 20.06899 1.000 44.12476 C ? A ? 41 CG 1
   ATOM 691 OD1 . ASP A 41 ? -9.05701 0.05009 19.59137 1.000 35.39559 O ? A ? 41 OD1 1
   ATOM 692 OD2 . ASP A 41 ? -7.36450 0.84704 20.78848 1.000 49.60712 O ? A ? 41 OD2 1
   ATOM 693 H . ASP A 41 ? -8.26003 2.05584 17.37242 1.000 26.88777 H ? A ? 41 H 1
   ATOM 694 HA . ASP A 41 ? -10.47923 1.76553 18.72217 1.000 36.43027 H ? A ? 41 HA 1
   ATOM 695 HB2 . ASP A 41 ? -8.02454 2.91352 19.50562 1.000 34.89357 H ? A ? 41 HB2 1
   ATOM 696 HB3 . ASP A 41 ? -9.23764 2.77759 20.52313 1.000 34.89357 H ? A ? 41 HB3 1
   ATOM 697 N . ARG A 42 ? -10.11211 4.68908 17.61815 1.000 25.73835 N ? A ? 42 N 1
   ATOM 698 CA . ARG A 42 ? -10.78807 5.97709 17.52797 1.000 42.80565 C ? A ? 42 CA 1
   ATOM 699 C . ARG A 42 ? -11.73847 6.07025 16.34307 1.000 33.23307 C ? A ? 42 C 1
   ATOM 700 O . ARG A 42 ? -12.33331 7.13048 16.12058 1.000 34.81143 O ? A ? 42 O 1
   ATOM 701 CB . ARG A 42 ? -9.76895 7.11981 17.48552 1.000 44.61093 C ? A ? 42 CB 1
   ATOM 702 CG . ARG A 42 ? -8.65380 6.96286 16.49496 1.000 42.02173 C ? A ? 42 CG 1
   ATOM 703 CD . ARG A 42 ? -7.67268 8.15075 16.61971 1.000 45.54243 C ? A ? 42 CD 1
   ATOM 704 NE . ARG A 42 ? -6.41778 7.91767 15.91648 1.000 30.94238 N ? A ? 42 NE 1
   ATOM 705 CZ . ARG A 42 ? -5.32175 7.44508 16.47107 1.000 31.72184 C ? A ? 42 CZ 1
   ATOM 706 NH1 . ARG A 42 ? -5.27271 7.19457 17.77173 1.000 23.64998 N ? A ? 42 NH1 1
   ATOM 707 NH2 . ARG A 42 ? -4.24874 7.23201 15.71497 1.000 34.65552 N ? A ? 42 NH2 1
   ATOM 708 H . ARG A 42 ? -9.47946 4.57125 17.04765 1.000 30.92290 H ? A ? 42 H 1
   ATOM 709 HA . ARG A 42 ? -11.31761 6.10033 18.33128 1.000 51.40366 H ? A ? 42 HA 1
   ATOM 710 HB2 . ARG A 42 ? -10.23913 7.93820 17.26176 1.000 53.57000 H ? A ? 42 HB2 1
   ATOM 711 HB3 . ARG A 42 ? -9.36445 7.19906 18.36358 1.000 53.57000 H ? A ? 42 HB3 1
   ATOM 712 HG2 . ARG A 42 ? -8.17165 6.13995 16.67172 1.000 50.46296 H ? A ? 42 HG2 1
   ATOM 713 HG3 . ARG A 42 ? -9.01450 6.94920 15.59463 1.000 50.46296 H ? A ? 42 HG3 1
   ATOM 714 HD2 . ARG A 42 ? -8.08545 8.94346 16.24270 1.000 54.68779 H ? A ? 42 HD2 1
   ATOM 715 HD3 . ARG A 42 ? -7.46918 8.29646 17.55686 1.000 54.68779 H ? A ? 42 HD3 1
   ATOM 716 HE . ARG A 42 ? -6.39143 8.10261 15.07701 1.000 37.16774 H ? A ? 42 HE 1
   ATOM 717 HH11 . ARG A 42 ? -5.96251 7.34074 18.26409 1.000 28.41686 H ? A ? 42 HH11 1
   ATOM 718 HH12 . ARG A 42 ? -4.55111 6.88586 18.12327 1.000 28.41686 H ? A ? 42 HH12 1
   ATOM 719 HH21 . ARG A 42 ? -4.27553 7.40283 14.87253 1.000 41.62350 H ? A ? 42 HH21 1
   ATOM 720 HH22 . ARG A 42 ? -3.52803 6.92340 16.06843 1.000 41.62350 H ? A ? 42 HH22 1
   ATOM 721 N . ASN A 43 ? -11.91145 4.99098 15.58834 1.000 31.80755 N ? A ? 43 N 1
   ATOM 722 CA . ASN A 43 ? -12.99306 4.89769 14.61807 1.000 30.67068 C ? A ? 43 CA 1
   ATOM 723 C . ASN A 43 ? -12.89520 5.97237 13.53722 1.000 45.30301 C ? A ? 43 C 1
   ATOM 724 O . ASN A 43 ? -13.91190 6.41879 12.99412 1.000 40.93112 O ? A ? 43 O 1
   ATOM 725 CB . ASN A 43 ? -14.35524 4.95368 15.31313 1.000 49.05454 C ? A ? 43 CB 1
   ATOM 726 CG . ASN A 43 ? -14.47122 3.94633 16.45982 1.000 35.55072 C ? A ? 43 CG 1
   ATOM 727 OD1 . ASN A 43 ? -14.40073 2.73195 16.24155 1.000 39.65401 O ? A ? 43 OD1 1
   ATOM 728 ND2 . ASN A 43 ? -14.65050 4.44963 17.68728 1.000 33.27744 N ? A ? 43 ND2 1
   ATOM 729 H . ASN A 43 ? -11.40977 4.29323 15.62096 1.000 38.20594 H ? A ? 43 H 1
   ATOM 730 HA . ASN A 43 ? -12.91851 4.04253 14.16635 1.000 36.84170 H ? A ? 43 HA 1
   ATOM 731 HB2 . ASN A 43 ? -14.48811 5.84225 15.67877 1.000 58.90233 H ? A ? 43 HB2 1
   ATOM 732 HB3 . ASN A 43 ? -15.04964 4.75398 14.66596 1.000 58.90233 H ? A ? 43 HB3 1
   ATOM 733 HD21 . ASN A 43 ? -14.72106 3.92164 18.36244 1.000 39.96981 H ? A ? 43 HD21 1
   ATOM 734 HD22 . ASN A 43 ? -14.69511 5.30096 17.80066 1.000 39.96981 H ? A ? 43 HD22 1
   ATOM 735 N . LYS A 44 ? -11.66782 6.37035 13.19150 1.000 44.21856 N ? A ? 44 N 1
   ATOM 736 CA . LYS A 44 ? -11.45126 7.20609 12.02909 1.000 42.06885 C ? A ? 44 CA 1
   ATOM 737 C . LYS A 44 ? -10.10085 6.83456 11.40438 1.000 21.88931 C ? A ? 44 C 1
   ATOM 738 O . LYS A 44 ? -9.08341 6.79379 12.11061 1.000 24.16834 O ? A ? 44 O 1
   ATOM 739 CB . LYS A 44 ? -11.51033 8.68395 12.39229 1.000 42.48420 C ? A ? 44 CB 1
   ATOM 740 CG . LYS A 44 ? -10.57105 9.09948 13.48072 1.000 49.55926 C ? A ? 44 CG 1
   ATOM 741 CD . LYS A 44 ? -9.59166 10.03907 12.82712 1.000 56.65795 C ? A ? 44 CD 1
   ATOM 742 CE . LYS A 44 ? -8.87154 10.92937 13.85883 1.000 38.67569 C ? A ? 44 CE 1
   ATOM 743 NZ . LYS A 44 ? -7.83377 11.74231 13.16761 1.000 44.86968 N ? A ? 44 NZ 1
   ATOM 744 H . LYS A 44 ? -10.95102 6.16469 13.61988 1.000 53.09915 H ? A ? 44 H 1
   ATOM 745 HA . LYS A 44 ? -12.14073 7.02714 11.37067 1.000 50.51950 H ? A ? 44 HA 1
   ATOM 746 HB2 . LYS A 44 ? -11.29125 9.20397 11.60332 1.000 51.01792 H ? A ? 44 HB2 1
   ATOM 747 HB3 . LYS A 44 ? -12.41031 8.89270 12.68786 1.000 51.01792 H ? A ? 44 HB3 1
   ATOM 748 HG2 . LYS A 44 ? -11.04742 9.55983 14.18927 1.000 59.50800 H ? A ? 44 HG2 1
   ATOM 749 HG3 . LYS A 44 ? -10.10105 8.33148 13.84153 1.000 59.50800 H ? A ? 44 HG3 1
   ATOM 750 HD2 . LYS A 44 ? -8.92165 9.52282 12.35229 1.000 68.02642 H ? A ? 44 HD2 1
   ATOM 751 HD3 . LYS A 44 ? -10.06631 10.61570 12.20817 1.000 68.02642 H ? A ? 44 HD3 1
   ATOM 752 HE2 . LYS A 44 ? -9.50899 11.52645 14.28078 1.000 46.44771 H ? A ? 44 HE2 1
   ATOM 753 HE3 . LYS A 44 ? -8.44185 10.37541 14.52920 1.000 46.44771 H ? A ? 44 HE3 1
   ATOM 754 HZ1 . LYS A 44 ? -7.34857 12.18864 13.76549 1.000 53.88049 H ? A ? 44 HZ1 1
   ATOM 755 HZ2 . LYS A 44 ? -7.29576 11.21240 12.69663 1.000 53.88049 H ? A ? 44 HZ2 1
   ATOM 756 HZ3 . LYS A 44 ? -8.22033 12.32464 12.61664 1.000 53.88049 H ? A ? 44 HZ3 1
   ATOM 757 N . PRO A 45 ? -10.07921 6.49440 10.12511 1.000 24.07022 N ? A ? 45 N 1
   ATOM 758 CA . PRO A 45 ? -8.80793 6.07528 9.51369 1.000 18.17019 C ? A ? 45 CA 1
   ATOM 759 C . PRO A 45 ? -7.77129 7.18802 9.48381 1.000 19.60422 C ? A ? 45 C 1
   ATOM 760 O . PRO A 45 ? -8.08605 8.38048 9.49030 1.000 15.39746 O ? A ? 45 O 1
   ATOM 761 CB . PRO A 45 ? -9.21414 5.66082 8.09602 1.000 21.13831 C ? A ? 45 CB 1
   ATOM 762 CG . PRO A 45 ? -10.65438 5.30201 8.20815 1.000 22.41261 C ? A ? 45 CG 1
   ATOM 763 CD . PRO A 45 ? -11.21675 6.27819 9.21397 1.000 34.45493 C ? A ? 45 CD 1
   ATOM 764 HA . PRO A 45 ? -8.44278 5.31611 9.99455 1.000 21.84111 H ? A ? 45 HA 1
   ATOM 765 HB2 . PRO A 45 ? -9.08630 6.40250 7.48408 1.000 25.40285 H ? A ? 45 HB2 1
   ATOM 766 HB3 . PRO A 45 ? -8.68647 4.89918 7.80903 1.000 25.40285 H ? A ? 45 HB3 1
   ATOM 767 HG2 . PRO A 45 ? -11.08897 5.40155 7.34668 1.000 26.93201 H ? A ? 45 HG2 1
   ATOM 768 HG3 . PRO A 45 ? -10.74514 4.38867 8.52196 1.000 26.93201 H ? A ? 45 HG3 1
   ATOM 769 HD2 . PRO A 45 ? -11.48034 7.10691 8.78426 1.000 41.38279 H ? A ? 45 HD2 1
   ATOM 770 HD3 . PRO A 45 ? -11.97220 5.89437 9.68606 1.000 41.38279 H ? A ? 45 HD3 1
   ATOM 771 N . PHE A 46 ? -6.51417 6.75522 9.43953 1.000 15.67608 N ? A ? 46 N 1
   ATOM 772 CA . PHE A 46 ? -5.34736 7.62304 9.35267 1.000 13.48238 C ? A ? 46 CA 1
   ATOM 773 C . PHE A 46 ? -5.02724 7.88783 7.89613 1.000 17.56409 C ? A ? 46 C 1
   ATOM 774 O . PHE A 46 ? -5.10006 6.98130 7.06356 1.000 15.26640 O ? A ? 46 O 1
   ATOM 775 CB . PHE A 46 ? -4.14830 6.95538 10.04178 1.000 11.26586 C ? A ? 46 CB 1
   ATOM 776 CG . PHE A 46 ? -2.87138 7.76807 9.99976 1.000 9.56321 C ? A ? 46 CG 1
   ATOM 777 CD1 . PHE A 46 ? -2.65705 8.82106 10.87109 1.000 14.14326 C ? A ? 46 CD1 1
   ATOM 778 CD2 . PHE A 46 ? -1.85827 7.43346 9.11406 1.000 10.77573 C ? A ? 46 CD2 1
   ATOM 779 CE1 . PHE A 46 ? -1.45698 9.55998 10.81507 1.000 13.01744 C ? A ? 46 CE1 1
   ATOM 780 CE2 . PHE A 46 ? -0.67207 8.16113 9.06299 1.000 11.59791 C ? A ? 46 CE2 1
   ATOM 781 CZ . PHE A 46 ? -0.47848 9.21768 9.91074 1.000 10.86935 C ? A ? 46 CZ 1
   ATOM 782 H . PHE A 46 ? -6.30202 5.92203 9.45945 1.000 18.84818 H ? A ? 46 H 1
   ATOM 783 HA . PHE A 46 ? -5.52027 8.47045 9.79187 1.000 16.21574 H ? A ? 46 HA 1
   ATOM 784 HB2 . PHE A 46 ? -4.37071 6.80634 10.97410 1.000 13.55591 H ? A ? 46 HB2 1
   ATOM 785 HB3 . PHE A 46 ? -3.97159 6.10835 9.60336 1.000 13.55591 H ? A ? 46 HB3 1
   ATOM 786 HD1 . PHE A 46 ? -3.30790 9.04293 11.49726 1.000 17.00879 H ? A ? 46 HD1 1
   ATOM 787 HD2 . PHE A 46 ? -1.97328 6.70866 8.54280 1.000 12.96775 H ? A ? 46 HD2 1
   ATOM 788 HE1 . PHE A 46 ? -1.32706 10.27930 11.39004 1.000 15.65780 H ? A ? 46 HE1 1
   ATOM 789 HE2 . PHE A 46 ? -0.01062 7.92874 8.45195 1.000 13.95437 H ? A ? 46 HE2 1
   ATOM 790 HZ . PHE A 46 ? 0.31361 9.70373 9.87558 1.000 13.08011 H ? A ? 46 HZ 1
   ATOM 791 N . LYS A 47 ? -4.66266 9.13481 7.59311 1.000 14.06574 N ? A ? 47 N 1
   ATOM 792 CA . LYS A 47 ? -4.29161 9.55204 6.24988 1.000 12.19075 C ? A ? 47 CA 1
   ATOM 793 C . LYS A 47 ? -2.90994 10.18719 6.25648 1.000 13.96343 C ? A ? 47 C 1
   ATOM 794 O . LYS A 47 ? -2.54698 10.90861 7.19360 1.000 16.82916 O ? A ? 47 O 1
   ATOM 795 CB . LYS A 47 ? -5.29329 10.54395 5.68870 1.000 15.35002 C ? A ? 47 CB 1
   ATOM 796 CG . LYS A 47 ? -6.70377 10.02200 5.66091 1.000 14.97562 C ? A ? 47 CG 1
   ATOM 797 CD . LYS A 47 ? -7.61283 10.99682 4.93498 1.000 28.06712 C ? A ? 47 CD 1
   ATOM 798 CE . LYS A 47 ? -9.06889 10.59637 5.06783 1.000 28.08133 C ? A ? 47 CE 1
   ATOM 799 NZ . LYS A 47 ? -9.93884 11.60192 4.38152 1.000 29.90865 N ? A ? 47 NZ 1
   ATOM 800 H . LYS A 47 ? -4.62285 9.77228 8.16900 1.000 16.91577 H ? A ? 47 H 1
   ATOM 801 HA . LYS A 47 ? -4.26208 8.77061 5.67595 1.000 14.66578 H ? A ? 47 HA 1
   ATOM 802 HB2 . LYS A 47 ? -5.28304 11.34339 6.23796 1.000 18.45691 H ? A ? 47 HB2 1
   ATOM 803 HB3 . LYS A 47 ? -5.03969 10.76347 4.77854 1.000 18.45691 H ? A ? 47 HB3 1
   ATOM 804 HG2 . LYS A 47 ? -6.72716 9.17131 5.19541 1.000 18.00763 H ? A ? 47 HG2 1
   ATOM 805 HG3 . LYS A 47 ? -7.02855 9.91266 6.56836 1.000 18.00763 H ? A ? 47 HG3 1
   ATOM 806 HD2 . LYS A 47 ? -7.50367 11.88270 5.31474 1.000 33.71742 H ? A ? 47 HD2 1
   ATOM 807 HD3 . LYS A 47 ? -7.38415 11.00944 3.99241 1.000 33.71742 H ? A ? 47 HD3 1
   ATOM 808 HE2 . LYS A 47 ? -9.20881 9.72981 4.65503 1.000 33.73447 H ? A ? 47 HE2 1
   ATOM 809 HE3 . LYS A 47 ? -9.31406 10.56058 6.00565 1.000 33.73447 H ? A ? 47 HE3 1
   ATOM 810 HZ1 . LYS A 47 ? -10.30085 12.15097 4.98119 1.000 35.92727 H ? A ? 47 HZ1 1
   ATOM 811 HZ2 . LYS A 47 ? -9.45622 12.07996 3.80650 1.000 35.92727 H ? A ? 47 HZ2 1
   ATOM 812 HZ3 . LYS A 47 ? -10.59039 11.18851 3.93804 1.000 35.92727 H ? A ? 47 HZ3 1
   ATOM 813 N . PHE A 48 ? -2.14285 9.90423 5.20637 1.000 13.71321 N ? A ? 48 N 1
   ATOM 814 CA . PHE A 48 ? -0.90088 10.61483 4.94968 1.000 14.90320 C ? A ? 48 CA 1
   ATOM 815 C . PHE A 48 ? -0.64785 10.61167 3.45234 1.000 13.88830 C ? A ? 48 C 1
   ATOM 816 O . PHE A 48 ? -1.15988 9.76236 2.72544 1.000 14.07818 O ? A ? 48 O 1
   ATOM 817 CB . PHE A 48 ? 0.28485 9.99182 5.68450 1.000 11.17489 C ? A ? 48 CB 1
   ATOM 818 CG . PHE A 48 ? 0.75158 8.69630 5.09852 1.000 10.94717 C ? A ? 48 CG 1
   ATOM 819 CD1 . PHE A 48 ? 0.03910 7.53409 5.30638 1.000 12.66799 C ? A ? 48 CD1 1
   ATOM 820 CD2 . PHE A 48 ? 1.92115 8.63135 4.36183 1.000 12.18147 C ? A ? 48 CD2 1
   ATOM 821 CE1 . PHE A 48 ? 0.47266 6.32266 4.77195 1.000 13.55237 C ? A ? 48 CE1 1
   ATOM 822 CE2 . PHE A 48 ? 2.32559 7.44706 3.79989 1.000 15.30633 C ? A ? 48 CE2 1
   ATOM 823 CZ . PHE A 48 ? 1.62078 6.27509 4.05866 1.000 14.91053 C ? A ? 48 CZ 1
   ATOM 824 H . PHE A 48 ? -2.32451 9.29823 4.62382 1.000 16.49273 H ? A ? 48 H 1
   ATOM 825 HA . PHE A 48 ? -0.99050 11.53116 5.25499 1.000 17.92072 H ? A ? 48 HA 1
   ATOM 826 HB2 . PHE A 48 ? 1.02914 10.61325 5.65684 1.000 13.44675 H ? A ? 48 HB2 1
   ATOM 827 HB3 . PHE A 48 ? 0.02707 9.82367 6.60438 1.000 13.44675 H ? A ? 48 HB3 1
   ATOM 828 HD1 . PHE A 48 ? -0.74200 7.55928 5.81051 1.000 15.23847 H ? A ? 48 HD1 1
   ATOM 829 HD2 . PHE A 48 ? 2.43703 9.39654 4.24678 1.000 14.65464 H ? A ? 48 HD2 1
   ATOM 830 HE1 . PHE A 48 ? -0.02594 5.54902 4.90529 1.000 16.29973 H ? A ? 48 HE1 1
   ATOM 831 HE2 . PHE A 48 ? 3.07181 7.42725 3.24522 1.000 18.40448 H ? A ? 48 HE2 1
   ATOM 832 HZ . PHE A 48 ? 1.93877 5.46067 3.74163 1.000 17.92952 H ? A ? 48 HZ 1
   ATOM 833 N . MET A 49 ? 0.15625 11.56479 2.99714 1.000 16.07598 N ? A ? 49 N 1
   ATOM 834 CA . MET A 49 ? 0.51643 11.66903 1.58870 1.000 12.29323 C ? A ? 49 CA 1
   ATOM 835 C . MET A 49 ? 1.85575 10.97982 1.36812 1.000 15.35514 C ? A ? 49 C 1
   ATOM 836 O . MET A 49 ? 2.85393 11.32416 2.01515 1.000 15.80929 O ? A ? 49 O 1
   ATOM 837 H . MET A 49 ? 0.51105 12.17182 3.49236 1.000 19.32805 H ? A ? 49 H 1
   ATOM 838 HA . MET A 49 ? -0.16459 11.22753 1.05748 1.000 14.78876 H ? A ? 49 HA 1
   ATOM 839 CB A MET A 49 ? 0.59034 13.12913 1.14187 0.191 20.54403 C ? A ? 49 CB 1
   ATOM 840 CG A MET A 49 ? -0.71563 13.89297 1.27592 0.191 18.99774 C ? A ? 49 CG 1
   ATOM 841 SD A MET A 49 ? -0.67867 15.46189 0.37459 0.191 18.77812 S ? A ? 49 SD 1
   ATOM 842 CE A MET A 49 ? 0.62119 16.32852 1.24990 0.191 25.07651 C ? A ? 49 CE 1
   ATOM 843 HB2 A MET A 49 ? 1.25381 13.58503 1.68304 0.191 24.68972 H ? A ? 49 HB2 1
   ATOM 844 HB3 A MET A 49 ? 0.85025 13.15395 0.20767 0.191 24.68972 H ? A ? 49 HB3 1
   ATOM 845 HG2 A MET A 49 ? -1.43843 13.35439 0.91761 0.191 22.83417 H ? A ? 49 HG2 1
   ATOM 846 HG3 A MET A 49 ? -0.87804 14.08522 2.21271 0.191 22.83417 H ? A ? 49 HG3 1
   ATOM 847 HE1 A MET A 49 ? 1.05784 16.94286 0.63931 0.191 30.12869 H ? A ? 49 HE1 1
   ATOM 848 HE2 A MET A 49 ? 0.23076 16.81926 1.98993 0.191 30.12869 H ? A ? 49 HE2 1
   ATOM 849 HE3 A MET A 49 ? 1.26267 15.68192 1.58356 0.191 30.12869 H ? A ? 49 HE3 1
   ATOM 850 CB B MET A 49 ? 0.58510 13.13208 1.13924 0.809 20.59120 C ? A ? 49 CB 1
   ATOM 851 CG B MET A 49 ? 0.67608 13.30720 -0.36469 0.809 21.76152 C ? A ? 49 CG 1
   ATOM 852 SD B MET A 49 ? 0.37823 15.02150 -0.91290 0.809 25.08868 S ? A ? 49 SD 1
   ATOM 853 CE B MET A 49 ? -1.36295 15.16050 -0.54094 0.809 22.76516 C ? A ? 49 CE 1
   ATOM 854 HB2 B MET A 49 ? -0.21498 13.58905 1.44248 0.809 24.74632 H ? A ? 49 HB2 1
   ATOM 855 HB3 B MET A 49 ? 1.37091 13.54241 1.53298 0.809 24.74632 H ? A ? 49 HB3 1
   ATOM 856 HG2 B MET A 49 ? 1.56497 13.05169 -0.65707 0.809 26.15071 H ? A ? 49 HG2 1
   ATOM 857 HG3 B MET A 49 ? 0.01208 12.74026 -0.78728 0.809 26.15071 H ? A ? 49 HG3 1
   ATOM 858 HE1 B MET A 49 ? -1.70678 15.97561 -0.93878 0.809 27.35507 H ? A ? 49 HE1 1
   ATOM 859 HE2 B MET A 49 ? -1.82672 14.39188 -0.90841 0.809 27.35507 H ? A ? 49 HE2 1
   ATOM 860 HE3 B MET A 49 ? -1.47904 15.18776 0.42171 0.809 27.35507 H ? A ? 49 HE3 1
   ATOM 861 N . LEU A 50 ? 1.86318 10.00027 0.46889 1.000 16.25217 N ? A ? 50 N 1
   ATOM 862 CA . LEU A 50 ? 3.06774 9.22149 0.21216 1.000 21.50997 C ? A ? 50 CA 1
   ATOM 863 C . LEU A 50 ? 4.11736 10.08400 -0.46424 1.000 18.84498 C ? A ? 50 C 1
   ATOM 864 O . LEU A 50 ? 3.81976 10.84928 -1.37884 1.000 24.99504 O ? A ? 50 O 1
   ATOM 865 CB . LEU A 50 ? 2.76014 8.01634 -0.67958 1.000 25.54996 C ? A ? 50 CB 1
   ATOM 866 CG . LEU A 50 ? 3.86144 6.95542 -0.76256 1.000 16.78508 C ? A ? 50 CG 1
   ATOM 867 CD1 . LEU A 50 ? 3.97759 6.16437 0.52620 1.000 19.23465 C ? A ? 50 CD1 1
   ATOM 868 CD2 . LEU A 50 ? 3.56430 6.01198 -1.96196 1.000 21.83231 C ? A ? 50 CD2 1
   ATOM 869 H . LEU A 50 ? 1.18445 9.76732 -0.00510 1.000 19.53949 H ? A ? 50 H 1
   ATOM 870 HA . LEU A 50 ? 3.41500 8.89561 1.05721 1.000 25.84884 H ? A ? 50 HA 1
   ATOM 871 HB2 . LEU A 50 ? 1.96425 7.58024 -0.33713 1.000 30.69683 H ? A ? 50 HB2 1
   ATOM 872 HB3 . LEU A 50 ? 2.60052 8.33799 -1.58067 1.000 30.69683 H ? A ? 50 HB3 1
   ATOM 873 HG . LEU A 50 ? 4.71721 7.39157 -0.89790 1.000 20.17898 H ? A ? 50 HG 1
   ATOM 874 HD11 . LEU A 50 ? 4.65424 5.47820 0.41567 1.000 23.11846 H ? A ? 50 HD11 1
   ATOM 875 HD12 . LEU A 50 ? 4.23043 6.76566 1.24413 1.000 23.11846 H ? A ? 50 HD12 1
   ATOM 876 HD13 . LEU A 50 ? 3.12066 5.75509 0.72385 1.000 23.11846 H ? A ? 50 HD13 1
   ATOM 877 HD21 . LEU A 50 ? 4.31944 5.41683 -2.09024 1.000 26.23565 H ? A ? 50 HD21 1
   ATOM 878 HD22 . LEU A 50 ? 2.76597 5.49631 -1.76789 1.000 26.23565 H ? A ? 50 HD22 1
   ATOM 879 HD23 . LEU A 50 ? 3.42640 6.54785 -2.75865 1.000 26.23565 H ? A ? 50 HD23 1
   ATOM 880 N . GLY A 51 ? 5.35732 9.94001 -0.02415 1.000 22.65939 N ? A ? 51 N 1
   ATOM 881 CA . GLY A 51 ? 6.46341 10.60325 -0.67361 1.000 24.82935 C ? A ? 51 CA 1
   ATOM 882 C . GLY A 51 ? 6.78067 11.99826 -0.19139 1.000 28.21479 C ? A ? 51 C 1
   ATOM 883 O . GLY A 51 ? 7.61359 12.67104 -0.80982 1.000 40.59148 O ? A ? 51 O 1
   ATOM 884 H . GLY A 51 ? 5.58082 9.45965 0.65328 1.000 27.22815 H ? A ? 51 H 1
   ATOM 885 HA2 . GLY A 51 ? 7.25975 10.06425 -0.54621 1.000 29.83210 H ? A ? 51 HA2 1
   ATOM 886 HA3 . GLY A 51 ? 6.26985 10.66136 -1.62232 1.000 29.83210 H ? A ? 51 HA3 1
   ATOM 887 N . LYS A 52 ? 6.15415 12.46209 0.88850 1.000 18.16391 N ? A ? 52 N 1
   ATOM 888 CA . LYS A 52 ? 6.39464 13.80325 1.39397 1.000 18.98436 C ? A ? 52 CA 1
   ATOM 889 C . LYS A 52 ? 7.04222 13.77831 2.77476 1.000 17.43843 C ? A ? 52 C 1
   ATOM 890 O . LYS A 52 ? 6.98116 14.76922 3.50718 1.000 20.53206 O ? A ? 52 O 1
   ATOM 891 CB . LYS A 52 ? 5.08703 14.59118 1.40222 1.000 28.44690 C ? A ? 52 CB 1
   ATOM 892 CG . LYS A 52 ? 4.69867 15.06692 0.00140 1.000 34.84773 C ? A ? 52 CG 1
   ATOM 893 CD . LYS A 52 ? 3.30338 15.62407 -0.03203 1.000 43.43950 C ? A ? 52 CD 1
   ATOM 894 CE . LYS A 52 ? 3.15520 16.87311 0.83073 1.000 48.69080 C ? A ? 52 CE 1
   ATOM 895 NZ . LYS A 52 ? 1.70872 17.23540 1.04225 1.000 45.25105 N ? A ? 52 NZ 1
   ATOM 896 H . LYS A 52 ? 5.58168 12.01207 1.34607 1.000 21.83358 H ? A ? 52 H 1
   ATOM 897 HA . LYS A 52 ? 7.01158 14.26725 0.80660 1.000 22.81811 H ? A ? 52 HA 1
   ATOM 898 HB2 . LYS A 52 ? 4.37537 14.02459 1.73901 1.000 34.17316 H ? A ? 52 HB2 1
   ATOM 899 HB3 . LYS A 52 ? 5.18785 15.37052 1.97086 1.000 34.17316 H ? A ? 52 HB3 1
   ATOM 900 HG2 . LYS A 52 ? 5.31087 15.76430 -0.28103 1.000 41.85416 H ? A ? 52 HG2 1
   ATOM 901 HG3 . LYS A 52 ? 4.74153 14.31853 -0.61420 1.000 41.85416 H ? A ? 52 HG3 1
   ATOM 902 HD2 . LYS A 52 ? 3.07734 15.86046 -0.94522 1.000 52.16428 H ? A ? 52 HD2 1
   ATOM 903 HD3 . LYS A 52 ? 2.68553 14.95397 0.29984 1.000 52.16428 H ? A ? 52 HD3 1
   ATOM 904 HE2 . LYS A 52 ? 3.55868 16.71300 1.69818 1.000 58.46584 H ? A ? 52 HE2 1
   ATOM 905 HE3 . LYS A 52 ? 3.59470 17.61884 0.39296 1.000 58.46584 H ? A ? 52 HE3 1
   ATOM 906 HZ1 . LYS A 52 ? 1.64777 17.95399 1.56628 1.000 54.33814 H ? A ? 52 HZ1 1
   ATOM 907 N . GLN A 53 ? 7.65529 12.65450 3.14560 1.000 16.95410 N ? A ? 53 N 1
   ATOM 908 CA . GLN A 53 ? 8.35254 12.54659 4.42053 1.000 17.36206 C ? A ? 53 CA 1
   ATOM 909 C . GLN A 53 ? 7.43640 12.90031 5.58488 1.000 13.36074 C ? A ? 53 C 1
   ATOM 910 O . GLN A 53 ? 7.87457 13.42223 6.60754 1.000 15.22714 O ? A ? 53 O 1
   ATOM 911 CB . GLN A 53 ? 9.60538 13.42341 4.41563 1.000 20.63736 C ? A ? 53 CB 1
   ATOM 912 CG . GLN A 53 ? 10.59901 13.09192 3.27391 1.000 23.75056 C ? A ? 53 CG 1
   ATOM 913 CD . GLN A 53 ? 10.24444 13.73615 1.92871 1.000 23.44709 C ? A ? 53 CD 1
   ATOM 914 OE1 . GLN A 53 ? 9.92464 14.92643 1.84828 1.000 29.66890 O ? A ? 53 OE1 1
   ATOM 915 NE2 . GLN A 53 ? 10.33390 12.94762 0.86111 1.000 26.35861 N ? A ? 53 NE2 1
   ATOM 916 H . GLN A 53 ? 7.67992 11.93782 2.67089 1.000 20.38180 H ? A ? 53 H 1
   ATOM 917 HA . GLN A 53 ? 8.63280 11.62787 4.55585 1.000 20.87136 H ? A ? 53 HA 1
   ATOM 918 HB2 . GLN A 53 ? 9.33653 14.34982 4.31376 1.000 24.80171 H ? A ? 53 HB2 1
   ATOM 919 HB3 . GLN A 53 ? 10.07211 13.30407 5.25755 1.000 24.80171 H ? A ? 53 HB3 1
   ATOM 920 HG2 . GLN A 53 ? 11.48060 13.40700 3.52773 1.000 28.53755 H ? A ? 53 HG2 1
   ATOM 921 HG3 . GLN A 53 ? 10.61471 12.13069 3.14473 1.000 28.53755 H ? A ? 53 HG3 1
   ATOM 922 HE21 . GLN A 53 ? 10.57910 12.12823 0.95106 1.000 31.66722 H ? A ? 53 HE21 1
   ATOM 923 HE22 . GLN A 53 ? 10.14654 13.25722 0.08095 1.000 31.66722 H ? A ? 53 HE22 1
   ATOM 924 N A GLU A 54 ? 6.14519 12.63219 5.43014 0.878 14.08805 N ? A ? 54 N 1
   ATOM 925 CA A GLU A 54 ? 5.21860 12.88056 6.52234 0.878 14.16653 C ? A ? 54 CA 1
   ATOM 926 C A GLU A 54 ? 5.33686 11.83288 7.62659 0.878 13.49349 C ? A ? 54 C 1
   ATOM 927 O A GLU A 54 ? 5.06264 12.14003 8.78875 0.878 13.71503 O ? A ? 54 O 1
   ATOM 928 CB A GLU A 54 ? 3.78694 12.90723 5.99488 0.878 14.43899 C ? A ? 54 CB 1
   ATOM 929 CG A GLU A 54 ? 3.41552 14.16517 5.21844 0.878 15.92218 C ? A ? 54 CG 1
   ATOM 930 CD A GLU A 54 ? 1.95211 14.18088 4.78769 0.878 20.85553 C ? A ? 54 CD 1
   ATOM 931 OE1 A GLU A 54 ? 1.21198 13.21589 5.08673 0.878 15.60436 O ? A ? 54 OE1 1
   ATOM 932 OE2 A GLU A 54 ? 1.53177 15.18156 4.16571 0.878 21.19762 O ? A ? 54 OE2 1
   ATOM 933 H A GLU A 54 ? 5.78819 12.31220 4.71616 0.878 16.94255 H ? A ? 54 H 1
   ATOM 934 HA A GLU A 54 ? 5.42001 13.74819 6.90645 0.878 17.03672 H ? A ? 54 HA 1
   ATOM 935 HB2 A GLU A 54 ? 3.66367 12.15053 5.40066 0.878 17.36367 H ? A ? 54 HB2 1
   ATOM 936 HB3 A GLU A 54 ? 3.17995 12.83961 6.74846 0.878 17.36367 H ? A ? 54 HB3 1
   ATOM 937 HG2 A GLU A 54 ? 3.57155 14.94083 5.77961 0.878 19.14349 H ? A ? 54 HG2 1
   ATOM 938 HG3 A GLU A 54 ? 3.96396 14.21755 4.42008 0.878 19.14349 H ? A ? 54 HG3 1
   ATOM 939 N B GLU A 54 ? 6.14523 12.61141 5.44147 0.122 14.22261 N ? A ? 54 N 1
   ATOM 940 CA B GLU A 54 ? 5.20377 12.86695 6.51958 0.122 14.21851 C ? A ? 54 CA 1
   ATOM 941 C B GLU A 54 ? 5.25153 11.80078 7.60412 0.122 13.59285 C ? A ? 54 C 1
   ATOM 942 O B GLU A 54 ? 4.82737 12.06464 8.73282 0.122 13.45716 O ? A ? 54 O 1
   ATOM 943 CB B GLU A 54 ? 3.78581 12.95655 5.96083 0.122 14.48806 C ? A ? 54 CB 1
   ATOM 944 CG B GLU A 54 ? 3.57700 14.08966 4.97645 0.122 16.29035 C ? A ? 54 CG 1
   ATOM 945 CD B GLU A 54 ? 2.14855 14.17109 4.48361 0.122 19.52154 C ? A ? 54 CD 1
   ATOM 946 OE1 B GLU A 54 ? 1.27971 13.47244 5.04855 0.122 16.21527 O ? A ? 54 OE1 1
   ATOM 947 OE2 B GLU A 54 ? 1.89664 14.93737 3.53168 0.122 20.21447 O ? A ? 54 OE2 1
   ATOM 948 H B GLU A 54 ? 5.79480 12.26962 4.73438 0.122 17.10402 H ? A ? 54 H 1
   ATOM 949 HA B GLU A 54 ? 5.42345 13.71879 6.92823 0.122 17.09909 H ? A ? 54 HA 1
   ATOM 950 HB2 B GLU A 54 ? 3.58004 12.12680 5.50249 0.122 17.42255 H ? A ? 54 HB2 1
   ATOM 951 HB3 B GLU A 54 ? 3.16976 13.08988 6.69813 0.122 17.42255 H ? A ? 54 HB3 1
   ATOM 952 HG2 B GLU A 54 ? 3.79475 14.93004 5.40917 0.122 19.58530 H ? A ? 54 HG2 1
   ATOM 953 HG3 B GLU A 54 ? 4.15336 13.95291 4.20833 0.122 19.58530 H ? A ? 54 HG3 1
   ATOM 954 N . VAL A 55 ? 5.75945 10.61068 7.28896 1.000 12.10342 N ? A ? 55 N 1
   ATOM 955 CA . VAL A 55 ? 5.79584 9.49066 8.21705 1.000 10.28142 C ? A ? 55 CA 1
   ATOM 956 C . VAL A 55 ? 7.17435 8.84538 8.14709 1.000 11.41455 C ? A ? 55 C 1
   ATOM 957 O . VAL A 55 ? 7.94547 9.05655 7.21077 1.000 12.10644 O ? A ? 55 O 1
   ATOM 958 CB . VAL A 55 ? 4.70063 8.44712 7.89976 1.000 10.62578 C ? A ? 55 CB 1
   ATOM 959 CG1 . VAL A 55 ? 3.32958 9.06974 7.96913 1.000 10.30975 C ? A ? 55 CG1 1
   ATOM 960 CG2 . VAL A 55 ? 4.94333 7.84612 6.53777 1.000 13.54450 C ? A ? 55 CG2 1
   ATOM 961 HA . VAL A 55 ? 5.66087 9.81912 9.11971 1.000 12.37458 H ? A ? 55 HA 1
   ATOM 962 HB . VAL A 55 ? 4.73655 7.73962 8.56237 1.000 12.78782 H ? A ? 55 HB 1
   ATOM 963 HG11 . VAL A 55 ? 2.66269 8.38343 7.81059 1.000 12.40858 H ? A ? 55 HG11 1
   ATOM 964 HG12 . VAL A 55 ? 3.20281 9.45709 8.84935 1.000 12.40858 H ? A ? 55 HG12 1
   ATOM 965 HG13 . VAL A 55 ? 3.26153 9.76001 7.29104 1.000 12.40858 H ? A ? 55 HG13 1
   ATOM 966 HG21 . VAL A 55 ? 4.17869 7.30234 6.29174 1.000 16.29028 H ? A ? 55 HG21 1
   ATOM 967 HG22 . VAL A 55 ? 5.06153 8.56149 5.89343 1.000 16.29028 H ? A ? 55 HG22 1
   ATOM 968 HG23 . VAL A 55 ? 5.74220 7.29704 6.57268 1.000 16.29028 H ? A ? 55 HG23 1
   ATOM 969 H A VAL A 55 ? 6.03761 10.40537 6.50152 0.878 14.56098 H ? A ? 55 H 1
   ATOM 970 H B VAL A 55 ? 6.09784 10.42598 6.52021 0.122 14.56098 H ? A ? 55 H 1
   ATOM 971 N . ILE A 56 ? 7.45118 8.00047 9.14030 1.000 8.81120 N ? A ? 56 N 1
   ATOM 972 CA . ILE A 56 ? 8.73998 7.35602 9.26511 1.000 9.13807 C ? A ? 56 CA 1
   ATOM 973 C . ILE A 56 ? 9.04603 6.46727 8.06219 1.000 9.69687 C ? A ? 56 C 1
   ATOM 974 O . ILE A 56 ? 8.16420 5.99638 7.34477 1.000 8.04418 O ? A ? 56 O 1
   ATOM 975 CB . ILE A 56 ? 8.80072 6.54174 10.56190 1.000 9.11045 C ? A ? 56 CB 1
   ATOM 976 CG1 . ILE A 56 ? 7.66647 5.52591 10.61697 1.000 5.82347 C ? A ? 56 CG1 1
   ATOM 977 CG2 . ILE A 56 ? 8.78878 7.44746 11.76414 1.000 10.80368 C ? A ? 56 CG2 1
   ATOM 978 CD1 . ILE A 56 ? 7.63095 4.62339 11.86207 1.000 12.48303 C ? A ? 56 CD1 1
   ATOM 979 H . ILE A 56 ? 6.89696 7.78435 9.76137 1.000 10.61032 H ? A ? 56 H 1
   ATOM 980 HA . ILE A 56 ? 9.42152 8.04602 9.28231 1.000 11.00257 H ? A ? 56 HA 1
   ATOM 981 HB . ILE A 56 ? 9.63679 6.04999 10.57074 1.000 10.96943 H ? A ? 56 HB 1
   ATOM 982 HG12 . ILE A 56 ? 6.82548 6.00843 10.58865 1.000 7.02505 H ? A ? 56 HG12 1
   ATOM 983 HG13 . ILE A 56 ? 7.74181 4.94491 9.84388 1.000 7.02505 H ? A ? 56 HG13 1
   ATOM 984 HG21 . ILE A 56 ? 8.97316 6.92120 12.55783 1.000 13.00130 H ? A ? 56 HG21 1
   ATOM 985 HG22 . ILE A 56 ? 9.47042 8.12860 11.65316 1.000 13.00130 H ? A ? 56 HG22 1
   ATOM 986 HG23 . ILE A 56 ? 7.91525 7.86263 11.83809 1.000 13.00130 H ? A ? 56 HG23 1
   ATOM 987 HD11 . ILE A 56 ? 6.95041 3.94310 11.73969 1.000 15.01652 H ? A ? 56 HD11 1
   ATOM 988 HD12 . ILE A 56 ? 8.49935 4.20609 11.97451 1.000 15.01652 H ? A ? 56 HD12 1
   ATOM 989 HD13 . ILE A 56 ? 7.42121 5.16510 12.63890 1.000 15.01652 H ? A ? 56 HD13 1
   ATOM 990 N . ARG A 57 ? 10.33282 6.20572 7.87797 1.000 8.94062 N ? A ? 57 N 1
   ATOM 991 CA . ARG A 57 ? 10.76134 5.60709 6.62875 1.000 9.23532 C ? A ? 57 CA 1
   ATOM 992 C . ARG A 57 ? 10.16117 4.20661 6.43775 1.000 12.89507 C ? A ? 57 C 1
   ATOM 993 O . ARG A 57 ? 9.80823 3.83423 5.32178 1.000 10.97858 O ? A ? 57 O 1
   ATOM 994 CB . ARG A 57 ? 12.29396 5.62377 6.57285 1.000 9.48963 C ? A ? 57 CB 1
   ATOM 995 CG . ARG A 57 ? 12.85496 5.03598 5.29259 1.000 14.41238 C ? A ? 57 CG 1
   ATOM 996 CD . ARG A 57 ? 14.35573 4.93438 5.40025 1.000 13.49699 C ? A ? 57 CD 1
   ATOM 997 NE . ARG A 57 ? 14.98743 4.63921 4.12058 1.000 17.28233 N ? A ? 57 NE 1
   ATOM 998 CZ . ARG A 57 ? 16.30008 4.59166 3.93757 1.000 23.26898 C ? A ? 57 CZ 1
   ATOM 999 NH1 . ARG A 57 ? 17.14326 4.81803 4.93370 1.000 21.15663 N ? A ? 57 NH1 1
   ATOM 1000 NH2 . ARG A 57 ? 16.77852 4.30446 2.72972 1.000 25.77976 N ? A ? 57 NH2 1
   ATOM 1001 H . ARG A 57 ? 10.95961 6.36150 8.44584 1.000 10.76562 H ? A ? 57 H 1
   ATOM 1002 HA . ARG A 57 ? 10.44225 6.12871 5.87575 1.000 11.11926 H ? A ? 57 HA 1
   ATOM 1003 HB2 . ARG A 57 ? 12.59997 6.54191 6.63824 1.000 11.42443 H ? A ? 57 HB2 1
   ATOM 1004 HB3 . ARG A 57 ? 12.64030 5.10493 7.31565 1.000 11.42443 H ? A ? 57 HB3 1
   ATOM 1005 HG2 . ARG A 57 ? 12.49035 4.14837 5.15085 1.000 17.33174 H ? A ? 57 HG2 1
   ATOM 1006 HG3 . ARG A 57 ? 12.63291 5.60953 4.54249 1.000 17.33174 H ? A ? 57 HG3 1
   ATOM 1007 HD2 . ARG A 57 ? 14.70865 5.77849 5.72247 1.000 16.23327 H ? A ? 57 HD2 1
   ATOM 1008 HD3 . ARG A 57 ? 14.58203 4.22237 6.01890 1.000 16.23327 H ? A ? 57 HD3 1
   ATOM 1009 HE . ARG A 57 ? 14.47888 4.48682 3.44401 1.000 20.77568 H ? A ? 57 HE 1
   ATOM 1010 HH11 . ARG A 57 ? 16.84260 5.00031 5.71855 1.000 25.42484 H ? A ? 57 HH11 1
   ATOM 1011 HH12 . ARG A 57 ? 17.99136 4.78273 4.79561 1.000 25.42484 H ? A ? 57 HH12 1
   ATOM 1012 HH21 . ARG A 57 ? 16.23818 4.15214 2.07823 1.000 30.97260 H ? A ? 57 HH21 1
   ATOM 1013 HH22 . ARG A 57 ? 17.62810 4.27114 2.60050 1.000 30.97260 H ? A ? 57 HH22 1
   ATOM 1014 N . GLY A 58 ? 10.01242 3.42301 7.52495 1.000 9.80695 N ? A ? 58 N 1
   ATOM 1015 CA . GLY A 58 ? 9.43814 2.08870 7.38262 1.000 9.99884 C ? A ? 58 CA 1
   ATOM 1016 C . GLY A 58 ? 8.01630 2.14030 6.87787 1.000 9.65356 C ? A ? 58 C 1
   ATOM 1017 O . GLY A 58 ? 7.55647 1.22286 6.19070 1.000 8.25325 O ? A ? 58 O 1
   ATOM 1018 H . GLY A 58 ? 10.23169 3.64094 8.32746 1.000 11.80523 H ? A ? 58 H 1
   ATOM 1019 HA2 . GLY A 58 ? 9.96939 1.57363 6.75542 1.000 12.03549 H ? A ? 58 HA2 1
   ATOM 1020 HA3 . GLY A 58 ? 9.44367 1.64119 8.24321 1.000 12.03549 H ? A ? 58 HA3 1
   ATOM 1021 N A TRP A 59 ? 7.29282 3.18585 7.22118 1.000 10.59405 N ? A ? 59 N 1
   ATOM 1022 CA A TRP A 59 ? 5.95628 3.35744 6.67979 1.000 8.99231 C ? A ? 59 CA 1
   ATOM 1023 C A TRP A 59 ? 5.99687 3.79484 5.22801 1.000 9.63780 C ? A ? 59 C 1
   ATOM 1024 O A TRP A 59 ? 5.18426 3.34171 4.41015 1.000 12.41083 O ? A ? 59 O 1
   ATOM 1025 CB A TRP A 59 ? 5.21729 4.41097 7.49270 1.000 11.27916 C ? A ? 59 CB 1
   ATOM 1026 CG A TRP A 59 ? 4.33729 3.85663 8.58041 1.000 8.60452 C ? A ? 59 CG 1
   ATOM 1027 CD1 A TRP A 59 ? 4.72389 3.17938 9.68632 1.000 9.59119 C ? A ? 59 CD1 1
   ATOM 1028 CD2 A TRP A 59 ? 2.91369 3.96580 8.65510 1.000 9.33610 C ? A ? 59 CD2 1
   ATOM 1029 NE1 A TRP A 59 ? 3.62928 2.85452 10.44737 1.000 10.28927 N ? A ? 59 NE1 1
   ATOM 1030 CE2 A TRP A 59 ? 2.50716 3.32500 9.83125 1.000 9.28930 C ? A ? 59 CE2 1
   ATOM 1031 CE3 A TRP A 59 ? 1.95201 4.56014 7.84616 1.000 9.05487 C ? A ? 59 CE3 1
   ATOM 1032 CZ2 A TRP A 59 ? 1.16746 3.23513 10.21107 1.000 9.05317 C ? A ? 59 CZ2 1
   ATOM 1033 CZ3 A TRP A 59 ? 0.61953 4.47783 8.23302 1.000 8.02177 C ? A ? 59 CZ3 1
   ATOM 1034 CH2 A TRP A 59 ? 0.24770 3.82217 9.39896 1.000 9.55099 C ? A ? 59 CH2 1
   ATOM 1035 H A TRP A 59 ? 7.54604 3.80643 7.76003 1.000 12.74974 H ? A ? 59 H 1
   ATOM 1036 HA A TRP A 59 ? 5.48795 2.50989 6.73661 1.000 10.82766 H ? A ? 59 HA 1
   ATOM 1037 HB2 A TRP A 59 ? 5.87087 4.99192 7.91251 1.000 13.57187 H ? A ? 59 HB2 1
   ATOM 1038 HB3 A TRP A 59 ? 4.65351 4.92449 6.89325 1.000 13.57187 H ? A ? 59 HB3 1
   ATOM 1039 HD1 A TRP A 59 ? 5.60343 2.96528 9.89954 1.000 11.54631 H ? A ? 59 HD1 1
   ATOM 1040 HE1 A TRP A 59 ? 3.64781 2.42424 11.19175 1.000 12.38401 H ? A ? 59 HE1 1
   ATOM 1041 HE3 A TRP A 59 ? 2.19442 5.00231 7.06473 1.000 10.90273 H ? A ? 59 HE3 1
   ATOM 1042 HZ2 A TRP A 59 ? 0.91367 2.79171 10.98816 1.000 10.90068 H ? A ? 59 HZ2 1
   ATOM 1043 HZ3 A TRP A 59 ? -0.03514 4.86923 7.70094 1.000 9.66300 H ? A ? 59 HZ3 1
   ATOM 1044 HH2 A TRP A 59 ? -0.65222 3.78342 9.63035 1.000 11.49806 H ? A ? 59 HH2 1
   ATOM 1045 N B TRP A 59 ? 7.29904 3.21945 7.21087 0.000 10.86972 N ? A ? 59 N 1
   ATOM 1046 CA B TRP A 59 ? 5.93936 3.41427 6.72000 0.000 9.71807 C ? A ? 59 CA 1
   ATOM 1047 C B TRP A 59 ? 5.94780 3.85247 5.26214 0.000 9.84812 C ? A ? 59 C 1
   ATOM 1048 O B TRP A 59 ? 5.12054 3.39955 4.46480 0.000 11.92906 O ? A ? 59 O 1
   ATOM 1049 CB B TRP A 59 ? 5.21008 4.45606 7.57102 0.000 11.35752 C ? A ? 59 CB 1
   ATOM 1050 CG B TRP A 59 ? 4.39788 3.87620 8.67920 0.000 8.80868 C ? A ? 59 CG 1
   ATOM 1051 CD1 B TRP A 59 ? 4.86652 3.26097 9.80075 0.000 9.59280 C ? A ? 59 CD1 1
   ATOM 1052 CD2 B TRP A 59 ? 2.96805 3.86525 8.78175 0.000 9.32723 C ? A ? 59 CD2 1
   ATOM 1053 NE1 B TRP A 59 ? 3.81910 2.85768 10.59202 0.000 9.89122 N ? A ? 59 NE1 1
   ATOM 1054 CE2 B TRP A 59 ? 2.64246 3.21827 9.98975 0.000 9.30377 C ? A ? 59 CE2 1
   ATOM 1055 CE3 B TRP A 59 ? 1.93198 4.33705 7.96810 0.000 9.27695 C ? A ? 59 CE3 1
   ATOM 1056 CZ2 B TRP A 59 ? 1.32606 3.02929 10.40475 0.000 9.26884 C ? A ? 59 CZ2 1
   ATOM 1057 CZ3 B TRP A 59 ? 0.62427 4.14783 8.38210 0.000 8.87426 C ? A ? 59 CZ3 1
   ATOM 1058 CH2 B TRP A 59 ? 0.33372 3.50006 9.58920 0.000 9.44438 C ? A ? 59 CH2 1
   ATOM 1059 H B TRP A 59 ? 7.57988 3.85266 7.72055 0.000 13.08054 H ? A ? 59 H 1
   ATOM 1060 HA B TRP A 59 ? 5.46040 2.57398 6.79357 0.000 11.69856 H ? A ? 59 HA 1
   ATOM 1061 HB2 B TRP A 59 ? 5.86758 5.04925 7.96688 0.000 13.66591 H ? A ? 59 HB2 1
   ATOM 1062 HB3 B TRP A 59 ? 4.61047 4.96002 6.99884 0.000 13.66591 H ? A ? 59 HB3 1
   ATOM 1063 HD1 B TRP A 59 ? 5.76550 3.13268 10.00142 0.000 11.54824 H ? A ? 59 HD1 1
   ATOM 1064 HE1 B TRP A 59 ? 3.89018 2.44569 11.34356 0.000 11.90635 H ? A ? 59 HE1 1
   ATOM 1065 HE3 B TRP A 59 ? 2.11790 4.76887 7.16569 0.000 11.16922 H ? A ? 59 HE3 1
   ATOM 1066 HZ2 B TRP A 59 ? 1.12939 2.59949 11.20569 0.000 11.15949 H ? A ? 59 HZ2 1
   ATOM 1067 HZ3 B TRP A 59 ? -0.07296 4.45618 7.84947 0.000 10.68599 H ? A ? 59 HZ3 1
   ATOM 1068 HH2 B TRP A 59 ? -0.55408 3.38734 9.84218 0.000 11.37014 H ? A ? 59 HH2 1
   ATOM 1069 N . GLU A 60 ? 6.86479 4.74773 4.90239 1.000 12.26205 N ? A ? 60 N 1
   ATOM 1070 CA . GLU A 60 ? 6.96722 5.19285 3.51877 1.000 11.92024 C ? A ? 60 CA 1
   ATOM 1071 C . GLU A 60 ? 7.24040 4.02295 2.59255 1.000 11.93603 C ? A ? 60 C 1
   ATOM 1072 O . GLU A 60 ? 6.58786 3.86066 1.56286 1.000 14.20433 O ? A ? 60 O 1
   ATOM 1073 CB . GLU A 60 ? 8.08266 6.21284 3.37880 1.000 13.53310 C ? A ? 60 CB 1
   ATOM 1074 CG . GLU A 60 ? 7.79964 7.51216 4.02661 1.000 14.91081 C ? A ? 60 CG 1
   ATOM 1075 CD . GLU A 60 ? 6.88996 8.41453 3.18128 1.000 17.97964 C ? A ? 60 CD 1
   ATOM 1076 OE1 . GLU A 60 ? 5.72318 8.07812 2.99045 1.000 21.81733 O ? A ? 60 OE1 1
   ATOM 1077 OE2 . GLU A 60 ? 7.33504 9.49405 2.73813 1.000 27.07167 O ? A ? 60 OE2 1
   ATOM 1078 HA . GLU A 60 ? 6.12722 5.60868 3.26898 1.000 14.34116 H ? A ? 60 HA 1
   ATOM 1079 HB2 . GLU A 60 ? 8.88652 5.85098 3.78348 1.000 16.27660 H ? A ? 60 HB2 1
   ATOM 1080 HB3 . GLU A 60 ? 8.23290 6.38077 2.43533 1.000 16.27660 H ? A ? 60 HB3 1
   ATOM 1081 HG2 . GLU A 60 ? 7.35778 7.35221 4.87519 1.000 17.92985 H ? A ? 60 HG2 1
   ATOM 1082 HG3 . GLU A 60 ? 8.63607 7.98155 4.17139 1.000 17.92985 H ? A ? 60 HG3 1
   ATOM 1083 H A GLU A 60 ? 7.39443 5.14420 5.45184 1.000 14.75134 H ? A ? 60 H 1
   ATOM 1084 H B GLU A 60 ? 7.43420 5.10917 5.43600 0.000 14.75134 H ? A ? 60 H 1
   ATOM 1085 N A GLU A 61 ? 8.22104 3.19246 2.94569 0.248 10.80454 N ? A ? 61 N 1
   ATOM 1086 CA A GLU A 61 ? 8.63209 2.10818 2.06706 0.248 10.35068 C ? A ? 61 CA 1
   ATOM 1087 C A GLU A 61 ? 7.76568 0.86379 2.19594 0.248 12.18406 C ? A ? 61 C 1
   ATOM 1088 O A GLU A 61 ? 7.70186 0.07359 1.25126 0.248 10.73927 O ? A ? 61 O 1
   ATOM 1089 CB A GLU A 61 ? 10.08785 1.74309 2.34333 0.248 9.05406 C ? A ? 61 CB 1
   ATOM 1090 CG A GLU A 61 ? 11.05034 2.86742 2.01225 0.248 15.61303 C ? A ? 61 CG 1
   ATOM 1091 CD A GLU A 61 ? 12.50177 2.48016 2.21102 0.248 18.38958 C ? A ? 61 CD 1
   ATOM 1092 OE1 A GLU A 61 ? 12.79517 1.27926 2.41021 0.248 19.74361 O ? A ? 61 OE1 1
   ATOM 1093 OE2 A GLU A 61 ? 13.35102 3.38906 2.15979 0.248 16.55344 O ? A ? 61 OE2 1
   ATOM 1094 H A GLU A 61 ? 8.65909 3.23803 3.68436 0.248 13.00233 H ? A ? 61 H 1
   ATOM 1095 HA A GLU A 61 ? 8.55985 2.41639 1.15017 0.248 12.45770 H ? A ? 61 HA 1
   ATOM 1096 HB2 A GLU A 61 ? 10.18653 1.53125 3.28476 0.248 10.90175 H ? A ? 61 HB2 1
   ATOM 1097 HB3 A GLU A 61 ? 10.32792 0.97395 1.80326 0.248 10.90175 H ? A ? 61 HB3 1
   ATOM 1098 HG2 A GLU A 61 ? 10.93266 3.11999 1.08313 0.248 18.77252 H ? A ? 61 HG2 1
   ATOM 1099 HG3 A GLU A 61 ? 10.86112 3.62449 2.58838 0.248 18.77252 H ? A ? 61 HG3 1
   ATOM 1100 N B GLU A 61 ? 8.22788 3.20102 2.94383 0.752 10.83641 N ? A ? 61 N 1
   ATOM 1101 CA B GLU A 61 ? 8.62407 2.09754 2.08107 0.752 10.55701 C ? A ? 61 CA 1
   ATOM 1102 C B GLU A 61 ? 7.65607 0.93090 2.15724 0.752 12.38080 C ? A ? 61 C 1
   ATOM 1103 O B GLU A 61 ? 7.36838 0.30022 1.13717 0.752 10.72569 O ? A ? 61 O 1
   ATOM 1104 CB B GLU A 61 ? 10.03088 1.64689 2.45250 0.752 8.50747 C ? A ? 61 CB 1
   ATOM 1105 CG B GLU A 61 ? 10.97935 2.82704 2.47263 0.752 16.09840 C ? A ? 61 CG 1
   ATOM 1106 CD B GLU A 61 ? 12.44491 2.44876 2.31809 0.752 18.54770 C ? A ? 61 CD 1
   ATOM 1107 OE1 B GLU A 61 ? 12.79966 1.23381 2.35597 0.752 19.83924 O ? A ? 61 OE1 1
   ATOM 1108 OE2 B GLU A 61 ? 13.22799 3.40839 2.14353 0.752 16.34293 O ? A ? 61 OE2 1
   ATOM 1109 H B GLU A 61 ? 8.68036 3.26213 3.67261 0.752 13.04057 H ? A ? 61 H 1
   ATOM 1110 HA B GLU A 61 ? 8.63504 2.40139 1.15995 0.752 12.70529 H ? A ? 61 HA 1
   ATOM 1111 HB2 B GLU A 61 ? 10.01969 1.24359 3.33461 0.752 10.24584 H ? A ? 61 HB2 1
   ATOM 1112 HB3 B GLU A 61 ? 10.34893 1.00518 1.79832 0.752 10.24584 H ? A ? 61 HB3 1
   ATOM 1113 HG2 B GLU A 61 ? 10.75049 3.42238 1.74181 0.752 19.35496 H ? A ? 61 HG2 1
   ATOM 1114 HG3 B GLU A 61 ? 10.88255 3.28933 3.31987 0.752 19.35496 H ? A ? 61 HG3 1
   ATOM 1115 N . GLY A 62 ? 7.09097 0.66252 3.31733 1.000 9.37646 N ? A ? 62 N 1
   ATOM 1116 CA . GLY A 62 ? 6.22646 -0.47842 3.40335 1.000 11.27429 C ? A ? 62 CA 1
   ATOM 1117 C . GLY A 62 ? 4.87746 -0.26824 2.78871 1.000 9.45584 C ? A ? 62 C 1
   ATOM 1118 O . GLY A 62 ? 4.35138 -1.19874 2.17561 1.000 10.48714 O ? A ? 62 O 1
   ATOM 1119 HA2 . GLY A 62 ? 6.64735 -1.22670 2.95187 1.000 13.56603 H ? A ? 62 HA2 1
   ATOM 1120 HA3 . GLY A 62 ? 6.09723 -0.70538 4.33753 1.000 13.56603 H ? A ? 62 HA3 1
   ATOM 1121 H A GLY A 62 ? 7.12206 1.16252 4.01635 0.248 11.28864 H ? A ? 62 H 1
   ATOM 1122 H B GLY A 62 ? 7.19277 1.11459 4.04181 0.752 11.28864 H ? A ? 62 H 1
   ATOM 1123 N . VAL A 63 ? 4.26542 0.91081 2.99337 1.000 7.77232 N ? A ? 63 N 1
   ATOM 1124 CA . VAL A 63 ? 2.93277 1.16077 2.41458 1.000 9.23435 C ? A ? 63 CA 1
   ATOM 1125 C . VAL A 63 ? 3.04725 1.34873 0.91624 1.000 8.06503 C ? A ? 63 C 1
   ATOM 1126 O . VAL A 63 ? 2.15449 0.98157 0.14813 1.000 9.29850 O ? A ? 63 O 1
   ATOM 1127 CB . VAL A 63 ? 2.24074 2.37083 3.08148 1.000 9.19167 C ? A ? 63 CB 1
   ATOM 1128 CG1 . VAL A 63 ? 0.95935 2.70632 2.32982 1.000 13.30531 C ? A ? 63 CG1 1
   ATOM 1129 CG2 . VAL A 63 ? 2.01325 2.10439 4.52789 1.000 9.14352 C ? A ? 63 CG2 1
   ATOM 1130 H . VAL A 63 ? 4.58963 1.56370 3.44968 1.000 9.36367 H ? A ? 63 H 1
   ATOM 1131 HA . VAL A 63 ? 2.37827 0.38528 2.59360 1.000 11.11810 H ? A ? 63 HA 1
   ATOM 1132 HB . VAL A 63 ? 2.81059 3.15444 3.03550 1.000 11.06689 H ? A ? 63 HB 1
   ATOM 1133 HG11 . VAL A 63 ? 0.42785 3.31417 2.86733 1.000 16.00325 H ? A ? 63 HG11 1
   ATOM 1134 HG12 . VAL A 63 ? 1.18890 3.12558 1.48576 1.000 16.00325 H ? A ? 63 HG12 1
   ATOM 1135 HG13 . VAL A 63 ? 0.46420 1.88791 2.16878 1.000 16.00325 H ? A ? 63 HG13 1
   ATOM 1136 HG21 . VAL A 63 ? 1.56881 2.87021 4.92398 1.000 11.00911 H ? A ? 63 HG21 1
   ATOM 1137 HG22 . VAL A 63 ? 1.45706 1.31504 4.61994 1.000 11.00911 H ? A ? 63 HG22 1
   ATOM 1138 HG23 . VAL A 63 ? 2.86905 1.95831 4.96051 1.000 11.00911 H ? A ? 63 HG23 1
   ATOM 1139 N . ALA A 64 ? 4.21214 1.82332 0.46591 1.000 9.92652 N ? A ? 64 N 1
   ATOM 1140 CA . ALA A 64 ? 4.39916 1.97297 -0.96622 1.000 10.07208 C ? A ? 64 CA 1
   ATOM 1141 C . ALA A 64 ? 4.32237 0.64262 -1.70269 1.000 10.52153 C ? A ? 64 C 1
   ATOM 1142 O . ALA A 64 ? 3.98377 0.64672 -2.89578 1.000 11.82166 O ? A ? 64 O 1
   ATOM 1143 CB . ALA A 64 ? 5.74606 2.62266 -1.28761 1.000 10.07149 C ? A ? 64 CB 1
   ATOM 1144 H . ALA A 64 ? 4.88054 2.05526 0.95483 1.000 11.94871 H ? A ? 64 H 1
   ATOM 1145 HA . ALA A 64 ? 3.69500 2.55854 -1.28586 1.000 12.12337 H ? A ? 64 HA 1
   ATOM 1146 HB1 . ALA A 64 ? 5.82508 2.72688 -2.24875 1.000 12.12267 H ? A ? 64 HB1 1
   ATOM 1147 HB2 . ALA A 64 ? 5.78910 3.49036 -0.85616 1.000 12.12267 H ? A ? 64 HB2 1
   ATOM 1148 HB3 . ALA A 64 ? 6.45828 2.05316 -0.95698 1.000 12.12267 H ? A ? 64 HB3 1
   ATOM 1149 N A GLN A 65 ? 4.66025 -0.47100 -1.05856 0.466 9.32224 N ? A ? 65 N 1
   ATOM 1150 CA A GLN A 65 ? 4.63234 -1.78335 -1.69855 0.466 10.79369 C ? A ? 65 CA 1
   ATOM 1151 C A GLN A 65 ? 3.35226 -2.55807 -1.40978 0.466 10.97704 C ? A ? 65 C 1
   ATOM 1152 O A GLN A 65 ? 3.27624 -3.75603 -1.71221 0.466 11.01007 O ? A ? 65 O 1
   ATOM 1153 CB A GLN A 65 ? 5.85595 -2.60619 -1.28259 0.466 11.33497 C ? A ? 65 CB 1
   ATOM 1154 CG A GLN A 65 ? 5.91201 -3.00541 0.17066 0.466 12.43537 C ? A ? 65 CG 1
   ATOM 1155 CD A GLN A 65 ? 7.24908 -3.64551 0.54360 0.466 10.75413 C ? A ? 65 CD 1
   ATOM 1156 OE1 A GLN A 65 ? 7.45575 -4.83895 0.33547 0.466 9.83678 O ? A ? 65 OE1 1
   ATOM 1157 NE2 A GLN A 65 ? 8.15810 -2.85009 1.09151 0.466 9.79219 N ? A ? 65 NE2 1
   ATOM 1158 H A GLN A 65 ? 4.91322 -0.49245 -0.23689 0.466 11.22357 H ? A ? 65 H 1
   ATOM 1159 HA A GLN A 65 ? 4.68046 -1.65179 -2.65838 0.466 12.98930 H ? A ? 65 HA 1
   ATOM 1160 HB2 A GLN A 65 ? 5.86574 -3.42278 -1.80602 0.466 13.63885 H ? A ? 65 HB2 1
   ATOM 1161 HB3 A GLN A 65 ? 6.65164 -2.08345 -1.46842 0.466 13.63885 H ? A ? 65 HB3 1
   ATOM 1162 HG2 A GLN A 65 ? 5.79036 -2.21673 0.72211 0.466 14.95932 H ? A ? 65 HG2 1
   ATOM 1163 HG3 A GLN A 65 ? 5.20846 -3.64827 0.35131 0.466 14.95932 H ? A ? 65 HG3 1
   ATOM 1164 HE21 A GLN A 65 ? 7.98024 -2.01861 1.22044 0.466 11.78751 H ? A ? 65 HE21 1
   ATOM 1165 HE22 A GLN A 65 ? 8.92536 -3.16582 1.31786 0.466 11.78751 H ? A ? 65 HE22 1
   ATOM 1166 N B GLN A 65 ? 4.65798 -0.47155 -1.05574 0.534 9.29544 N ? A ? 65 N 1
   ATOM 1167 CA B GLN A 65 ? 4.61006 -1.79080 -1.68203 0.534 10.80312 C ? A ? 65 CA 1
   ATOM 1168 C B GLN A 65 ? 3.32334 -2.54871 -1.37456 0.534 10.98617 C ? A ? 65 C 1
   ATOM 1169 O B GLN A 65 ? 3.22868 -3.74775 -1.67019 0.534 10.98009 O ? A ? 65 O 1
   ATOM 1170 CB B GLN A 65 ? 5.83031 -2.62340 -1.27095 0.534 11.35843 C ? A ? 65 CB 1
   ATOM 1171 CG B GLN A 65 ? 5.95680 -2.92406 0.20161 0.534 12.48747 C ? A ? 65 CG 1
   ATOM 1172 CD B GLN A 65 ? 7.31864 -3.52607 0.56097 0.534 10.69509 C ? A ? 65 CD 1
   ATOM 1173 OE1 B GLN A 65 ? 7.53322 -4.72900 0.42773 0.534 9.77848 O ? A ? 65 OE1 1
   ATOM 1174 NE2 B GLN A 65 ? 8.23743 -2.68677 1.01906 0.534 9.76605 N ? A ? 65 NE2 1
   ATOM 1175 H B GLN A 65 ? 4.92174 -0.48915 -0.23737 0.534 11.19141 H ? A ? 65 H 1
   ATOM 1176 HA B GLN A 65 ? 4.65066 -1.66944 -2.64355 0.534 13.00063 H ? A ? 65 HA 1
   ATOM 1177 HB2 B GLN A 65 ? 5.78744 -3.47418 -1.73489 0.534 13.66700 H ? A ? 65 HB2 1
   ATOM 1178 HB3 B GLN A 65 ? 6.62954 -2.14137 -1.53511 0.534 13.66700 H ? A ? 65 HB3 1
   ATOM 1179 HG2 B GLN A 65 ? 5.84926 -2.10117 0.70381 0.534 15.02185 H ? A ? 65 HG2 1
   ATOM 1180 HG3 B GLN A 65 ? 5.26984 -3.55999 0.45573 0.534 15.02185 H ? A ? 65 HG3 1
   ATOM 1181 HE21 B GLN A 65 ? 8.05338 -1.85072 1.10117 0.534 11.75614 H ? A ? 65 HE21 1
   ATOM 1182 HE22 B GLN A 65 ? 9.01735 -2.97851 1.23405 0.534 11.75614 H ? A ? 65 HE22 1
   ATOM 1183 N A MET A 66 ? 2.33506 -1.89769 -0.86833 0.466 10.19951 N ? A ? 66 N 1
   ATOM 1184 CA A MET A 66 ? 1.05497 -2.52913 -0.58508 0.466 9.91460 C ? A ? 66 CA 1
   ATOM 1185 C A MET A 66 ? 0.00780 -2.06949 -1.59173 0.466 9.86259 C ? A ? 66 C 1
   ATOM 1186 O A MET A 66 ? 0.00882 -0.91921 -2.03530 0.466 10.42775 O ? A ? 66 O 1
   ATOM 1187 CB A MET A 66 ? 0.57811 -2.20669 0.83722 0.466 9.38380 C ? A ? 66 CB 1
   ATOM 1188 CG A MET A 66 ? 1.43531 -2.85717 1.91980 0.466 10.26615 C ? A ? 66 CG 1
   ATOM 1189 SD A MET A 66 ? 1.00175 -2.33376 3.58613 0.466 10.05946 S ? A ? 66 SD 1
   ATOM 1190 CE A MET A 66 ? -0.59826 -3.14695 3.77056 0.466 6.96612 C ? A ? 66 CE 1
   ATOM 1191 H A MET A 66 ? 2.36449 -1.06578 -0.65233 0.466 12.27630 H ? A ? 66 H 1
   ATOM 1192 HA A MET A 66 ? 1.15832 -3.49118 -0.65343 0.466 11.93440 H ? A ? 66 HA 1
   ATOM 1193 HB2 A MET A 66 ? 0.60913 -1.24614 0.96870 0.466 11.29744 H ? A ? 66 HB2 1
   ATOM 1194 HB3 A MET A 66 ? -0.33129 -2.52693 0.94376 0.466 11.29744 H ? A ? 66 HB3 1
   ATOM 1195 HG2 A MET A 66 ? 1.32355 -3.81953 1.87210 0.466 12.35626 H ? A ? 66 HG2 1
   ATOM 1196 HG3 A MET A 66 ? 2.36416 -2.62308 1.76703 0.466 12.35626 H ? A ? 66 HG3 1
   ATOM 1197 HE1 A MET A 66 ? -0.95947 -2.93832 4.64629 0.466 8.39623 H ? A ? 66 HE1 1
   ATOM 1198 HE2 A MET A 66 ? -1.19803 -2.82419 3.07990 0.466 8.39623 H ? A ? 66 HE2 1
   ATOM 1199 HE3 A MET A 66 ? -0.47745 -4.10535 3.68233 0.466 8.39623 H ? A ? 66 HE3 1
   ATOM 1200 N B MET A 66 ? 2.32054 -1.87242 -0.82523 0.534 10.20323 N ? A ? 66 N 1
   ATOM 1201 CA B MET A 66 ? 1.02459 -2.47939 -0.55334 0.534 9.74291 C ? A ? 66 CA 1
   ATOM 1202 C B MET A 66 ? 0.00960 -2.06389 -1.61362 0.534 10.00379 C ? A ? 66 C 1
   ATOM 1203 O B MET A 66 ? 0.02685 -0.93681 -2.10825 0.534 10.35095 O ? A ? 66 O 1
   ATOM 1204 CB B MET A 66 ? 0.49792 -2.07254 0.82763 0.534 9.29399 C ? A ? 66 CB 1
   ATOM 1205 CG B MET A 66 ? 1.25317 -2.69045 1.99360 0.534 10.16502 C ? A ? 66 CG 1
   ATOM 1206 SD B MET A 66 ? 0.81297 -1.89995 3.54763 0.534 9.48730 S ? A ? 66 SD 1
   ATOM 1207 CE B MET A 66 ? -0.91757 -2.35328 3.69797 0.534 8.65720 C ? A ? 66 CE 1
   ATOM 1208 H B MET A 66 ? 2.36834 -1.04463 -0.59705 0.534 12.28075 H ? A ? 66 H 1
   ATOM 1209 HA B MET A 66 ? 1.13027 -3.44354 -0.56480 0.534 11.72838 H ? A ? 66 HA 1
   ATOM 1210 HB2 B MET A 66 ? 0.56443 -1.10856 0.91256 0.534 11.18967 H ? A ? 66 HB2 1
   ATOM 1211 HB3 B MET A 66 ? -0.42920 -2.34868 0.89896 0.534 11.18967 H ? A ? 66 HB3 1
   ATOM 1212 HG2 B MET A 66 ? 1.03308 -3.63307 2.05629 0.534 12.23491 H ? A ? 66 HG2 1
   ATOM 1213 HG3 B MET A 66 ? 2.20676 -2.58102 1.85359 0.534 12.23491 H ? A ? 66 HG3 1
   ATOM 1214 HE1 B MET A 66 ? -1.25776 -2.02444 4.54475 0.534 10.42552 H ? A ? 66 HE1 1
   ATOM 1215 HE2 B MET A 66 ? -1.41314 -1.95508 2.96533 0.534 10.42552 H ? A ? 66 HE2 1
   ATOM 1216 HE3 B MET A 66 ? -0.99508 -3.31955 3.66316 0.534 10.42552 H ? A ? 66 HE3 1
   ATOM 1217 N . SER A 67 ? -0.89167 -2.97769 -1.94690 1.000 9.89447 N ? A ? 67 N 1
   ATOM 1218 CA . SER A 67 ? -1.98150 -2.65058 -2.85896 1.000 13.34773 C ? A ? 67 CA 1
   ATOM 1219 C . SER A 67 ? -3.27941 -2.44645 -2.08303 1.000 12.47099 C ? A ? 67 C 1
   ATOM 1220 O . SER A 67 ? -3.42461 -2.88947 -0.93692 1.000 10.26910 O ? A ? 67 O 1
   ATOM 1221 CB . SER A 67 ? -2.16164 -3.73610 -3.91905 1.000 10.52555 C ? A ? 67 CB 1
   ATOM 1222 OG . SER A 67 ? -2.33723 -4.99474 -3.34818 1.000 10.07727 O ? A ? 67 OG 1
   ATOM 1223 HA . SER A 67 ? -1.77067 -1.82449 -3.32158 1.000 16.05415 H ? A ? 67 HA 1
   ATOM 1224 HB2 . SER A 67 ? -2.94350 -3.52402 -4.45256 1.000 12.66754 H ? A ? 67 HB2 1
   ATOM 1225 HB3 . SER A 67 ? -1.37170 -3.75648 -4.48162 1.000 12.66754 H ? A ? 67 HB3 1
   ATOM 1226 HG . SER A 67 ? -3.03259 -5.00202 -2.87699 1.000 12.12961 H ? A ? 67 HG 1
   ATOM 1227 H A SER A 67 ? -0.89236 -3.79270 -1.67237 0.466 11.91024 H ? A ? 67 H 1
   ATOM 1228 H B SER A 67 ? -0.89387 -3.78852 -1.66028 0.534 11.91024 H ? A ? 67 H 1
   ATOM 1229 N . VAL A 68 ? -4.25006 -1.79151 -2.73638 1.000 12.03975 N ? A ? 68 N 1
   ATOM 1230 CA . VAL A 68 ? -5.48259 -1.44238 -2.03716 1.000 9.33663 C ? A ? 68 CA 1
   ATOM 1231 C . VAL A 68 ? -6.16538 -2.70850 -1.55155 1.000 12.84556 C ? A ? 68 C 1
   ATOM 1232 O . VAL A 68 ? -6.34215 -3.68009 -2.29977 1.000 13.82995 O ? A ? 68 O 1
   ATOM 1233 CB . VAL A 68 ? -6.41773 -0.61735 -2.94039 1.000 14.45887 C ? A ? 68 CB 1
   ATOM 1234 CG1 . VAL A 68 ? -7.73124 -0.36995 -2.23791 1.000 19.35649 C ? A ? 68 CG1 1
   ATOM 1235 CG2 . VAL A 68 ? -5.74712 0.69002 -3.35221 1.000 21.26863 C ? A ? 68 CG2 1
   ATOM 1236 H . VAL A 68 ? -4.21592 -1.54727 -3.56026 1.000 14.48458 H ? A ? 68 H 1
   ATOM 1237 HA . VAL A 68 ? -5.25279 -0.89692 -1.26868 1.000 11.24084 H ? A ? 68 HA 1
   ATOM 1238 HB . VAL A 68 ? -6.60471 -1.11430 -3.75216 1.000 17.38752 H ? A ? 68 HB 1
   ATOM 1239 HG11 . VAL A 68 ? -8.21087 0.33297 -2.70348 1.000 23.26466 H ? A ? 68 HG11 1
   ATOM 1240 HG12 . VAL A 68 ? -8.25276 -1.18778 -2.24624 1.000 23.26466 H ? A ? 68 HG12 1
   ATOM 1241 HG13 . VAL A 68 ? -7.55422 -0.09982 -1.32326 1.000 23.26466 H ? A ? 68 HG13 1
   ATOM 1242 HG21 . VAL A 68 ? -6.36426 1.20377 -3.89636 1.000 25.55924 H ? A ? 68 HG21 1
   ATOM 1243 HG22 . VAL A 68 ? -5.51405 1.19033 -2.55455 1.000 25.55924 H ? A ? 68 HG22 1
   ATOM 1244 HG23 . VAL A 68 ? -4.94671 0.48766 -3.86141 1.000 25.55924 H ? A ? 68 HG23 1
   ATOM 1245 N . GLY A 69 ? -6.59403 -2.68851 -0.30461 1.000 13.97569 N ? A ? 69 N 1
   ATOM 1246 CA . GLY A 69 ? -7.19257 -3.83262 0.32393 1.000 18.79499 C ? A ? 69 CA 1
   ATOM 1247 C . GLY A 69 ? -6.22369 -4.66814 1.11443 1.000 14.79292 C ? A ? 69 C 1
   ATOM 1248 O . GLY A 69 ? -6.65581 -5.51174 1.89456 1.000 15.32634 O ? A ? 69 O 1
   ATOM 1249 H . GLY A 69 ? -6.54522 -2.00033 0.20884 1.000 16.80771 H ? A ? 69 H 1
   ATOM 1250 HA2 . GLY A 69 ? -7.89044 -3.53136 0.92653 1.000 22.59087 H ? A ? 69 HA2 1
   ATOM 1251 HA3 . GLY A 69 ? -7.58723 -4.39653 -0.35955 1.000 22.59087 H ? A ? 69 HA3 1
   ATOM 1252 N . GLN A 70 ? -4.92152 -4.47612 0.92313 1.000 14.56335 N ? A ? 70 N 1
   ATOM 1253 CA . GLN A 70 ? -3.94198 -5.30416 1.60481 1.000 11.03748 C ? A ? 70 CA 1
   ATOM 1254 C . GLN A 70 ? -3.80287 -4.90473 3.06645 1.000 9.21984 C ? A ? 70 C 1
   ATOM 1255 O . GLN A 70 ? -3.85289 -3.72120 3.41346 1.000 10.93933 O ? A ? 70 O 1
   ATOM 1256 CB . GLN A 70 ? -2.57810 -5.20577 0.93422 1.000 10.20386 C ? A ? 70 CB 1
   ATOM 1257 CG . GLN A 70 ? -1.50983 -6.14727 1.49388 1.000 8.64504 C ? A ? 70 CG 1
   ATOM 1258 CD . GLN A 70 ? -0.23255 -6.05640 0.68288 1.000 12.01166 C ? A ? 70 CD 1
   ATOM 1259 OE1 . GLN A 70 ? -0.18575 -5.36085 -0.31228 1.000 15.08469 O ? A ? 70 OE1 1
   ATOM 1260 NE2 . GLN A 70 ? 0.78751 -6.75269 1.09530 1.000 13.39059 N ? A ? 70 NE2 1
   ATOM 1261 H . GLN A 70 ? -4.58542 -3.87627 0.40658 1.000 17.51290 H ? A ? 70 H 1
   ATOM 1262 HA . GLN A 70 ? -4.24493 -6.22460 1.56102 1.000 13.28186 H ? A ? 70 HA 1
   ATOM 1263 HB2 . GLN A 70 ? -2.68379 -5.41359 -0.00735 1.000 12.28151 H ? A ? 70 HB2 1
   ATOM 1264 HB3 . GLN A 70 ? -2.24971 -4.29908 1.03901 1.000 12.28151 H ? A ? 70 HB3 1
   ATOM 1265 HG2 . GLN A 70 ? -1.31057 -5.90169 2.41088 1.000 10.41092 H ? A ? 70 HG2 1
   ATOM 1266 HG3 . GLN A 70 ? -1.83315 -7.06109 1.45793 1.000 10.41092 H ? A ? 70 HG3 1
   ATOM 1267 HE21 . GLN A 70 ? 0.71922 -7.23843 1.80169 1.000 16.10559 H ? A ? 70 HE21 1
   ATOM 1268 HE22 . GLN A 70 ? 1.52952 -6.72684 0.66131 1.000 16.10559 H ? A ? 70 HE22 1
   ATOM 1269 N A ARG A 71 ? -3.61434 -5.90728 3.91229 0.575 9.68755 N ? A ? 71 N 1
   ATOM 1270 CA A ARG A 71 ? -3.32736 -5.72986 5.33099 0.575 9.26320 C ? A ? 71 CA 1
   ATOM 1271 C A ARG A 71 ? -2.02832 -6.45056 5.62149 0.575 9.97265 C ? A ? 71 C 1
   ATOM 1272 O A ARG A 71 ? -1.84868 -7.59512 5.19626 0.575 12.39234 O ? A ? 71 O 1
   ATOM 1273 CB A ARG A 71 ? -4.46680 -6.27387 6.20113 0.575 12.09296 C ? A ? 71 CB 1
   ATOM 1274 CG A ARG A 71 ? -4.28300 -5.98923 7.67174 0.575 9.78912 C ? A ? 71 CG 1
   ATOM 1275 CD A ARG A 71 ? -5.45487 -6.57716 8.46885 0.575 11.96988 C ? A ? 71 CD 1
   ATOM 1276 NE A ARG A 71 ? -5.27743 -6.45317 9.90919 0.575 14.46544 N ? A ? 71 NE 1
   ATOM 1277 CZ A ARG A 71 ? -6.00430 -7.11559 10.80199 0.575 15.89702 C ? A ? 71 CZ 1
   ATOM 1278 NH1 A ARG A 71 ? -6.96943 -7.93791 10.42453 0.575 16.87995 N ? A ? 71 NH1 1
   ATOM 1279 NH2 A ARG A 71 ? -5.76583 -6.93285 12.10002 0.575 15.42495 N ? A ? 71 NH2 1
   ATOM 1280 H A ARG A 71 ? -3.64885 -6.73450 3.67965 0.575 11.66194 H ? A ? 71 H 1
   ATOM 1281 HA A ARG A 71 ? -3.22676 -4.79032 5.55016 0.575 11.15272 H ? A ? 71 HA 1
   ATOM 1282 HB2 A ARG A 71 ? -5.29949 -5.86348 5.91987 0.575 14.54843 H ? A ? 71 HB2 1
   ATOM 1283 HB3 A ARG A 71 ? -4.51614 -7.23594 6.08761 0.575 14.54843 H ? A ? 71 HB3 1
   ATOM 1284 HG2 A ARG A 71 ? -3.45930 -6.39586 7.98331 0.575 11.78382 H ? A ? 71 HG2 1
   ATOM 1285 HG3 A ARG A 71 ? -4.25613 -5.03081 7.81869 0.575 11.78382 H ? A ? 71 HG3 1
   ATOM 1286 HD2 A ARG A 71 ? -6.26880 -6.10872 8.22602 0.575 14.40074 H ? A ? 71 HD2 1
   ATOM 1287 HD3 A ARG A 71 ? -5.53918 -7.52013 8.25764 0.575 14.40074 H ? A ? 71 HD3 1
   ATOM 1288 HE A ARG A 71 ? -4.66711 -5.92059 10.19811 0.575 17.39541 H ? A ? 71 HE 1
   ATOM 1289 HH11 A ARG A 71 ? -7.13539 -8.05107 9.58832 0.575 20.29282 H ? A ? 71 HH11 1
   ATOM 1290 HH12 A ARG A 71 ? -7.43087 -8.35931 11.01537 0.575 20.29282 H ? A ? 71 HH12 1
   ATOM 1291 HH21 A ARG A 71 ? -5.14713 -6.39100 12.35144 0.575 18.54682 H ? A ? 71 HH21 1
   ATOM 1292 HH22 A ARG A 71 ? -6.23060 -7.35675 12.68645 0.575 18.54682 H ? A ? 71 HH22 1
   ATOM 1293 N B ARG A 71 ? -3.60525 -5.90308 3.91497 0.425 9.77432 N ? A ? 71 N 1
   ATOM 1294 CA B ARG A 71 ? -3.32579 -5.71301 5.33264 0.425 9.26564 C ? A ? 71 CA 1
   ATOM 1295 C B ARG A 71 ? -2.03548 -6.44635 5.63186 0.425 9.94051 C ? A ? 71 C 1
   ATOM 1296 O B ARG A 71 ? -1.87491 -7.59932 5.22580 0.425 12.37689 O ? A ? 71 O 1
   ATOM 1297 CB B ARG A 71 ? -4.47557 -6.23964 6.19815 0.425 12.08001 C ? A ? 71 CB 1
   ATOM 1298 CG B ARG A 71 ? -4.21844 -6.15599 7.67851 0.425 9.90437 C ? A ? 71 CG 1
   ATOM 1299 CD B ARG A 71 ? -5.38872 -6.79039 8.43188 0.425 12.04985 C ? A ? 71 CD 1
   ATOM 1300 NE B ARG A 71 ? -5.06857 -7.02227 9.83089 0.425 13.90372 N ? A ? 71 NE 1
   ATOM 1301 CZ B ARG A 71 ? -5.71154 -7.87491 10.61810 0.425 17.27320 C ? A ? 71 CZ 1
   ATOM 1302 NH1 B ARG A 71 ? -6.68771 -8.64641 10.15374 0.425 12.70031 N ? A ? 71 NH1 1
   ATOM 1303 NH2 B ARG A 71 ? -5.34721 -7.97479 11.89347 0.425 14.84380 N ? A ? 71 NH2 1
   ATOM 1304 H B ARG A 71 ? -3.62866 -6.73163 3.68575 0.425 11.76607 H ? A ? 71 H 1
   ATOM 1305 HA B ARG A 71 ? -3.21532 -4.77345 5.54697 0.425 11.15565 H ? A ? 71 HA 1
   ATOM 1306 HB2 B ARG A 71 ? -5.27145 -5.71897 6.00741 0.425 14.53290 H ? A ? 71 HB2 1
   ATOM 1307 HB3 B ARG A 71 ? -4.62828 -7.17185 5.97779 0.425 14.53290 H ? A ? 71 HB3 1
   ATOM 1308 HG2 B ARG A 71 ? -3.40531 -6.63650 7.89947 0.425 11.92212 H ? A ? 71 HG2 1
   ATOM 1309 HG3 B ARG A 71 ? -4.13847 -5.22738 7.94719 0.425 11.92212 H ? A ? 71 HG3 1
   ATOM 1310 HD2 B ARG A 71 ? -6.15524 -6.19744 8.38995 0.425 14.49671 H ? A ? 71 HD2 1
   ATOM 1311 HD3 B ARG A 71 ? -5.60650 -7.64344 8.02471 0.425 14.49671 H ? A ? 71 HD3 1
   ATOM 1312 HE B ARG A 71 ? -4.41733 -6.57585 10.17177 0.425 16.72134 H ? A ? 71 HE 1
   ATOM 1313 HH11 B ARG A 71 ? -6.91568 -8.59984 9.32582 0.425 15.27725 H ? A ? 71 HH11 1
   ATOM 1314 HH12 B ARG A 71 ? -7.09187 -9.19257 10.68097 0.425 15.27725 H ? A ? 71 HH12 1
   ATOM 1315 HH21 B ARG A 71 ? -4.70386 -7.49090 12.19604 0.425 17.84944 H ? A ? 71 HH21 1
   ATOM 1316 HH22 B ARG A 71 ? -5.75499 -8.52326 12.41547 0.425 17.84944 H ? A ? 71 HH22 1
   ATOM 1317 N . ALA A 72 ? -1.08916 -5.77185 6.29140 1.000 8.40120 N ? A ? 72 N 1
   ATOM 1318 CA . ALA A 72 ? 0.22908 -6.34726 6.49627 1.000 7.52580 C ? A ? 72 CA 1
   ATOM 1319 C . ALA A 72 ? 0.79657 -6.03353 7.87033 1.000 10.66054 C ? A ? 72 C 1
   ATOM 1320 O . ALA A 72 ? 0.44071 -5.03462 8.50253 1.000 11.83889 O ? A ? 72 O 1
   ATOM 1321 CB . ALA A 72 ? 1.20290 -5.86185 5.41979 1.000 12.65101 C ? A ? 72 CB 1
   ATOM 1322 HA . ALA A 72 ? 0.13951 -7.31248 6.46120 1.000 9.06784 H ? A ? 72 HA 1
   ATOM 1323 HB1 . ALA A 72 ? 2.07514 -6.25352 5.58320 1.000 15.21810 H ? A ? 72 HB1 1
   ATOM 1324 HB2 . ALA A 72 ? 0.87449 -6.13707 4.54956 1.000 15.21810 H ? A ? 72 HB2 1
   ATOM 1325 HB3 . ALA A 72 ? 1.26185 -4.89449 5.46030 1.000 15.21810 H ? A ? 72 HB3 1
   ATOM 1326 H A ALA A 72 ? -1.19760 -4.98830 6.62887 0.575 10.11832 H ? A ? 72 H 1
   ATOM 1327 H B ALA A 72 ? -1.19229 -4.98575 6.62457 0.425 10.11832 H ? A ? 72 H 1
   ATOM 1328 N . LYS A 73 ? 1.71414 -6.90420 8.30918 1.000 10.85455 N ? A ? 73 N 1
   ATOM 1329 CA . LYS A 73 ? 2.53934 -6.66665 9.48418 1.000 9.08438 C ? A ? 73 CA 1
   ATOM 1330 C . LYS A 73 ? 3.84926 -6.02847 9.03673 1.000 11.06803 C ? A ? 73 C 1
   ATOM 1331 O . LYS A 73 ? 4.62079 -6.66038 8.32124 1.000 9.33322 O ? A ? 73 O 1
   ATOM 1332 CB . LYS A 73 ? 2.84297 -7.96816 10.23006 1.000 11.45048 C ? A ? 73 CB 1
   ATOM 1333 CG . LYS A 73 ? 3.75224 -7.78653 11.43125 1.000 10.00385 C ? A ? 73 CG 1
   ATOM 1334 CD . LYS A 73 ? 4.08154 -9.13485 12.04680 1.000 14.86189 C ? A ? 73 CD 1
   ATOM 1335 CE . LYS A 73 ? 4.92495 -8.98442 13.28688 1.000 13.25205 C ? A ? 73 CE 1
   ATOM 1336 NZ . LYS A 73 ? 5.16889 -10.29612 14.00644 1.000 17.21316 N ? A ? 73 NZ 1
   ATOM 1337 H . LYS A 73 ? 1.87654 -7.65799 7.92834 1.000 13.06234 H ? A ? 73 H 1
   ATOM 1338 HA . LYS A 73 ? 2.06391 -6.07178 10.08501 1.000 10.93814 H ? A ? 73 HA 1
   ATOM 1339 HB2 . LYS A 73 ? 2.00835 -8.34886 10.54530 1.000 13.77746 H ? A ? 73 HB2 1
   ATOM 1340 HB3 . LYS A 73 ? 3.27842 -8.58322 9.61933 1.000 13.77746 H ? A ? 73 HB3 1
   ATOM 1341 HG2 . LYS A 73 ? 4.57891 -7.36176 11.15359 1.000 12.04150 H ? A ? 73 HG2 1
   ATOM 1342 HG3 . LYS A 73 ? 3.30677 -7.24114 12.09833 1.000 12.04150 H ? A ? 73 HG3 1
   ATOM 1343 HD2 . LYS A 73 ? 3.25843 -9.58636 12.29080 1.000 17.87115 H ? A ? 73 HD2 1
   ATOM 1344 HD3 . LYS A 73 ? 4.57533 -9.66906 11.40517 1.000 17.87115 H ? A ? 73 HD3 1
   ATOM 1345 HE2 . LYS A 73 ? 5.78727 -8.61645 13.03806 1.000 15.93934 H ? A ? 73 HE2 1
   ATOM 1346 HE3 . LYS A 73 ? 4.47426 -8.38608 13.90313 1.000 15.93934 H ? A ? 73 HE3 1
   ATOM 1347 HZ1 . LYS A 73 ? 5.26906 -10.15075 14.87876 1.000 20.69267 H ? A ? 73 HZ1 1
   ATOM 1348 HZ2 . LYS A 73 ? 4.47882 -10.84431 13.88235 1.000 20.69267 H ? A ? 73 HZ2 1
   ATOM 1349 HZ3 . LYS A 73 ? 5.90575 -10.68352 13.69170 1.000 20.69267 H ? A ? 73 HZ3 1
   ATOM 1350 N . LEU A 74 ? 4.11281 -4.80319 9.47656 1.000 10.02887 N ? A ? 74 N 1
   ATOM 1351 CA . LEU A 74 ? 5.39143 -4.14538 9.21331 1.000 8.50272 C ? A ? 74 CA 1
   ATOM 1352 C . LEU A 74 ? 6.25611 -4.22181 10.46407 1.000 11.35887 C ? A ? 74 C 1
   ATOM 1353 O . LEU A 74 ? 5.84521 -3.75496 11.51857 1.000 12.58427 O ? A ? 74 O 1
   ATOM 1354 CB . LEU A 74 ? 5.17944 -2.68674 8.83085 1.000 9.02691 C ? A ? 74 CB 1
   ATOM 1355 CG . LEU A 74 ? 4.57869 -2.32101 7.47537 1.000 14.85238 C ? A ? 74 CG 1
   ATOM 1356 CD1 . LEU A 74 ? 3.33695 -3.08451 7.10190 1.000 23.27417 C ? A ? 74 CD1 1
   ATOM 1357 CD2 . LEU A 74 ? 4.34620 -0.77235 7.50702 1.000 15.16307 C ? A ? 74 CD2 1
   ATOM 1358 H . LEU A 74 ? 3.56248 -4.32658 9.93434 1.000 12.07153 H ? A ? 74 H 1
   ATOM 1359 HA . LEU A 74 ? 5.84091 -4.60339 8.48592 1.000 10.24015 H ? A ? 74 HA 1
   ATOM 1360 HB2 . LEU A 74 ? 4.59046 -2.30032 9.49769 1.000 10.86918 H ? A ? 74 HB2 1
   ATOM 1361 HB3 . LEU A 74 ? 6.04725 -2.25467 8.86436 1.000 10.86918 H ? A ? 74 HB3 1
   ATOM 1362 HG . LEU A 74 ? 5.18983 -2.57491 6.76618 1.000 17.85973 H ? A ? 74 HG 1
   ATOM 1363 HD11 . LEU A 74 ? 3.01770 -2.76737 6.24260 1.000 27.96588 H ? A ? 74 HD11 1
   ATOM 1364 HD12 . LEU A 74 ? 3.55142 -4.02891 7.04706 1.000 27.96588 H ? A ? 74 HD12 1
   ATOM 1365 HD13 . LEU A 74 ? 2.65992 -2.93795 7.78091 1.000 27.96588 H ? A ? 74 HD13 1
   ATOM 1366 HD21 . LEU A 74 ? 3.90932 -0.50171 6.68435 1.000 18.23257 H ? A ? 74 HD21 1
   ATOM 1367 HD22 . LEU A 74 ? 3.78518 -0.55270 8.26722 1.000 18.23257 H ? A ? 74 HD22 1
   ATOM 1368 HD23 . LEU A 74 ? 5.20349 -0.32591 7.58864 1.000 18.23257 H ? A ? 74 HD23 1
   ATOM 1369 N . THR A 75 ? 7.44822 -4.80186 10.33858 1.000 9.25277 N ? A ? 75 N 1
   ATOM 1370 CA . THR A 75 ? 8.43082 -4.84687 11.41431 1.000 8.03214 C ? A ? 75 CA 1
   ATOM 1371 C . THR A 75 ? 9.52137 -3.85136 11.01143 1.000 7.32633 C ? A ? 75 C 1
   ATOM 1372 O . THR A 75 ? 10.20601 -4.05176 10.00594 1.000 11.16863 O ? A ? 75 O 1
   ATOM 1373 CB . THR A 75 ? 8.97562 -6.25098 11.62712 1.000 10.13021 C ? A ? 75 CB 1
   ATOM 1374 OG1 . THR A 75 ? 7.88604 -7.11974 11.95369 1.000 12.10942 O ? A ? 75 OG1 1
   ATOM 1375 CG2 . THR A 75 ? 9.94777 -6.22028 12.75541 1.000 10.34379 C ? A ? 75 CG2 1
   ATOM 1376 H . THR A 75 ? 7.71624 -5.18667 9.61768 1.000 11.14021 H ? A ? 75 H 1
   ATOM 1377 HA . THR A 75 ? 8.03693 -4.58259 12.26042 1.000 9.67545 H ? A ? 75 HA 1
   ATOM 1378 HB . THR A 75 ? 9.42199 -6.58158 10.83191 1.000 12.19313 H ? A ? 75 HB 1
   ATOM 1379 HG1 . THR A 75 ? 8.05246 -7.90028 11.69165 1.000 14.56818 H ? A ? 75 HG1 1
   ATOM 1380 HG21 . THR A 75 ? 10.19667 -7.12436 13.00357 1.000 12.44943 H ? A ? 75 HG21 1
   ATOM 1381 HG22 . THR A 75 ? 10.74554 -5.73497 12.49284 1.000 12.44943 H ? A ? 75 HG22 1
   ATOM 1382 HG23 . THR A 75 ? 9.55063 -5.78098 13.52365 1.000 12.44943 H ? A ? 75 HG23 1
   ATOM 1383 N . ILE A 76 ? 9.61005 -2.74844 11.75009 1.000 9.17277 N ? A ? 76 N 1
   ATOM 1384 CA . ILE A 76 ? 10.44295 -1.59992 11.38742 1.000 11.11772 C ? A ? 76 CA 1
   ATOM 1385 C . ILE A 76 ? 11.60689 -1.48482 12.36799 1.000 10.08536 C ? A ? 76 C 1
   ATOM 1386 O . ILE A 76 ? 11.42144 -1.21293 13.56396 1.000 8.82860 O ? A ? 76 O 1
   ATOM 1387 CB . ILE A 76 ? 9.62913 -0.30144 11.36149 1.000 9.95461 C ? A ? 76 CB 1
   ATOM 1388 CG1 . ILE A 76 ? 8.38419 -0.48836 10.49110 1.000 7.34609 C ? A ? 76 CG1 1
   ATOM 1389 CG2 . ILE A 76 ? 10.51259 0.86718 10.90237 1.000 9.68041 C ? A ? 76 CG2 1
   ATOM 1390 CD1 . ILE A 76 ? 7.42215 0.65174 10.59824 1.000 9.18227 C ? A ? 76 CD1 1
   ATOM 1391 H . ILE A 76 ? 9.18443 -2.63689 12.48901 1.000 11.04420 H ? A ? 76 H 1
   ATOM 1392 HA . ILE A 76 ? 10.81616 -1.76243 10.50696 1.000 13.37815 H ? A ? 76 HA 1
   ATOM 1393 HB . ILE A 76 ? 9.32186 -0.08584 12.25592 1.000 11.98242 H ? A ? 76 HB 1
   ATOM 1394 HG12 . ILE A 76 ? 8.65684 -0.56416 9.56329 1.000 8.85219 H ? A ? 76 HG12 1
   ATOM 1395 HG13 . ILE A 76 ? 7.92397 -1.29585 10.76867 1.000 8.85219 H ? A ? 76 HG13 1
   ATOM 1396 HG21 . ILE A 76 ? 9.97367 1.67254 10.85926 1.000 11.65338 H ? A ? 76 HG21 1
   ATOM 1397 HG22 . ILE A 76 ? 11.23481 0.98613 11.53888 1.000 11.65338 H ? A ? 76 HG22 1
   ATOM 1398 HG23 . ILE A 76 ? 10.87448 0.66402 10.02563 1.000 11.65338 H ? A ? 76 HG23 1
   ATOM 1399 HD11 . ILE A 76 ? 6.58536 0.39946 10.17748 1.000 11.05561 H ? A ? 76 HD11 1
   ATOM 1400 HD12 . ILE A 76 ? 7.27371 0.85268 11.53552 1.000 11.05561 H ? A ? 76 HD12 1
   ATOM 1401 HD13 . ILE A 76 ? 7.79796 1.42530 10.14960 1.000 11.05561 H ? A ? 76 HD13 1
   ATOM 1402 N . SER A 77 ? 12.81057 -1.64951 11.85999 1.000 11.35904 N ? A ? 77 N 1
   ATOM 1403 CA . SER A 77 ? 13.97836 -1.52567 12.69974 1.000 13.90833 C ? A ? 77 CA 1
   ATOM 1404 C . SER A 77 ? 14.15849 -0.06896 13.10360 1.000 10.57151 C ? A ? 77 C 1
   ATOM 1405 O . SER A 77 ? 13.62497 0.82446 12.46385 1.000 9.24262 O ? A ? 77 O 1
   ATOM 1406 H . SER A 77 ? 12.97660 -1.83262 11.03627 1.000 13.66773 H ? A ? 77 H 1
   ATOM 1407 HA . SER A 77 ? 13.88948 -2.04169 13.51627 1.000 16.72688 H ? A ? 77 HA 1
   ATOM 1408 CB A SER A 77 ? 15.21910 -2.00538 11.96896 0.452 14.92093 C ? A ? 77 CB 1
   ATOM 1409 OG A SER A 77 ? 15.45910 -1.19311 10.84971 0.452 18.52392 O ? A ? 77 OG 1
   ATOM 1410 HB2 A SER A 77 ? 15.98087 -1.95759 12.56755 0.452 17.94199 H ? A ? 77 HB2 1
   ATOM 1411 HB3 A SER A 77 ? 15.08384 -2.92031 11.67653 0.452 17.94199 H ? A ? 77 HB3 1
   ATOM 1412 HG A SER A 77 ? 15.23133 -0.40165 11.01497 0.452 22.26559 H ? A ? 77 HG 1
   ATOM 1413 CB B SER A 77 ? 15.18898 -2.06333 11.95233 0.548 14.95130 C ? A ? 77 CB 1
   ATOM 1414 OG B SER A 77 ? 14.99253 -3.46753 11.76539 0.548 17.44428 O ? A ? 77 OG 1
   ATOM 1415 HB2 B SER A 77 ? 15.26483 -1.62446 11.09062 0.548 17.97844 H ? A ? 77 HB2 1
   ATOM 1416 HB3 B SER A 77 ? 15.99211 -1.91043 12.47435 0.548 17.97844 H ? A ? 77 HB3 1
   ATOM 1417 HG B SER A 77 ? 14.30675 -3.60215 11.29935 0.548 20.97001 H ? A ? 77 HG 1
   ATOM 1418 N . PRO A 78 ? 14.93908 0.18542 14.16055 1.000 8.06929 N ? A ? 78 N 1
   ATOM 1419 CA . PRO A 78 ? 15.01955 1.57845 14.66078 1.000 9.76052 C ? A ? 78 CA 1
   ATOM 1420 C . PRO A 78 ? 15.47817 2.59114 13.62472 1.000 8.96535 C ? A ? 78 C 1
   ATOM 1421 O . PRO A 78 ? 15.03312 3.74643 13.65536 1.000 10.22736 O ? A ? 78 O 1
   ATOM 1422 CB . PRO A 78 ? 16.02408 1.47564 15.81881 1.000 10.76581 C ? A ? 78 CB 1
   ATOM 1423 CG . PRO A 78 ? 15.99756 0.06538 16.22586 1.000 9.89815 C ? A ? 78 CG 1
   ATOM 1424 CD . PRO A 78 ? 15.56917 -0.78738 15.05338 1.000 11.53520 C ? A ? 78 CD 1
   ATOM 1425 HA . PRO A 78 ? 14.14775 1.84087 14.99544 1.000 11.74951 H ? A ? 78 HA 1
   ATOM 1426 HB2 . PRO A 78 ? 16.90804 1.73120 15.51189 1.000 12.95586 H ? A ? 78 HB2 1
   ATOM 1427 HB3 . PRO A 78 ? 15.74653 2.05208 16.54792 1.000 12.95586 H ? A ? 78 HB3 1
   ATOM 1428 HG2 . PRO A 78 ? 16.88657 -0.19320 16.51515 1.000 11.91466 H ? A ? 78 HG2 1
   ATOM 1429 HG3 . PRO A 78 ? 15.36795 -0.03724 16.95659 1.000 11.91466 H ? A ? 78 HG3 1
   ATOM 1430 HD2 . PRO A 78 ? 16.33527 -1.20372 14.62836 1.000 13.87912 H ? A ? 78 HD2 1
   ATOM 1431 HD3 . PRO A 78 ? 14.93431 -1.46615 15.33111 1.000 13.87912 H ? A ? 78 HD3 1
   ATOM 1432 N . ASP A 79 ? 16.40840 2.22820 12.73931 1.000 12.84785 N ? A ? 79 N 1
   ATOM 1433 CA . ASP A 79 ? 16.89876 3.20080 11.77030 1.000 13.45318 C ? A ? 79 CA 1
   ATOM 1434 C . ASP A 79 ? 15.81114 3.62511 10.78754 1.000 12.47141 C ? A ? 79 C 1
   ATOM 1435 O . ASP A 79 ? 15.94848 4.66264 10.14223 1.000 16.47268 O ? A ? 79 O 1
   ATOM 1436 CB . ASP A 79 ? 18.13424 2.65913 11.01461 1.000 16.08282 C ? A ? 79 CB 1
   ATOM 1437 CG . ASP A 79 ? 17.85051 1.41088 10.18176 1.000 29.20856 C ? A ? 79 CG 1
   ATOM 1438 OD1 . ASP A 79 ? 16.93588 0.63594 10.54293 1.000 35.00206 O ? A ? 79 OD1 1
   ATOM 1439 OD2 . ASP A 79 ? 18.54828 1.21194 9.15895 1.000 37.37002 O ? A ? 79 OD2 1
   ATOM 1440 H . ASP A 79 ? 16.76069 1.44574 12.68235 1.000 15.45430 H ? A ? 79 H 1
   ATOM 1441 HA . ASP A 79 ? 17.19297 3.99080 12.25013 1.000 16.18070 H ? A ? 79 HA 1
   ATOM 1442 HB2 . ASP A 79 ? 18.45874 3.34774 10.41343 1.000 19.33626 H ? A ? 79 HB2 1
   ATOM 1443 HB3 . ASP A 79 ? 18.82088 2.43282 11.66130 1.000 19.33626 H ? A ? 79 HB3 1
   ATOM 1444 N . TYR A 80 ? 14.75214 2.83792 10.65756 1.000 10.06099 N ? A ? 80 N 1
   ATOM 1445 CA . TYR A 80 ? 13.61453 3.12825 9.78227 1.000 7.81771 C ? A ? 80 CA 1
   ATOM 1446 C . TYR A 80 ? 12.43681 3.67776 10.57672 1.000 10.52363 C ? A ? 80 C 1
   ATOM 1447 O . TYR A 80 ? 11.34452 3.89772 10.01904 1.000 9.03952 O ? A ? 80 O 1
   ATOM 1448 CB . TYR A 80 ? 13.27305 1.85600 8.98368 1.000 11.23666 C ? A ? 80 CB 1
   ATOM 1449 CG . TYR A 80 ? 14.08458 1.71459 7.66640 1.000 13.77097 C ? A ? 80 CG 1
   ATOM 1450 CD1 . TYR A 80 ? 15.44090 1.88953 7.67166 1.000 15.23762 C ? A ? 80 CD1 1
   ATOM 1451 CD2 . TYR A 80 ? 13.48535 1.42261 6.43341 1.000 16.46663 C ? A ? 80 CD2 1
   ATOM 1452 CE1 . TYR A 80 ? 16.17282 1.77067 6.55177 1.000 17.45049 C ? A ? 80 CE1 1
   ATOM 1453 CE2 . TYR A 80 ? 14.23162 1.34913 5.26353 1.000 16.69317 C ? A ? 80 CE2 1
   ATOM 1454 CZ . TYR A 80 ? 15.57735 1.50114 5.35461 1.000 17.39210 C ? A ? 80 CZ 1
   ATOM 1455 OH . TYR A 80 ? 16.35377 1.37186 4.25093 1.000 21.64710 O ? A ? 80 OH 1
   ATOM 1456 H . TYR A 80 ? 14.66114 2.09609 11.08302 1.000 12.11006 H ? A ? 80 H 1
   ATOM 1457 HA . TYR A 80 ? 13.83069 3.80752 9.12443 1.000 9.41813 H ? A ? 80 HA 1
   ATOM 1458 HB2 . TYR A 80 ? 13.46314 1.08050 9.53448 1.000 13.52088 H ? A ? 80 HB2 1
   ATOM 1459 HB3 . TYR A 80 ? 12.33136 1.87551 8.75189 1.000 13.52088 H ? A ? 80 HB3 1
   ATOM 1460 HD1 . TYR A 80 ? 15.86767 2.09622 8.47169 1.000 18.32202 H ? A ? 80 HD1 1
   ATOM 1461 HD2 . TYR A 80 ? 12.56788 1.27477 6.39747 1.000 19.79684 H ? A ? 80 HD2 1
   ATOM 1462 HE1 . TYR A 80 ? 17.09622 1.87332 6.59308 1.000 20.97746 H ? A ? 80 HE1 1
   ATOM 1463 HE2 . TYR A 80 ? 13.82115 1.20020 4.44241 1.000 20.06868 H ? A ? 80 HE2 1
   ATOM 1464 HH . TYR A 80 ? 15.90911 1.55908 3.56331 1.000 26.01340 H ? A ? 80 HH 1
   ATOM 1465 N A ALA A 81 ? 12.63754 3.92756 11.86924 0.362 10.74942 N ? A ? 81 N 1
   ATOM 1466 CA A ALA A 81 ? 11.61701 4.47574 12.74854 0.362 9.97316 C ? A ? 81 CA 1
   ATOM 1467 C A ALA A 81 ? 12.15824 5.73081 13.42297 0.362 8.48221 C ? A ? 81 C 1
   ATOM 1468 O A ALA A 81 ? 12.37878 6.73810 12.74661 0.362 11.56173 O ? A ? 81 O 1
   ATOM 1469 CB A ALA A 81 ? 11.18288 3.43206 13.77239 0.362 9.09144 C ? A ? 81 CB 1
   ATOM 1470 H A ALA A 81 ? 13.38329 3.78207 12.27209 0.362 12.93619 H ? A ? 81 H 1
   ATOM 1471 HA A ALA A 81 ? 10.82571 4.71838 12.24271 0.362 12.00467 H ? A ? 81 HA 1
   ATOM 1472 HB1 A ALA A 81 ? 10.53666 3.83122 14.37570 0.362 10.94660 H ? A ? 81 HB1 1
   ATOM 1473 HB2 A ALA A 81 ? 10.78153 2.68134 13.30737 0.362 10.94660 H ? A ? 81 HB2 1
   ATOM 1474 HB3 A ALA A 81 ? 11.96075 3.13528 14.27012 0.362 10.94660 H ? A ? 81 HB3 1
   ATOM 1475 N B ALA A 81 ? 12.63502 3.92166 11.86876 0.638 10.92634 N ? A ? 81 N 1
   ATOM 1476 CA B ALA A 81 ? 11.61771 4.47203 12.75011 0.638 9.86938 C ? A ? 81 CA 1
   ATOM 1477 C B ALA A 81 ? 12.18584 5.71699 13.41853 0.638 7.97415 C ? A ? 81 C 1
   ATOM 1478 O B ALA A 81 ? 12.47681 6.69317 12.72578 0.638 11.59532 O ? A ? 81 O 1
   ATOM 1479 CB B ALA A 81 ? 11.17912 3.42863 13.76822 0.638 9.19452 C ? A ? 81 CB 1
   ATOM 1480 H B ALA A 81 ? 13.37925 3.77052 12.27235 0.638 13.14848 H ? A ? 81 H 1
   ATOM 1481 HA B ALA A 81 ? 10.82085 4.72124 12.25634 0.638 11.88014 H ? A ? 81 HA 1
   ATOM 1482 HB1 B ALA A 81 ? 10.53202 3.82769 14.37064 0.638 11.07030 H ? A ? 81 HB1 1
   ATOM 1483 HB2 B ALA A 81 ? 10.77749 2.67996 13.30015 0.638 11.07030 H ? A ? 81 HB2 1
   ATOM 1484 HB3 B ALA A 81 ? 11.95489 3.12890 14.26746 0.638 11.07030 H ? A ? 81 HB3 1
   ATOM 1485 N . TYR A 82 ? 12.40760 5.68169 14.73316 1.000 9.12296 N ? A ? 82 N 1
   ATOM 1486 CA . TYR A 82 ? 12.84238 6.84860 15.49411 1.000 7.58725 C ? A ? 82 CA 1
   ATOM 1487 C . TYR A 82 ? 14.27475 6.74969 16.00147 1.000 8.08693 C ? A ? 82 C 1
   ATOM 1488 O . TYR A 82 ? 14.73102 7.64653 16.71381 1.000 9.40879 O ? A ? 82 O 1
   ATOM 1489 CB . TYR A 82 ? 11.86635 7.10978 16.65172 1.000 9.48730 C ? A ? 82 CB 1
   ATOM 1490 CG . TYR A 82 ? 10.46147 7.35908 16.14581 1.000 9.65868 C ? A ? 82 CG 1
   ATOM 1491 CD1 . TYR A 82 ? 10.09833 8.58389 15.57958 1.000 10.05598 C ? A ? 82 CD1 1
   ATOM 1492 CD2 . TYR A 82 ? 9.50317 6.35274 16.19351 1.000 8.99703 C ? A ? 82 CD2 1
   ATOM 1493 CE1 . TYR A 82 ? 8.82861 8.77581 15.08528 1.000 11.07885 C ? A ? 82 CE1 1
   ATOM 1494 CE2 . TYR A 82 ? 8.21855 6.55246 15.71067 1.000 7.54960 C ? A ? 82 CE2 1
   ATOM 1495 CZ . TYR A 82 ? 7.89792 7.76477 15.16279 1.000 11.76850 C ? A ? 82 CZ 1
   ATOM 1496 OH . TYR A 82 ? 6.64835 7.99659 14.66991 1.000 9.25800 O ? A ? 82 OH 1
   ATOM 1497 HA . TYR A 82 ? 12.81938 7.61886 14.90499 1.000 9.14158 H ? A ? 82 HA 1
   ATOM 1498 HB2 . TYR A 82 ? 11.84802 6.33611 17.23653 1.000 11.42164 H ? A ? 82 HB2 1
   ATOM 1499 HB3 . TYR A 82 ? 12.15685 7.89233 17.14581 1.000 11.42164 H ? A ? 82 HB3 1
   ATOM 1500 HD1 . TYR A 82 ? 10.71958 9.27461 15.53649 1.000 12.10406 H ? A ? 82 HD1 1
   ATOM 1501 HD2 . TYR A 82 ? 9.72875 5.52714 16.55740 1.000 10.83332 H ? A ? 82 HD2 1
   ATOM 1502 HE1 . TYR A 82 ? 8.59900 9.58972 14.69832 1.000 13.33150 H ? A ? 82 HE1 1
   ATOM 1503 HE2 . TYR A 82 ? 7.58503 5.87329 15.75847 1.000 9.09640 H ? A ? 82 HE2 1
   ATOM 1504 HH . TYR A 82 ? 6.07254 7.64277 15.16876 1.000 11.14648 H ? A ? 82 HH 1
   ATOM 1505 H A TYR A 82 ? 12.32993 4.96985 15.20944 0.362 10.98443 H ? A ? 82 H 1
   ATOM 1506 H B TYR A 82 ? 12.31025 4.97631 15.21540 0.638 10.98443 H ? A ? 82 H 1
   ATOM 1507 N . GLY A 83 ? 15.01465 5.71653 15.60129 1.000 10.85606 N ? A ? 83 N 1
   ATOM 1508 CA . GLY A 83 ? 16.45649 5.69273 15.75954 1.000 10.05794 C ? A ? 83 CA 1
   ATOM 1509 C . GLY A 83 ? 16.93979 5.80296 17.19030 1.000 12.56775 C ? A ? 83 C 1
   ATOM 1510 O . GLY A 83 ? 16.30901 5.34437 18.14309 1.000 9.93945 O ? A ? 83 O 1
   ATOM 1511 H . GLY A 83 ? 14.69726 5.00861 15.23018 1.000 13.06415 H ? A ? 83 H 1
   ATOM 1512 HA2 . GLY A 83 ? 16.79640 4.85991 15.39653 1.000 12.10641 H ? A ? 83 HA2 1
   ATOM 1513 HA3 . GLY A 83 ? 16.83718 6.43299 15.26156 1.000 12.10641 H ? A ? 83 HA3 1
   ATOM 1514 N A ALA A 84 ? 18.11500 6.41118 17.33462 0.655 12.05221 N ? A ? 84 N 1
   ATOM 1515 CA A ALA A 84 ? 18.74857 6.54440 18.63569 0.655 11.50346 C ? A ? 84 CA 1
   ATOM 1516 C A ALA A 84 ? 18.09348 7.60542 19.49617 0.655 11.39890 C ? A ? 84 C 1
   ATOM 1517 O A ALA A 84 ? 18.27389 7.58240 20.71884 0.655 12.87918 O ? A ? 84 O 1
   ATOM 1518 CB A ALA A 84 ? 20.22758 6.86842 18.44778 0.655 14.36800 C ? A ? 84 CB 1
   ATOM 1519 H A ALA A 84 ? 18.56609 6.75622 16.68881 0.655 14.49953 H ? A ? 84 H 1
   ATOM 1520 HA A ALA A 84 ? 18.68119 5.70209 19.11200 0.655 13.84104 H ? A ? 84 HA 1
   ATOM 1521 HB1 A ALA A 84 ? 20.64417 6.95915 19.31905 0.655 17.27848 H ? A ? 84 HB1 1
   ATOM 1522 HB2 A ALA A 84 ? 20.64841 6.14777 17.95334 0.655 17.27848 H ? A ? 84 HB2 1
   ATOM 1523 HB3 A ALA A 84 ? 20.30856 7.69955 17.95425 0.655 17.27848 H ? A ? 84 HB3 1
   ATOM 1524 N B ALA A 84 ? 18.11726 6.41274 17.33606 0.345 12.09866 N ? A ? 84 N 1
   ATOM 1525 CA B ALA A 84 ? 18.74374 6.53936 18.64380 0.345 11.53479 C ? A ? 84 CA 1
   ATOM 1526 C B ALA A 84 ? 18.07936 7.60141 19.50091 0.345 11.34165 C ? A ? 84 C 1
   ATOM 1527 O B ALA A 84 ? 18.25698 7.59188 20.72373 0.345 12.85900 O ? A ? 84 O 1
   ATOM 1528 CB B ALA A 84 ? 20.22743 6.85919 18.47439 0.345 14.38369 C ? A ? 84 CB 1
   ATOM 1529 H B ALA A 84 ? 18.57044 6.75987 16.69285 0.345 14.55528 H ? A ? 84 H 1
   ATOM 1530 HA B ALA A 84 ? 18.66778 5.69336 19.11222 0.345 13.87863 H ? A ? 84 HA 1
   ATOM 1531 HB1 B ALA A 84 ? 20.63390 6.94580 19.35086 0.345 17.29731 H ? A ? 84 HB1 1
   ATOM 1532 HB2 B ALA A 84 ? 20.65169 6.13863 17.98277 0.345 17.29731 H ? A ? 84 HB2 1
   ATOM 1533 HB3 B ALA A 84 ? 20.31713 7.69155 17.98446 0.345 17.29731 H ? A ? 84 HB3 1
   ATOM 1534 N . THR A 85 ? 17.30876 8.50175 18.88891 1.000 11.19396 N ? A ? 85 N 1
   ATOM 1535 CA . THR A 85 ? 16.64284 9.56439 19.61262 1.000 12.59916 C ? A ? 85 CA 1
   ATOM 1536 C . THR A 85 ? 15.36220 9.08057 20.27241 1.000 15.43560 C ? A ? 85 C 1
   ATOM 1537 O . THR A 85 ? 15.03749 9.51431 21.37531 1.000 14.44287 O ? A ? 85 O 1
   ATOM 1538 CB . THR A 85 ? 16.31725 10.71817 18.66024 1.000 19.55854 C ? A ? 85 CB 1
   ATOM 1539 OG1 . THR A 85 ? 17.51763 11.19753 18.03190 1.000 30.99493 O ? A ? 85 OG1 1
   ATOM 1540 CG2 . THR A 85 ? 15.65673 11.85648 19.43074 1.000 18.79576 C ? A ? 85 CG2 1
   ATOM 1541 HA . THR A 85 ? 17.24298 9.88570 20.30362 1.000 15.15587 H ? A ? 85 HA 1
   ATOM 1542 HB . THR A 85 ? 15.70790 10.40850 17.97198 1.000 23.50713 H ? A ? 85 HB 1
   ATOM 1543 HG1 . THR A 85 ? 17.33160 11.80625 17.48376 1.000 37.23079 H ? A ? 85 HG1 1
   ATOM 1544 HG21 . THR A 85 ? 15.60824 12.64949 18.87425 1.000 22.59179 H ? A ? 85 HG21 1
   ATOM 1545 HG22 . THR A 85 ? 14.75872 11.60147 19.69429 1.000 22.59179 H ? A ? 85 HG22 1
   ATOM 1546 HG23 . THR A 85 ? 16.17213 12.06137 20.22652 1.000 22.59179 H ? A ? 85 HG23 1
   ATOM 1547 H A THR A 85 ? 17.14828 8.50942 18.04405 0.655 13.46964 H ? A ? 85 H 1
   ATOM 1548 H B THR A 85 ? 17.15728 8.51376 18.04244 0.345 13.46964 H ? A ? 85 H 1
   ATOM 1549 N . GLY A 86 ? 14.60850 8.21011 19.59345 1.000 10.48645 N ? A ? 86 N 1
   ATOM 1550 CA . GLY A 86 ? 13.29163 7.84072 20.04444 1.000 8.91216 C ? A ? 86 CA 1
   ATOM 1551 C . GLY A 86 ? 12.29257 8.90511 19.67960 1.000 12.32853 C ? A ? 86 C 1
   ATOM 1552 O . GLY A 86 ? 12.58457 9.86048 18.94598 1.000 10.80984 O ? A ? 86 O 1
   ATOM 1553 H . GLY A 86 ? 14.85055 7.82354 18.86435 1.000 12.62062 H ? A ? 86 H 1
   ATOM 1554 HA2 . GLY A 86 ? 13.02508 7.00497 19.63045 1.000 10.73148 H ? A ? 86 HA2 1
   ATOM 1555 HA3 . GLY A 86 ? 13.29369 7.72928 21.00802 1.000 10.73148 H ? A ? 86 HA3 1
   ATOM 1556 N . HIS A 87 ? 11.05537 8.69302 20.12530 1.000 9.41981 N ? A ? 87 N 1
   ATOM 1557 CA . HIS A 87 ? 10.04125 9.71126 19.91654 1.000 11.05854 C ? A ? 87 CA 1
   ATOM 1558 C . HIS A 87 ? 9.62709 10.21818 21.28713 1.000 10.80313 C ? A ? 87 C 1
   ATOM 1559 O . HIS A 87 ? 9.11365 9.43663 22.09496 1.000 12.14535 O ? A ? 87 O 1
   ATOM 1560 CB . HIS A 87 ? 8.81572 9.24177 19.15088 1.000 9.99428 C ? A ? 87 CB 1
   ATOM 1561 CG . HIS A 87 ? 7.73179 10.27637 19.11605 1.000 11.51822 C ? A ? 87 CG 1
   ATOM 1562 ND1 . HIS A 87 ? 7.70830 11.30494 18.19830 1.000 12.70715 N ? A ? 87 ND1 1
   ATOM 1563 CD2 . HIS A 87 ? 6.65995 10.46612 19.92150 1.000 12.59758 C ? A ? 87 CD2 1
   ATOM 1564 CE1 . HIS A 87 ? 6.65389 12.06613 18.41930 1.000 12.36764 C ? A ? 87 CE1 1
   ATOM 1565 NE2 . HIS A 87 ? 6.00570 11.58863 19.46785 1.000 13.13688 N ? A ? 87 NE2 1
   ATOM 1566 H . HIS A 87 ? 10.79153 7.98660 20.53877 1.000 11.34065 H ? A ? 87 H 1
   ATOM 1567 HA . HIS A 87 ? 10.43027 10.41097 19.36886 1.000 13.30712 H ? A ? 87 HA 1
   ATOM 1568 HB2 . HIS A 87 ? 9.07071 9.04116 18.23675 1.000 12.03002 H ? A ? 87 HB2 1
   ATOM 1569 HB3 . HIS A 87 ? 8.46030 8.44681 19.57823 1.000 12.03002 H ? A ? 87 HB3 1
   ATOM 1570 HD1 . HIS A 87 ? 8.29063 11.43073 17.57808 1.000 15.28547 H ? A ? 87 HD1 1
   ATOM 1571 HD2 . HIS A 87 ? 6.41243 9.93721 20.64530 1.000 15.15398 H ? A ? 87 HD2 1
   ATOM 1572 HE1 . HIS A 87 ? 6.40810 12.81237 17.92169 1.000 14.87804 H ? A ? 87 HE1 1
   ATOM 1573 N . PRO A 88 ? 9.87823 11.48892 21.58951 1.000 11.31385 N ? A ? 88 N 1
   ATOM 1574 CA . PRO A 88 ? 9.81895 11.93371 22.99135 1.000 14.65799 C ? A ? 88 CA 1
   ATOM 1575 C . PRO A 88 ? 8.58247 11.48108 23.75332 1.000 15.79225 C ? A ? 88 C 1
   ATOM 1576 O . PRO A 88 ? 7.45233 11.74143 23.33702 1.000 10.75384 O ? A ? 88 O 1
   ATOM 1577 CB . PRO A 88 ? 9.87678 13.45980 22.85481 1.000 14.17415 C ? A ? 88 CB 1
   ATOM 1578 CG . PRO A 88 ? 10.75645 13.68126 21.65073 1.000 13.37801 C ? A ? 88 CG 1
   ATOM 1579 CD . PRO A 88 ? 10.50770 12.49031 20.71209 1.000 14.14152 C ? A ? 88 CD 1
   ATOM 1580 HA . PRO A 88 ? 10.59517 11.60250 23.46956 1.000 17.62647 H ? A ? 88 HA 1
   ATOM 1581 HB2 . PRO A 88 ? 8.98663 13.81695 22.71003 1.000 17.04586 H ? A ? 88 HB2 1
   ATOM 1582 HB3 . PRO A 88 ? 10.26636 13.85269 23.65153 1.000 17.04586 H ? A ? 88 HB3 1
   ATOM 1583 HG2 . PRO A 88 ? 10.51260 14.51454 21.21819 1.000 16.09049 H ? A ? 88 HG2 1
   ATOM 1584 HG3 . PRO A 88 ? 11.68570 13.71059 21.92735 1.000 16.09049 H ? A ? 88 HG3 1
   ATOM 1585 HD2 . PRO A 88 ? 9.91041 12.73970 19.98963 1.000 17.00671 H ? A ? 88 HD2 1
   ATOM 1586 HD3 . PRO A 88 ? 11.34344 12.15556 20.35102 1.000 17.00671 H ? A ? 88 HD3 1
   ATOM 1587 N A GLY A 89 ? 8.80761 10.77941 24.87141 0.352 14.46546 N ? A ? 89 N 1
   ATOM 1588 CA A GLY A 89 ? 7.76239 10.39615 25.78968 0.352 15.39515 C ? A ? 89 CA 1
   ATOM 1589 C A GLY A 89 ? 7.08358 9.08025 25.48479 0.352 13.68099 C ? A ? 89 C 1
   ATOM 1590 O A GLY A 89 ? 6.49309 8.48177 26.38978 0.352 12.70755 O ? A ? 89 O 1
   ATOM 1591 H A GLY A 89 ? 9.58723 10.51125 25.11612 0.352 17.39543 H ? A ? 89 H 1
   ATOM 1592 HA2 A GLY A 89 ? 8.14207 10.33141 26.67994 0.352 18.51106 H ? A ? 89 HA2 1
   ATOM 1593 HA3 A GLY A 89 ? 7.08051 11.08602 25.78657 0.352 18.51106 H ? A ? 89 HA3 1
   ATOM 1594 N B GLY A 89 ? 8.79841 10.76880 24.86407 0.648 14.44508 N ? A ? 89 N 1
   ATOM 1595 CA B GLY A 89 ? 7.74489 10.40676 25.78704 0.648 15.42885 C ? A ? 89 CA 1
   ATOM 1596 C B GLY A 89 ? 6.88848 9.22973 25.38341 0.648 13.29870 C ? A ? 89 C 1
   ATOM 1597 O B GLY A 89 ? 5.96118 8.88385 26.12382 0.648 12.42019 O ? A ? 89 O 1
   ATOM 1598 H B GLY A 89 ? 9.57229 10.47985 25.10326 0.648 17.37098 H ? A ? 89 H 1
   ATOM 1599 HA2 B GLY A 89 ? 8.14774 10.19370 26.64332 0.648 18.55150 H ? A ? 89 HA2 1
   ATOM 1600 HA3 B GLY A 89 ? 7.15718 11.17074 25.89589 0.648 18.55150 H ? A ? 89 HA3 1
   ATOM 1601 N . ILE A 90 ? 7.16993 8.59634 24.24532 1.000 11.98511 N ? A ? 90 N 1
   ATOM 1602 CA . ILE A 90 ? 6.41179 7.44296 23.79122 1.000 12.65130 C ? A ? 90 CA 1
   ATOM 1603 C . ILE A 90 ? 7.30955 6.28644 23.35829 1.000 11.00249 C ? A ? 90 C 1
   ATOM 1604 O . ILE A 90 ? 7.09808 5.14216 23.77760 1.000 14.54460 O ? A ? 90 O 1
   ATOM 1605 CB . ILE A 90 ? 5.48497 7.82125 22.62375 1.000 14.61059 C ? A ? 90 CB 1
   ATOM 1606 CG1 . ILE A 90 ? 4.73033 9.12630 22.89021 1.000 19.08626 C ? A ? 90 CG1 1
   ATOM 1607 CG2 . ILE A 90 ? 4.53169 6.65261 22.35835 1.000 16.45780 C ? A ? 90 CG2 1
   ATOM 1608 CD1 . ILE A 90 ? 3.76027 9.04676 24.00909 1.000 22.80695 C ? A ? 90 CD1 1
   ATOM 1609 HA . ILE A 90 ? 5.88918 7.13883 24.54970 1.000 15.21844 H ? A ? 90 HA 1
   ATOM 1610 HB . ILE A 90 ? 6.02236 7.98505 21.83301 1.000 17.56959 H ? A ? 90 HB 1
   ATOM 1611 HG12 . ILE A 90 ? 5.37414 9.81868 23.10705 1.000 22.94039 H ? A ? 90 HG12 1
   ATOM 1612 HG13 . ILE A 90 ? 4.23834 9.36949 22.09039 1.000 22.94039 H ? A ? 90 HG13 1
   ATOM 1613 HG21 . ILE A 90 ? 3.84969 6.93777 21.73029 1.000 19.78625 H ? A ? 90 HG21 1
   ATOM 1614 HG22 . ILE A 90 ? 5.03569 5.91229 21.98580 1.000 19.78625 H ? A ? 90 HG22 1
   ATOM 1615 HG23 . ILE A 90 ? 4.11989 6.38476 23.19477 1.000 19.78625 H ? A ? 90 HG23 1
   ATOM 1616 HD11 . ILE A 90 ? 3.54401 9.94517 24.30404 1.000 27.40522 H ? A ? 90 HD11 1
   ATOM 1617 HD12 . ILE A 90 ? 2.95781 8.59793 23.70004 1.000 27.40522 H ? A ? 90 HD12 1
   ATOM 1618 HD13 . ILE A 90 ? 4.15926 8.54637 24.73801 1.000 27.40522 H ? A ? 90 HD13 1
   ATOM 1619 H A ILE A 90 ? 7.67645 8.93248 23.63701 0.352 14.41901 H ? A ? 90 H 1
   ATOM 1620 H B ILE A 90 ? 7.80646 8.82258 23.71311 0.648 14.41901 H ? A ? 90 H 1
   ATOM 1621 N . ILE A 91 ? 8.30265 6.56459 22.53915 1.000 8.53572 N ? A ? 91 N 1
   ATOM 1622 CA . ILE A 91 ? 9.13195 5.52024 21.93371 1.000 12.09176 C ? A ? 91 CA 1
   ATOM 1623 C . ILE A 91 ? 10.56113 5.70962 22.42670 1.000 11.03820 C ? A ? 91 C 1
   ATOM 1624 O . ILE A 91 ? 11.14531 6.76657 22.20027 1.000 12.30213 O ? A ? 91 O 1
   ATOM 1625 CB . ILE A 91 ? 9.10076 5.56435 20.39655 1.000 9.07619 C ? A ? 91 CB 1
   ATOM 1626 CG1 . ILE A 91 ? 7.66378 5.47317 19.86472 1.000 8.17351 C ? A ? 91 CG1 1
   ATOM 1627 CG2 . ILE A 91 ? 10.02219 4.47406 19.80060 1.000 12.83675 C ? A ? 91 CG2 1
   ATOM 1628 CD1 . ILE A 91 ? 6.92881 4.24555 20.24292 1.000 13.47832 C ? A ? 91 CD1 1
   ATOM 1629 H . ILE A 91 ? 8.52618 7.36265 22.30951 1.000 10.27975 H ? A ? 91 H 1
   ATOM 1630 HA . ILE A 91 ? 8.80723 4.65479 22.22775 1.000 14.54699 H ? A ? 91 HA 1
   ATOM 1631 HB . ILE A 91 ? 9.44687 6.42393 20.10980 1.000 10.92831 H ? A ? 91 HB 1
   ATOM 1632 HG12 . ILE A 91 ? 7.16169 6.22892 20.20772 1.000 9.84509 H ? A ? 91 HG12 1
   ATOM 1633 HG13 . ILE A 91 ? 7.69309 5.50660 18.89574 1.000 9.84509 H ? A ? 91 HG13 1
   ATOM 1634 HG21 . ILE A 91 ? 9.84962 4.40034 18.84892 1.000 15.44098 H ? A ? 91 HG21 1
   ATOM 1635 HG22 . ILE A 91 ? 10.94693 4.72554 19.95058 1.000 15.44098 H ? A ? 91 HG22 1
   ATOM 1636 HG23 . ILE A 91 ? 9.83433 3.62854 20.23730 1.000 15.44098 H ? A ? 91 HG23 1
   ATOM 1637 HD11 . ILE A 91 ? 6.06403 4.24722 19.80355 1.000 16.21087 H ? A ? 91 HD11 1
   ATOM 1638 HD12 . ILE A 91 ? 7.44122 3.47143 19.96170 1.000 16.21087 H ? A ? 91 HD12 1
   ATOM 1639 HD13 . ILE A 91 ? 6.81070 4.23212 21.20561 1.000 16.21087 H ? A ? 91 HD13 1
   ATOM 1640 N A PRO A 92 ? 11.17065 4.70570 23.05870 0.534 8.26857 N ? A ? 92 N 1
   ATOM 1641 CA A PRO A 92 ? 12.54354 4.86843 23.56601 0.534 10.81856 C ? A ? 92 CA 1
   ATOM 1642 C A PRO A 92 ? 13.57932 4.74962 22.47100 0.534 9.82032 C ? A ? 92 C 1
   ATOM 1643 O A PRO A 92 ? 13.27835 4.30915 21.34421 0.534 9.74207 O ? A ? 92 O 1
   ATOM 1644 CB A PRO A 92 ? 12.67612 3.71872 24.57535 0.534 11.61618 C ? A ? 92 CB 1
   ATOM 1645 CG A PRO A 92 ? 11.78061 2.65387 24.02846 0.534 12.83641 C ? A ? 92 CG 1
   ATOM 1646 CD A PRO A 92 ? 10.62088 3.37685 23.39152 0.534 9.58021 C ? A ? 92 CD 1
   ATOM 1647 HA A PRO A 92 ? 12.64109 5.72755 24.00567 0.534 13.01916 H ? A ? 92 HA 1
   ATOM 1648 HB2 A PRO A 92 ? 13.59654 3.41554 24.61784 0.534 13.97629 H ? A ? 92 HB2 1
   ATOM 1649 HB3 A PRO A 92 ? 12.38144 4.00853 25.45289 0.534 13.97629 H ? A ? 92 HB3 1
   ATOM 1650 HG2 A PRO A 92 ? 12.26145 2.12870 23.36976 0.534 15.44057 H ? A ? 92 HG2 1
   ATOM 1651 HG3 A PRO A 92 ? 11.47446 2.08188 24.74956 0.534 15.44057 H ? A ? 92 HG3 1
   ATOM 1652 HD2 A PRO A 92 ? 10.32834 2.91617 22.58959 0.534 11.53313 H ? A ? 92 HD2 1
   ATOM 1653 HD3 A PRO A 92 ? 9.88274 3.45769 24.01564 0.534 11.53313 H ? A ? 92 HD3 1
   ATOM 1654 N B PRO A 92 ? 11.16437 4.72041 23.08669 0.466 8.55171 N ? A ? 92 N 1
   ATOM 1655 CA B PRO A 92 ? 12.54466 4.89159 23.58226 0.466 10.63218 C ? A ? 92 CA 1
   ATOM 1656 C B PRO A 92 ? 13.57971 4.72901 22.49058 0.466 9.73760 C ? A ? 92 C 1
   ATOM 1657 O B PRO A 92 ? 13.27860 4.24096 21.38378 0.466 9.77529 O ? A ? 92 O 1
   ATOM 1658 CB B PRO A 92 ? 12.67527 3.78371 24.63996 0.466 11.63470 C ? A ? 92 CB 1
   ATOM 1659 CG B PRO A 92 ? 11.68928 2.74405 24.22580 0.466 12.71678 C ? A ? 92 CG 1
   ATOM 1660 CD B PRO A 92 ? 10.54993 3.47648 23.58824 0.466 9.55966 C ? A ? 92 CD 1
   ATOM 1661 HA B PRO A 92 ? 12.64778 5.76711 23.98690 0.466 12.79549 H ? A ? 92 HA 1
   ATOM 1662 HB2 B PRO A 92 ? 13.57773 3.42809 24.63714 0.466 13.99852 H ? A ? 92 HB2 1
   ATOM 1663 HB3 B PRO A 92 ? 12.46059 4.13688 25.51750 0.466 13.99852 H ? A ? 92 HB3 1
   ATOM 1664 HG2 B PRO A 92 ? 12.10304 2.13721 23.59220 0.466 15.29702 H ? A ? 92 HG2 1
   ATOM 1665 HG3 B PRO A 92 ? 11.38665 2.25345 25.00595 0.466 15.29702 H ? A ? 92 HG3 1
   ATOM 1666 HD2 B PRO A 92 ? 10.17620 2.95973 22.85735 0.466 11.50848 H ? A ? 92 HD2 1
   ATOM 1667 HD3 B PRO A 92 ? 9.86060 3.67373 24.24156 0.466 11.50848 H ? A ? 92 HD3 1
   ATOM 1668 N . PRO A 93 ? 14.81864 5.15040 22.74659 1.000 7.99530 N ? A ? 93 N 1
   ATOM 1669 CA . PRO A 93 ? 15.92165 4.84847 21.84882 1.000 9.06650 C ? A ? 93 CA 1
   ATOM 1670 C . PRO A 93 ? 15.95145 3.38740 21.42565 1.000 9.32991 C ? A ? 93 C 1
   ATOM 1671 O . PRO A 93 ? 15.69063 2.46566 22.21727 1.000 9.76132 O ? A ? 93 O 1
   ATOM 1672 CB . PRO A 93 ? 17.16010 5.21190 22.67363 1.000 9.69335 C ? A ? 93 CB 1
   ATOM 1673 CG . PRO A 93 ? 16.67448 6.36929 23.55593 1.000 9.84937 C ? A ? 93 CG 1
   ATOM 1674 CD . PRO A 93 ? 15.26149 5.96966 23.90869 1.000 12.74397 C ? A ? 93 CD 1
   ATOM 1675 HA . PRO A 93 ? 15.86219 5.40818 21.05882 1.000 10.91668 H ? A ? 93 HA 1
   ATOM 1676 HB2 . PRO A 93 ? 17.44165 4.45396 23.20950 1.000 11.66891 H ? A ? 93 HB2 1
   ATOM 1677 HB3 . PRO A 93 ? 17.88247 5.49226 22.09011 1.000 11.66891 H ? A ? 93 HB3 1
   ATOM 1678 HG2 . PRO A 93 ? 17.22816 6.44424 24.34885 1.000 11.85613 H ? A ? 93 HG2 1
   ATOM 1679 HG3 . PRO A 93 ? 16.69181 7.20230 23.05924 1.000 11.85613 H ? A ? 93 HG3 1
   ATOM 1680 HD2 . PRO A 93 ? 15.24747 5.44393 24.72374 1.000 15.32965 H ? A ? 93 HD2 1
   ATOM 1681 HD3 . PRO A 93 ? 14.69887 6.75334 24.00968 1.000 15.32965 H ? A ? 93 HD3 1
   ATOM 1682 N . HIS A 94 ? 16.33817 3.19997 20.17261 1.000 8.69987 N ? A ? 94 N 1
   ATOM 1683 CA . HIS A 94 ? 16.66139 1.91071 19.58157 1.000 10.85276 C ? A ? 94 CA 1
   ATOM 1684 C . HIS A 94 ? 15.48042 0.94945 19.63326 1.000 11.76908 C ? A ? 94 C 1
   ATOM 1685 O . HIS A 94 ? 15.65211 -0.25135 19.85885 1.000 13.56537 O ? A ? 94 O 1
   ATOM 1686 CB . HIS A 94 ? 17.89621 1.28372 20.24629 1.000 11.83431 C ? A ? 94 CB 1
   ATOM 1687 CG . HIS A 94 ? 18.51960 0.19290 19.42004 1.000 9.47502 C ? A ? 94 CG 1
   ATOM 1688 ND1 . HIS A 94 ? 19.17576 0.43868 18.23002 1.000 16.21285 N ? A ? 94 ND1 1
   ATOM 1689 CD2 . HIS A 94 ? 18.54928 -1.14456 19.59967 1.000 9.95283 C ? A ? 94 CD2 1
   ATOM 1690 CE1 . HIS A 94 ? 19.58928 -0.71111 17.71571 1.000 12.89965 C ? A ? 94 CE1 1
   ATOM 1691 NE2 . HIS A 94 ? 19.22720 -1.68491 18.52804 1.000 16.14938 N ? A ? 94 NE2 1
   ATOM 1692 H . HIS A 94 ? 16.42663 3.84379 19.60933 1.000 10.47672 H ? A ? 94 H 1
   ATOM 1693 HA . HIS A 94 ? 16.86634 2.06185 18.64559 1.000 13.06020 H ? A ? 94 HA 1
   ATOM 1694 HB2 . HIS A 94 ? 18.56405 1.97368 20.38353 1.000 14.23805 H ? A ? 94 HB2 1
   ATOM 1695 HB3 . HIS A 94 ? 17.63460 0.90105 21.09836 1.000 14.23805 H ? A ? 94 HB3 1
   ATOM 1696 HD2 . HIS A 94 ? 18.18110 -1.61384 20.31319 1.000 11.98028 H ? A ? 94 HD2 1
   ATOM 1697 HE1 . HIS A 94 ? 20.05554 -0.81359 16.91758 1.000 15.51646 H ? A ? 94 HE1 1
   ATOM 1698 HE2 . HIS A 94 ? 19.38795 -2.52126 18.40855 1.000 19.41614 H ? A ? 94 HE2 1
   ATOM 1699 N . ALA A 95 ? 14.27241 1.47686 19.39079 1.000 9.19672 N ? A ? 95 N 1
   ATOM 1700 CA . ALA A 95 ? 13.05623 0.66619 19.43208 1.000 13.31562 C ? A ? 95 CA 1
   ATOM 1701 C . ALA A 95 ? 12.68555 0.11314 18.06523 1.000 12.15393 C ? A ? 95 C 1
   ATOM 1702 O . ALA A 95 ? 12.57521 0.86275 17.08615 1.000 9.82241 O ? A ? 95 O 1
   ATOM 1703 CB . ALA A 95 ? 11.88500 1.47439 19.98912 1.000 9.56371 C ? A ? 95 CB 1
   ATOM 1704 H . ALA A 95 ? 14.13525 2.30414 19.20002 1.000 11.07294 H ? A ? 95 H 1
   ATOM 1705 HA . ALA A 95 ? 13.23336 -0.09177 20.01089 1.000 16.01563 H ? A ? 95 HA 1
   ATOM 1706 HB1 . ALA A 95 ? 11.09389 0.91335 20.00611 1.000 11.51333 H ? A ? 95 HB1 1
   ATOM 1707 HB2 . ALA A 95 ? 12.10238 1.76697 20.88804 1.000 11.51333 H ? A ? 95 HB2 1
   ATOM 1708 HB3 . ALA A 95 ? 11.73260 2.24391 19.41858 1.000 11.51333 H ? A ? 95 HB3 1
   ATOM 1709 N . THR A 96 ? 12.50387 -1.20831 18.00235 1.000 11.92490 N ? A ? 96 N 1
   ATOM 1710 CA . THR A 96 ? 11.91453 -1.84625 16.83011 1.000 11.52725 C ? A ? 96 CA 1
   ATOM 1711 C . THR A 96 ? 10.40235 -1.77607 16.97753 1.000 10.07705 C ? A ? 96 C 1
   ATOM 1712 O . THR A 96 ? 9.87518 -2.12600 18.02286 1.000 9.17712 O ? A ? 96 O 1
   ATOM 1713 CB . THR A 96 ? 12.36753 -3.30021 16.71758 1.000 11.62993 C ? A ? 96 CB 1
   ATOM 1714 OG1 . THR A 96 ? 13.78182 -3.33555 16.48386 1.000 12.21970 O ? A ? 96 OG1 1
   ATOM 1715 CG2 . THR A 96 ? 11.58623 -4.00872 15.60445 1.000 9.84234 C ? A ? 96 CG2 1
   ATOM 1716 H . THR A 96 ? 12.71544 -1.75724 18.62966 1.000 14.34676 H ? A ? 96 H 1
   ATOM 1717 HA . THR A 96 ? 12.19343 -1.39507 16.01798 1.000 13.86958 H ? A ? 96 HA 1
   ATOM 1718 HB . THR A 96 ? 12.18932 -3.78497 17.53865 1.000 13.99280 H ? A ? 96 HB 1
   ATOM 1719 HG1 . THR A 96 ? 14.16419 -2.74763 16.94618 1.000 14.70052 H ? A ? 96 HG1 1
   ATOM 1720 HG21 . THR A 96 ? 12.02528 -4.84101 15.36902 1.000 11.84769 H ? A ? 96 HG21 1
   ATOM 1721 HG22 . THR A 96 ? 10.68415 -4.20240 15.90386 1.000 11.84769 H ? A ? 96 HG22 1
   ATOM 1722 HG23 . THR A 96 ? 11.54217 -3.44262 14.81802 1.000 11.84769 H ? A ? 96 HG23 1
   ATOM 1723 N . LEU A 97 ? 9.70150 -1.30227 15.94737 1.000 7.64669 N ? A ? 97 N 1
   ATOM 1724 CA . LEU A 97 ? 8.25517 -1.16002 16.03057 1.000 8.05362 C ? A ? 97 CA 1
   ATOM 1725 C . LEU A 97 ? 7.55254 -2.18703 15.14224 1.000 9.39005 C ? A ? 97 C 1
   ATOM 1726 O . LEU A 97 ? 8.06921 -2.60458 14.11463 1.000 11.52342 O ? A ? 97 O 1
   ATOM 1727 CB . LEU A 97 ? 7.83873 0.26232 15.63035 1.000 11.69807 C ? A ? 97 CB 1
   ATOM 1728 CG . LEU A 97 ? 8.55039 1.43937 16.31965 1.000 9.13324 C ? A ? 97 CG 1
   ATOM 1729 CD1 . LEU A 97 ? 7.99898 2.74201 15.80024 1.000 10.73210 C ? A ? 97 CD1 1
   ATOM 1730 CD2 . LEU A 97 ? 8.44510 1.28858 17.82763 1.000 10.63170 C ? A ? 97 CD2 1
   ATOM 1731 H . LEU A 97 ? 10.04289 -1.05924 15.19638 1.000 9.21291 H ? A ? 97 H 1
   ATOM 1732 HA . LEU A 97 ? 7.96353 -1.32591 16.94069 1.000 9.70122 H ? A ? 97 HA 1
   ATOM 1733 HB2 . LEU A 97 ? 7.99663 0.35930 14.67821 1.000 14.07457 H ? A ? 97 HB2 1
   ATOM 1734 HB3 . LEU A 97 ? 6.89245 0.35760 15.82111 1.000 14.07457 H ? A ? 97 HB3 1
   ATOM 1735 HG . LEU A 97 ? 9.49840 1.44741 16.11445 1.000 10.99677 H ? A ? 97 HG 1
   ATOM 1736 HD11 . LEU A 97 ? 8.46968 3.47602 16.22518 1.000 12.91540 H ? A ? 97 HD11 1
   ATOM 1737 HD12 . LEU A 97 ? 8.12753 2.77865 14.83949 1.000 12.91540 H ? A ? 97 HD12 1
   ATOM 1738 HD13 . LEU A 97 ? 7.05305 2.79034 16.00948 1.000 12.91540 H ? A ? 97 HD13 1
   ATOM 1739 HD21 . LEU A 97 ? 8.80943 2.08187 18.25054 1.000 12.79492 H ? A ? 97 HD21 1
   ATOM 1740 HD22 . LEU A 97 ? 7.51179 1.18350 18.07010 1.000 12.79492 H ? A ? 97 HD22 1
   ATOM 1741 HD23 . LEU A 97 ? 8.94841 0.50633 18.10269 1.000 12.79492 H ? A ? 97 HD23 1
   ATOM 1742 N . VAL A 98 ? 6.36055 -2.58733 15.54359 1.000 8.89943 N ? A ? 98 N 1
   ATOM 1743 CA . VAL A 98 ? 5.51823 -3.46684 14.75117 1.000 11.20034 C ? A ? 98 CA 1
   ATOM 1744 C . VAL A 98 ? 4.20618 -2.75080 14.52709 1.000 8.08607 C ? A ? 98 C 1
   ATOM 1745 O . VAL A 98 ? 3.56422 -2.30174 15.49245 1.000 10.46156 O ? A ? 98 O 1
   ATOM 1746 CB . VAL A 98 ? 5.32424 -4.81089 15.46350 1.000 9.35270 C ? A ? 98 CB 1
   ATOM 1747 CG1 . VAL A 98 ? 4.23978 -5.64429 14.77348 1.000 12.26096 C ? A ? 98 CG1 1
   ATOM 1748 CG2 . VAL A 98 ? 6.64450 -5.55288 15.49940 1.000 11.75382 C ? A ? 98 CG2 1
   ATOM 1749 H . VAL A 98 ? 6.00663 -2.35687 16.29274 1.000 10.71620 H ? A ? 98 H 1
   ATOM 1750 HA . VAL A 98 ? 5.91293 -3.63949 13.88209 1.000 13.47729 H ? A ? 98 HA 1
   ATOM 1751 HB . VAL A 98 ? 5.02798 -4.65678 16.37420 1.000 11.26012 H ? A ? 98 HB 1
   ATOM 1752 HG11 . VAL A 98 ? 4.26540 -6.54836 15.12405 1.000 14.75003 H ? A ? 98 HG11 1
   ATOM 1753 HG12 . VAL A 98 ? 3.37380 -5.24503 14.95117 1.000 14.75003 H ? A ? 98 HG12 1
   ATOM 1754 HG13 . VAL A 98 ? 4.40945 -5.65489 13.81850 1.000 14.75003 H ? A ? 98 HG13 1
   ATOM 1755 HG21 . VAL A 98 ? 6.51745 -6.40186 15.95106 1.000 14.14147 H ? A ? 98 HG21 1
   ATOM 1756 HG22 . VAL A 98 ? 6.94670 -5.70392 14.59013 1.000 14.14147 H ? A ? 98 HG22 1
   ATOM 1757 HG23 . VAL A 98 ? 7.29503 -5.01691 15.97945 1.000 14.14147 H ? A ? 98 HG23 1
   ATOM 1758 N A PHE A 99 ? 3.80826 -2.61822 13.26386 0.300 9.70377 N ? A ? 99 N 1
   ATOM 1759 CA A PHE A 99 ? 2.55085 -2.00398 12.87253 0.300 9.65008 C ? A ? 99 CA 1
   ATOM 1760 C A PHE A 99 ? 1.71824 -3.01182 12.09448 0.300 10.54221 C ? A ? 99 C 1
   ATOM 1761 O A PHE A 99 ? 2.23990 -3.73484 11.24519 0.300 10.84633 O ? A ? 99 O 1
   ATOM 1762 CB A PHE A 99 ? 2.75418 -0.76690 11.98988 0.300 9.68599 C ? A ? 99 CB 1
   ATOM 1763 CG A PHE A 99 ? 3.07521 0.48183 12.74754 0.300 9.12638 C ? A ? 99 CG 1
   ATOM 1764 CD1 A PHE A 99 ? 2.05589 1.30816 13.20100 0.300 9.65011 C ? A ? 99 CD1 1
   ATOM 1765 CD2 A PHE A 99 ? 4.39502 0.84887 12.98567 0.300 8.97185 C ? A ? 99 CD2 1
   ATOM 1766 CE1 A PHE A 99 ? 2.34375 2.46993 13.88823 0.300 8.24595 C ? A ? 99 CE1 1
   ATOM 1767 CE2 A PHE A 99 ? 4.68642 2.01141 13.66919 0.300 9.45896 C ? A ? 99 CE2 1
   ATOM 1768 CZ A PHE A 99 ? 3.65770 2.81444 14.13563 0.300 9.05945 C ? A ? 99 CZ 1
   ATOM 1769 H A PHE A 99 ? 4.27134 -2.88873 12.59156 0.300 11.68141 H ? A ? 99 H 1
   ATOM 1770 HA A PHE A 99 ? 2.08085 -1.73279 13.67655 0.300 11.61698 H ? A ? 99 HA 1
   ATOM 1771 HB2 A PHE A 99 ? 3.48920 -0.93824 11.38055 0.300 11.66007 H ? A ? 99 HB2 1
   ATOM 1772 HB3 A PHE A 99 ? 1.93903 -0.60577 11.48942 0.300 11.66007 H ? A ? 99 HB3 1
   ATOM 1773 HD1 A PHE A 99 ? 1.16974 1.07641 13.03997 0.300 11.61701 H ? A ? 99 HD1 1
   ATOM 1774 HD2 A PHE A 99 ? 5.08674 0.30654 12.68186 0.300 10.80310 H ? A ? 99 HD2 1
   ATOM 1775 HE1 A PHE A 99 ? 1.65424 3.01948 14.18401 0.300 9.93202 H ? A ? 99 HE1 1
   ATOM 1776 HE2 A PHE A 99 ? 5.57156 2.25570 13.81665 0.300 11.38764 H ? A ? 99 HE2 1
   ATOM 1777 HZ A PHE A 99 ? 3.85271 3.58653 14.61599 0.300 10.90822 H ? A ? 99 HZ 1
   ATOM 1778 N B PHE A 99 ? 3.80138 -2.62018 13.26935 0.700 9.89556 N ? A ? 99 N 1
   ATOM 1779 CA B PHE A 99 ? 2.53093 -2.02072 12.91128 0.700 9.56639 C ? A ? 99 CA 1
   ATOM 1780 C B PHE A 99 ? 1.71554 -3.01902 12.10992 0.700 10.59149 C ? A ? 99 C 1
   ATOM 1781 O B PHE A 99 ? 2.25240 -3.73854 11.26614 0.700 10.65925 O ? A ? 99 O 1
   ATOM 1782 CB B PHE A 99 ? 2.67476 -0.77192 12.06347 0.700 9.62595 C ? A ? 99 CB 1
   ATOM 1783 CG B PHE A 99 ? 3.21499 0.40665 12.79250 0.700 9.01911 C ? A ? 99 CG 1
   ATOM 1784 CD1 B PHE A 99 ? 4.58883 0.60379 12.91317 0.700 8.71884 C ? A ? 99 CD1 1
   ATOM 1785 CD2 B PHE A 99 ? 2.35119 1.33919 13.34037 0.700 9.87108 C ? A ? 99 CD2 1
   ATOM 1786 CE1 B PHE A 99 ? 5.08187 1.71371 13.56309 0.700 9.19612 C ? A ? 99 CE1 1
   ATOM 1787 CE2 B PHE A 99 ? 2.84164 2.45498 13.98457 0.700 7.64814 C ? A ? 99 CE2 1
   ATOM 1788 CZ B PHE A 99 ? 4.20310 2.63581 14.11481 0.700 9.58210 C ? A ? 99 CZ 1
   ATOM 1789 H B PHE A 99 ? 4.26096 -2.87972 12.59036 0.700 11.91155 H ? A ? 99 H 1
   ATOM 1790 HA B PHE A 99 ? 2.07883 -1.78090 13.73530 0.700 11.51654 H ? A ? 99 HA 1
   ATOM 1791 HB2 B PHE A 99 ? 3.27834 -0.96443 11.32895 0.700 11.58802 H ? A ? 99 HB2 1
   ATOM 1792 HB3 B PHE A 99 ? 1.80084 -0.52893 11.71978 0.700 11.58802 H ? A ? 99 HB3 1
   ATOM 1793 HD1 B PHE A 99 ? 5.17771 -0.01889 12.55207 0.700 10.49949 H ? A ? 99 HD1 1
   ATOM 1794 HD2 B PHE A 99 ? 1.43237 1.21199 13.27333 0.700 11.88218 H ? A ? 99 HD2 1
   ATOM 1795 HE1 B PHE A 99 ? 6.00001 1.84480 13.63200 0.700 11.07223 H ? A ? 99 HE1 1
   ATOM 1796 HE2 B PHE A 99 ? 2.25395 3.08661 14.33180 0.700 9.21464 H ? A ? 99 HE2 1
   ATOM 1797 HZ B PHE A 99 ? 4.53219 3.37560 14.57231 0.700 11.53540 H ? A ? 99 HZ 1
   ATOM 1798 N . ASP A 100 ? 0.43528 -3.05916 12.39916 1.000 9.81521 N ? A ? 100 N 1
   ATOM 1799 CA . ASP A 100 ? -0.55136 -3.76227 11.59062 1.000 8.91800 C ? A ? 100 CA 1
   ATOM 1800 C . ASP A 100 ? -1.23727 -2.65989 10.81325 1.000 9.88082 C ? A ? 100 C 1
   ATOM 1801 O . ASP A 100 ? -1.92175 -1.81137 11.40728 1.000 11.26476 O ? A ? 100 O 1
   ATOM 1802 CB . ASP A 100 ? -1.49376 -4.52520 12.51296 1.000 9.02813 C ? A ? 100 CB 1
   ATOM 1803 CG . ASP A 100 ? -2.63025 -5.20697 11.81620 1.000 9.79964 C ? A ? 100 CG 1
   ATOM 1804 OD1 . ASP A 100 ? -2.99840 -4.89364 10.65950 1.000 12.99209 O ? A ? 100 OD1 1
   ATOM 1805 OD2 . ASP A 100 ? -3.20155 -6.05386 12.53850 1.000 17.47334 O ? A ? 100 OD2 1
   ATOM 1806 HA . ASP A 100 ? -0.17585 -4.41005 10.97396 1.000 10.73848 H ? A ? 100 HA 1
   ATOM 1807 HB2 . ASP A 100 ? -0.98525 -5.20730 12.97885 1.000 10.87064 H ? A ? 100 HB2 1
   ATOM 1808 HB3 . ASP A 100 ? -1.87417 -3.90130 13.15088 1.000 10.87064 H ? A ? 100 HB3 1
   ATOM 1809 H A ASP A 100 ? 0.09672 -2.67967 13.09268 0.300 11.81514 H ? A ? 100 H 1
   ATOM 1810 H B ASP A 100 ? 0.09229 -2.67248 13.08650 0.700 11.81514 H ? A ? 100 H 1
   ATOM 1811 N . VAL A 101 ? -0.99308 -2.61922 9.49701 1.000 9.67812 N ? A ? 101 N 1
   ATOM 1812 CA . VAL A 101 ? -1.50986 -1.59655 8.60730 1.000 7.76876 C ? A ? 101 CA 1
   ATOM 1813 C . VAL A 101 ? -2.43013 -2.22507 7.56538 1.000 10.12343 C ? A ? 101 C 1
   ATOM 1814 O . VAL A 101 ? -2.05355 -3.19464 6.90247 1.000 11.42033 O ? A ? 101 O 1
   ATOM 1815 CB . VAL A 101 ? -0.36623 -0.82702 7.91897 1.000 10.83640 C ? A ? 101 CB 1
   ATOM 1816 CG1 . VAL A 101 ? -0.93497 0.24905 7.04091 1.000 18.00590 C ? A ? 101 CG1 1
   ATOM 1817 CG2 . VAL A 101 ? 0.53844 -0.22290 8.94753 1.000 8.65048 C ? A ? 101 CG2 1
   ATOM 1818 H . VAL A 101 ? -0.50961 -3.20178 9.08900 1.000 11.65062 H ? A ? 101 H 1
   ATOM 1819 HA . VAL A 101 ? -2.04612 -0.98082 9.13094 1.000 9.35940 H ? A ? 101 HA 1
   ATOM 1820 HB . VAL A 101 ? 0.15097 -1.43901 7.37227 1.000 13.04056 H ? A ? 101 HB 1
   ATOM 1821 HG11 . VAL A 101 ? -0.22084 0.84837 6.77307 1.000 21.64396 H ? A ? 101 HG11 1
   ATOM 1822 HG12 . VAL A 101 ? -1.33419 -0.16070 6.25757 1.000 21.64396 H ? A ? 101 HG12 1
   ATOM 1823 HG13 . VAL A 101 ? -1.60889 0.73876 7.53780 1.000 21.64396 H ? A ? 101 HG13 1
   ATOM 1824 HG21 . VAL A 101 ? 1.21648 0.30682 8.49969 1.000 10.41746 H ? A ? 101 HG21 1
   ATOM 1825 HG22 . VAL A 101 ? 0.01399 0.34118 9.53716 1.000 10.41746 H ? A ? 101 HG22 1
   ATOM 1826 HG23 . VAL A 101 ? 0.95736 -0.93439 9.45663 1.000 10.41746 H ? A ? 101 HG23 1
   ATOM 1827 N . GLU A 102 ? -3.60549 -1.63761 7.38237 1.000 9.23488 N ? A ? 102 N 1
   ATOM 1828 CA . GLU A 102 ? -4.53791 -2.02678 6.32803 1.000 9.96200 C ? A ? 102 CA 1
   ATOM 1829 C . GLU A 102 ? -4.68901 -0.82645 5.41034 1.000 12.07908 C ? A ? 102 C 1
   ATOM 1830 O . GLU A 102 ? -5.01911 0.26995 5.87494 1.000 11.93848 O ? A ? 102 O 1
   ATOM 1831 CB . GLU A 102 ? -5.90428 -2.44717 6.87495 1.000 9.77717 C ? A ? 102 CB 1
   ATOM 1832 CG . GLU A 102 ? -6.82357 -2.87513 5.74160 1.000 12.40046 C ? A ? 102 CG 1
   ATOM 1833 CD . GLU A 102 ? -8.19778 -3.30739 6.19684 1.000 20.09524 C ? A ? 102 CD 1
   ATOM 1834 OE1 . GLU A 102 ? -8.49550 -3.16427 7.38704 1.000 24.07620 O ? A ? 102 OE1 1
   ATOM 1835 OE2 . GLU A 102 ? -8.98173 -3.79555 5.36169 1.000 22.27047 O ? A ? 102 OE2 1
   ATOM 1836 H . GLU A 102 ? -3.89535 -0.99139 7.87020 1.000 11.11874 H ? A ? 102 H 1
   ATOM 1837 HA . GLU A 102 ? -4.18059 -2.78657 5.84228 1.000 11.99128 H ? A ? 102 HA 1
   ATOM 1838 HB2 . GLU A 102 ? -5.79399 -3.19455 7.48336 1.000 11.76949 H ? A ? 102 HB2 1
   ATOM 1839 HB3 . GLU A 102 ? -6.31194 -1.69914 7.33881 1.000 11.76949 H ? A ? 102 HB3 1
   ATOM 1840 HG2 . GLU A 102 ? -6.93595 -2.12842 5.13275 1.000 14.91743 H ? A ? 102 HG2 1
   ATOM 1841 HG3 . GLU A 102 ? -6.41776 -3.62377 5.27709 1.000 14.91743 H ? A ? 102 HG3 1
   ATOM 1842 N . LEU A 103 ? -4.39418 -1.00426 4.13022 1.000 8.34473 N ? A ? 103 N 1
   ATOM 1843 CA . LEU A 103 ? -4.52783 0.07017 3.14650 1.000 9.86285 C ? A ? 103 CA 1
   ATOM 1844 C . LEU A 103 ? -5.95914 0.06560 2.62708 1.000 13.49049 C ? A ? 103 C 1
   ATOM 1845 O . LEU A 103 ? -6.33811 -0.80783 1.84123 1.000 12.40178 O ? A ? 103 O 1
   ATOM 1846 CB . LEU A 103 ? -3.53759 -0.09984 2.00416 1.000 9.68069 C ? A ? 103 CB 1
   ATOM 1847 CG . LEU A 103 ? -3.59666 0.99091 0.93428 1.000 11.07703 C ? A ? 103 CG 1
   ATOM 1848 CD1 . LEU A 103 ? -3.22439 2.36760 1.47475 1.000 13.81447 C ? A ? 103 CD1 1
   ATOM 1849 CD2 . LEU A 103 ? -2.65864 0.64692 -0.19827 1.000 11.74828 C ? A ? 103 CD2 1
   ATOM 1850 H . LEU A 103 ? -4.11106 -1.74584 3.79929 1.000 10.05055 H ? A ? 103 H 1
   ATOM 1851 HA . LEU A 103 ? -4.34590 0.92022 3.57687 1.000 11.87230 H ? A ? 103 HA 1
   ATOM 1852 HB2 . LEU A 103 ? -2.64047 -0.09882 2.37305 1.000 11.65371 H ? A ? 103 HB2 1
   ATOM 1853 HB3 . LEU A 103 ? -3.71569 -0.94739 1.56729 1.000 11.65371 H ? A ? 103 HB3 1
   ATOM 1854 HG . LEU A 103 ? -4.51278 1.03724 0.61886 1.000 13.32932 H ? A ? 103 HG 1
   ATOM 1855 HD11 . LEU A 103 ? -3.17668 2.99453 0.73612 1.000 16.61424 H ? A ? 103 HD11 1
   ATOM 1856 HD12 . LEU A 103 ? -3.90244 2.65251 2.10718 1.000 16.61424 H ? A ? 103 HD12 1
   ATOM 1857 HD13 . LEU A 103 ? -2.36278 2.31095 1.91670 1.000 16.61424 H ? A ? 103 HD13 1
   ATOM 1858 HD21 . LEU A 103 ? -2.73183 1.32658 -0.88645 1.000 14.13481 H ? A ? 103 HD21 1
   ATOM 1859 HD22 . LEU A 103 ? -1.75068 0.61689 0.14173 1.000 14.13481 H ? A ? 103 HD22 1
   ATOM 1860 HD23 . LEU A 103 ? -2.90497 -0.21851 -0.56056 1.000 14.13481 H ? A ? 103 HD23 1
   ATOM 1861 N . LEU A 104 ? -6.73910 1.06109 3.03814 1.000 16.68371 N ? A ? 104 N 1
   ATOM 1862 CA . LEU A 104 ? -8.18310 1.00707 2.81665 1.000 13.78149 C ? A ? 104 CA 1
   ATOM 1863 C . LEU A 104 ? -8.56724 1.56841 1.46116 1.000 14.17890 C ? A ? 104 C 1
   ATOM 1864 O . LEU A 104 ? -9.41120 0.99060 0.76359 1.000 15.65571 O ? A ? 104 O 1
   ATOM 1865 CB . LEU A 104 ? -8.91200 1.77876 3.90766 1.000 14.52384 C ? A ? 104 CB 1
   ATOM 1866 CG . LEU A 104 ? -8.72659 1.20416 5.30258 1.000 13.58599 C ? A ? 104 CG 1
   ATOM 1867 CD1 . LEU A 104 ? -9.25975 2.18719 6.34209 1.000 16.30106 C ? A ? 104 CD1 1
   ATOM 1868 CD2 . LEU A 104 ? -9.35650 -0.17272 5.48905 1.000 14.18700 C ? A ? 104 CD2 1
   ATOM 1869 H . LEU A 104 ? -6.46324 1.76871 3.44159 1.000 20.05733 H ? A ? 104 H 1
   ATOM 1870 HA . LEU A 104 ? -8.45576 0.07692 2.85371 1.000 16.57466 H ? A ? 104 HA 1
   ATOM 1871 HB2 . LEU A 104 ? -8.58032 2.69024 3.91704 1.000 17.46549 H ? A ? 104 HB2 1
   ATOM 1872 HB3 . LEU A 104 ? -9.86156 1.77328 3.70963 1.000 17.46549 H ? A ? 104 HB3 1
   ATOM 1873 HG . LEU A 104 ? -7.77496 1.07174 5.43586 1.000 16.34007 H ? A ? 104 HG 1
   ATOM 1874 HD11 . LEU A 104 ? -9.12891 1.81264 7.22724 1.000 19.59816 H ? A ? 104 HD11 1
   ATOM 1875 HD12 . LEU A 104 ? -8.77620 3.02428 6.26233 1.000 19.59816 H ? A ? 104 HD12 1
   ATOM 1876 HD13 . LEU A 104 ? -10.20497 2.33463 6.18171 1.000 19.59816 H ? A ? 104 HD13 1
   ATOM 1877 HD21 . LEU A 104 ? -9.29422 -0.42453 6.42373 1.000 17.06128 H ? A ? 104 HD21 1
   ATOM 1878 HD22 . LEU A 104 ? -10.28713 -0.13353 5.21834 1.000 17.06128 H ? A ? 104 HD22 1
   ATOM 1879 HD23 . LEU A 104 ? -8.87933 -0.81516 4.94090 1.000 17.06128 H ? A ? 104 HD23 1
   ATOM 1880 N . LYS A 105 ? -7.98074 2.70419 1.08459 1.000 14.18037 N ? A ? 105 N 1
   ATOM 1881 CA . LYS A 105 ? -8.26215 3.35658 -0.18459 1.000 20.12920 C ? A ? 105 CA 1
   ATOM 1882 C . LYS A 105 ? -7.17389 4.37417 -0.47388 1.000 21.67777 C ? A ? 105 C 1
   ATOM 1883 O . LYS A 105 ? -6.36910 4.73308 0.39605 1.000 17.13913 O ? A ? 105 O 1
   ATOM 1884 CB . LYS A 105 ? -9.63986 4.03604 -0.18356 1.000 26.64585 C ? A ? 105 CB 1
   ATOM 1885 CG . LYS A 105 ? -9.71116 5.26821 0.66310 1.000 28.12488 C ? A ? 105 CG 1
   ATOM 1886 CD . LYS A 105 ? -11.12261 5.88344 0.68159 1.000 25.15657 C ? A ? 105 CD 1
   ATOM 1887 CE . LYS A 105 ? -11.58617 6.12744 2.11936 1.000 53.44782 C ? A ? 105 CE 1
   ATOM 1888 NZ . LYS A 105 ? -11.66454 4.86271 2.91834 1.000 70.22098 N ? A ? 105 NZ 1
   ATOM 1889 H . LYS A 105 ? -7.40167 3.12466 1.56154 1.000 17.05333 H ? A ? 105 H 1
   ATOM 1890 HA . LYS A 105 ? -8.24735 2.68246 -0.88190 1.000 24.19193 H ? A ? 105 HA 1
   ATOM 1891 HB2 . LYS A 105 ? -9.86183 4.28984 -1.09307 1.000 32.01191 H ? A ? 105 HB2 1
   ATOM 1892 HB3 . LYS A 105 ? -10.29622 3.40715 0.15496 1.000 32.01191 H ? A ? 105 HB3 1
   ATOM 1893 HG2 . LYS A 105 ? -9.46873 5.04240 1.57476 1.000 33.78673 H ? A ? 105 HG2 1
   ATOM 1894 HG3 . LYS A 105 ? -9.09752 5.93201 0.31135 1.000 33.78673 H ? A ? 105 HG3 1
   ATOM 1895 HD2 . LYS A 105 ? -11.11276 6.73238 0.21245 1.000 30.22477 H ? A ? 105 HD2 1
   ATOM 1896 HD3 . LYS A 105 ? -11.74705 5.27593 0.25511 1.000 30.22477 H ? A ? 105 HD3 1
   ATOM 1897 HE2 . LYS A 105 ? -10.95845 6.72240 2.55856 1.000 64.17427 H ? A ? 105 HE2 1
   ATOM 1898 HE3 . LYS A 105 ? -12.46899 6.52906 2.10435 1.000 64.17427 H ? A ? 105 HE3 1
   ATOM 1899 HZ1 . LYS A 105 ? -11.93456 5.04248 3.74712 1.000 84.30206 H ? A ? 105 HZ1 1
   ATOM 1900 HZ2 . LYS A 105 ? -12.24242 4.30017 2.54191 1.000 84.30206 H ? A ? 105 HZ2 1
   ATOM 1901 HZ3 . LYS A 105 ? -10.86442 4.47451 2.95305 1.000 84.30206 H ? A ? 105 HZ3 1
   ATOM 1902 N . LEU A 106 ? -7.14875 4.82904 -1.72354 1.000 16.17222 N ? A ? 106 N 1
   ATOM 1903 CA . LEU A 106 ? -6.28325 5.91218 -2.16087 1.000 18.46351 C ? A ? 106 CA 1
   ATOM 1904 C . LEU A 106 ? -7.14718 7.09590 -2.57277 1.000 23.73313 C ? A ? 106 C 1
   ATOM 1905 O . LEU A 106 ? -8.15419 6.92244 -3.26622 1.000 35.88108 O ? A ? 106 O 1
   ATOM 1906 CB . LEU A 106 ? -5.39120 5.45572 -3.31304 1.000 19.80462 C ? A ? 106 CB 1
   ATOM 1907 CG . LEU A 106 ? -4.53768 4.22095 -3.01368 1.000 24.02394 C ? A ? 106 CG 1
   ATOM 1908 CD1 . LEU A 106 ? -3.87088 3.72585 -4.30922 1.000 32.28958 C ? A ? 106 CD1 1
   ATOM 1909 CD2 . LEU A 106 ? -3.46323 4.49065 -1.95298 1.000 19.87787 C ? A ? 106 CD2 1
   ATOM 1910 H . LEU A 106 ? -7.64125 4.51370 -2.35410 1.000 19.44354 H ? A ? 106 H 1
   ATOM 1911 HA . LEU A 106 ? -5.70339 6.20345 -1.43988 1.000 22.19309 H ? A ? 106 HA 1
   ATOM 1912 HB2 . LEU A 106 ? -5.95551 5.24383 -4.07302 1.000 23.80242 H ? A ? 106 HB2 1
   ATOM 1913 HB3 . LEU A 106 ? -4.78761 6.18039 -3.53983 1.000 23.80242 H ? A ? 106 HB3 1
   ATOM 1914 HG . LEU A 106 ? -5.12295 3.53462 -2.65686 1.000 28.86560 H ? A ? 106 HG 1
   ATOM 1915 HD11 . LEU A 106 ? -3.33430 2.94297 -4.10899 1.000 38.78438 H ? A ? 106 HD11 1
   ATOM 1916 HD12 . LEU A 106 ? -4.56048 3.49853 -4.95240 1.000 38.78438 H ? A ? 106 HD12 1
   ATOM 1917 HD13 . LEU A 106 ? -3.30735 4.43122 -4.66387 1.000 38.78438 H ? A ? 106 HD13 1
   ATOM 1918 HD21 . LEU A 106 ? -2.95316 3.67868 -1.80657 1.000 23.89033 H ? A ? 106 HD21 1
   ATOM 1919 HD22 . LEU A 106 ? -2.87779 5.19661 -2.26887 1.000 23.89033 H ? A ? 106 HD22 1
   ATOM 1920 HD23 . LEU A 106 ? -3.89503 4.76326 -1.12828 1.000 23.89033 H ? A ? 106 HD23 1
   ATOM 1921 N . GLU A 107 ? -6.76570 8.29421 -2.13846 1.000 23.43230 N ? A ? 107 N 1
   ATOM 1922 CA . GLU A 107 ? -7.58341 9.48548 -2.38983 1.000 25.69685 C ? A ? 107 CA 1
   ATOM 1923 C . GLU A 107 ? -6.71995 10.74404 -2.56047 1.000 32.91668 C ? A ? 107 C 1
   ATOM 1924 O . GLU A 107 ? -5.57377 10.67485 -3.04855 1.000 30.79996 O ? A ? 107 O 1
   ATOM 1925 CB . GLU A 107 ? -8.61967 9.68161 -1.25722 1.000 26.91093 C ? A ? 107 CB 1
   ATOM 1926 CG . GLU A 107 ? -8.05686 10.22958 0.04029 1.000 27.50143 C ? A ? 107 CG 1
   ATOM 1927 CD . GLU A 107 ? -9.10331 10.52609 1.08666 1.000 23.79111 C ? A ? 107 CD 1
   ATOM 1928 OE1 . GLU A 107 ? -10.10131 9.77938 1.17140 1.000 31.55626 O ? A ? 107 OE1 1
   ATOM 1929 OE2 . GLU A 107 ? -8.91937 11.50463 1.83831 1.000 32.05362 O ? A ? 107 OE2 1
   ATOM 1930 H . GLU A 107 ? -6.04264 8.44613 -1.69834 1.000 28.15564 H ? A ? 107 H 1
   ATOM 1931 HA . GLU A 107 ? -8.06962 9.35908 -3.21960 1.000 30.87310 H ? A ? 107 HA 1
   ATOM 1932 HB2 . GLU A 107 ? -9.29724 10.30343 -1.56565 1.000 32.32999 H ? A ? 107 HB2 1
   ATOM 1933 HB3 . GLU A 107 ? -9.02362 8.82233 -1.05883 1.000 32.32999 H ? A ? 107 HB3 1
   ATOM 1934 HG2 . GLU A 107 ? -7.44348 9.57741 0.41356 1.000 33.03859 H ? A ? 107 HG2 1
   ATOM 1935 HG3 . GLU A 107 ? -7.58685 11.05672 -0.14901 1.000 33.03859 H ? A ? 107 HG3 1
   HETATM 1936 C1 . RAP A 501 ? 4.63363 8.43779 12.13207 1.000 8.99991 C ? B ? . C1 1
   HETATM 1937 C10 . RAP A 501 ? 2.25849 7.47660 16.92337 1.000 9.30142 C ? B ? . C10 1
   HETATM 1938 C11 . RAP A 501 ? 3.57072 8.04610 17.48124 1.000 12.58323 C ? B ? . C11 1
   HETATM 1939 C12 . RAP A 501 ? 3.20516 9.34841 18.23455 1.000 18.10590 C ? B ? . C12 1
   HETATM 1940 C13 . RAP A 501 ? 2.40710 10.35779 17.39526 1.000 13.91258 C ? B ? . C13 1
   HETATM 1941 C14 . RAP A 501 ? 1.18477 9.69053 16.78321 1.000 9.14190 C ? B ? . C14 1
   HETATM 1942 C15 . RAP A 501 ? 0.46653 10.48306 15.70443 1.000 10.99192 C ? B ? . C15 1
   HETATM 1943 C16 . RAP A 501 ? -0.25327 11.75969 16.17418 1.000 10.90197 C ? B ? . C16 1
   HETATM 1944 C17 . RAP A 501 ? -0.78429 12.58769 15.03422 1.000 11.48369 C ? B ? . C17 1
   HETATM 1945 C18 . RAP A 501 ? -0.24877 13.79321 14.77280 1.000 10.61940 C ? B ? . C18 1
   HETATM 1946 C19 . RAP A 501 ? -0.61167 14.64997 13.67134 1.000 10.89939 C ? B ? . C19 1
   HETATM 1947 C2 . RAP A 501 ? 4.09679 7.05517 12.50050 1.000 10.23830 C ? B ? . C2 1
   HETATM 1948 C20 . RAP A 501 ? -0.03589 15.83861 13.40385 1.000 11.92326 C ? B ? . C20 1
   HETATM 1949 C21 . RAP A 501 ? -0.42450 16.59225 12.22851 1.000 11.94014 C ? B ? . C21 1
   HETATM 1950 C22 . RAP A 501 ? 0.27400 17.62378 11.75097 1.000 13.91403 C ? B ? . C22 1
   HETATM 1951 C23 . RAP A 501 ? -0.07353 18.40541 10.52323 1.000 11.87171 C ? B ? . C23 1
   HETATM 1952 C24 . RAP A 501 ? 1.13306 18.27152 9.59801 1.000 9.40146 C ? B ? . C24 1
   HETATM 1953 C25 . RAP A 501 ? 1.59953 16.84558 9.21432 1.000 9.14367 C ? B ? . C25 1
   HETATM 1954 C26 . RAP A 501 ? 3.00673 16.97300 8.64478 1.000 13.75736 C ? B ? . C26 1
   HETATM 1955 C27 . RAP A 501 ? 4.21671 16.91672 9.57748 1.000 15.93139 C ? B ? . C27 1
   HETATM 1956 C28 . RAP A 501 ? 4.59914 15.50156 10.00755 1.000 12.02404 C ? B ? . C28 1
   HETATM 1957 C29 . RAP A 501 ? 3.65436 14.87140 11.00123 1.000 10.53795 C ? B ? . C29 1
   HETATM 1958 C3 . RAP A 501 ? 3.59580 6.21817 11.29939 1.000 8.93979 C ? B ? . C3 1
   HETATM 1959 C30 . RAP A 501 ? 2.88308 13.86782 10.58761 1.000 11.00597 C ? B ? . C30 1
   HETATM 1960 C31 . RAP A 501 ? 1.89279 13.08671 11.42471 1.000 10.80121 C ? B ? . C31 1
   HETATM 1961 C32 . RAP A 501 ? 2.55162 11.74641 11.74695 1.000 10.79598 C ? B ? . C32 1
   HETATM 1962 C33 . RAP A 501 ? 3.63549 11.78261 12.79846 1.000 13.36352 C ? B ? . C33 1
   HETATM 1963 C34 . RAP A 501 ? 4.72117 10.74801 12.55937 1.000 7.82499 C ? B ? . C34 1
   HETATM 1964 C35 . RAP A 501 ? 5.96207 10.98513 13.44702 1.000 13.91952 C ? B ? . C35 1
   HETATM 1965 C36 . RAP A 501 ? 6.67708 12.31097 13.08759 1.000 13.99167 C ? B ? . C36 1
   HETATM 1966 C37 . RAP A 501 ? 7.18428 12.44581 11.66072 1.000 14.92125 C ? B ? . C37 1
   HETATM 1967 C38 . RAP A 501 ? 7.94363 13.76063 11.52250 1.000 12.75516 C ? B ? . C38 1
   HETATM 1968 C39 . RAP A 501 ? 8.47324 13.99285 10.12515 1.000 11.60683 C ? B ? . C39 1
   HETATM 1969 C4 . RAP A 501 ? 2.24108 6.77793 10.82697 1.000 7.60871 C ? B ? . C4 1
   HETATM 1970 C40 . RAP A 501 ? 9.29547 12.80026 9.64368 1.000 11.70786 C ? B ? . C40 1
   HETATM 1971 C41 . RAP A 501 ? 8.49525 11.48998 9.77743 1.000 11.28249 C ? B ? . C41 1
   HETATM 1972 C42 . RAP A 501 ? 8.08458 11.28356 11.23081 1.000 12.28395 C ? B ? . C42 1
   HETATM 1973 C43 . RAP A 501 ? 4.36640 7.02502 18.31138 1.000 7.93111 C ? B ? . C43 1
   HETATM 1974 C44 . RAP A 501 ? -1.88491 11.96739 14.25266 1.000 12.13023 C ? B ? . C44 1
   HETATM 1975 C45 . RAP A 501 ? -0.40673 19.86787 10.85305 1.000 11.72310 C ? B ? . C45 1
   HETATM 1976 C46 . RAP A 501 ? 0.67068 16.12889 8.24040 1.000 10.48061 C ? B ? . C46 1
   HETATM 1977 C47 . RAP A 501 ? 3.66106 15.42643 12.40493 1.000 16.88232 C ? B ? . C47 1
   HETATM 1978 C48 . RAP A 501 ? 0.58701 12.88074 10.67606 1.000 14.18258 C ? B ? . C48 1
   HETATM 1979 C49 . RAP A 501 ? 5.66235 10.92484 14.94262 1.000 13.32130 C ? B ? . C49 1
   HETATM 1980 C5 . RAP A 501 ? 1.24405 6.60193 11.98127 1.000 7.92082 C ? B ? . C5 1
   HETATM 1981 C50 . RAP A 501 ? -1.73197 12.46544 17.87767 1.000 16.79764 C ? B ? . C50 1
   HETATM 1982 C51 . RAP A 501 ? 5.28295 18.93302 8.93236 1.000 23.08395 C ? B ? . C51 1
   HETATM 1983 C52 . RAP A 501 ? 8.45345 16.39506 10.22530 1.000 18.15196 C ? B ? . C52 1
   HETATM 1984 C6 . RAP A 501 ? 1.69272 7.38609 13.21098 1.000 8.60740 C ? B ? . C6 1
   HETATM 1985 C8 . RAP A 501 ? 3.43457 6.47438 14.75250 1.000 8.97779 C ? B ? . C8 1
   HETATM 1986 C9 . RAP A 501 ? 2.40700 6.33789 15.87738 1.000 9.44633 C ? B ? . C9 1
   HETATM 1987 N7 . RAP A 501 ? 3.06797 6.96558 13.55425 1.000 10.54898 N ? B ? . N7 1
   HETATM 1988 O1 . RAP A 501 ? 4.19474 9.42745 12.88525 1.000 6.85371 O ? B ? . O1 1
   HETATM 1989 O10 . RAP A 501 ? 4.76024 14.74503 8.83231 1.000 15.51346 O ? B ? . O10 1
   HETATM 1990 O11 . RAP A 501 ? 2.26879 10.72218 11.13039 1.000 11.09608 O ? B ? . O11 1
   HETATM 1991 O12 . RAP A 501 ? 9.25117 15.20750 10.11800 1.000 16.79996 O ? B ? . O12 1
   HETATM 1992 O13 . RAP A 501 ? 9.78942 13.02064 8.31226 1.000 14.08368 O ? B ? . O13 1
   HETATM 1993 O2 . RAP A 501 ? 5.42030 8.57649 11.23073 1.000 9.04066 O ? B ? . O2 1
   HETATM 1994 O3 . RAP A 501 ? 4.57678 6.13066 15.06136 1.000 10.64683 O ? B ? . O3 1
   HETATM 1995 O4 . RAP A 501 ? 1.72614 5.34024 15.86059 1.000 11.03861 O ? B ? . O4 1
   HETATM 1996 O5 . RAP A 501 ? 1.55804 8.43435 16.13002 1.000 10.15641 O ? B ? . O5 1
   HETATM 1997 O6 . RAP A 501 ? 1.44537 6.99993 17.94330 1.000 12.08573 O ? B ? . O6 1
   HETATM 1998 O7 . RAP A 501 ? -1.28166 11.35233 17.08588 1.000 15.45689 O ? B ? . O7 1
   HETATM 1999 O8 . RAP A 501 ? 3.25060 17.15185 7.46702 1.000 15.07948 O ? B ? . O8 1
   HETATM 2000 O9 . RAP A 501 ? 5.35362 17.49322 8.92018 1.000 17.44542 O ? B ? . O9 1
   HETATM 2001 H2 . RAP A 501 ? 4.91533 6.70479 12.88537 1.000 12.32284 H ? B ? . H2 1
   HETATM 2002 H11 . RAP A 501 ? 4.14362 8.28119 16.73463 1.000 15.13675 H ? B ? . H11 1
   HETATM 2003 H14 . RAP A 501 ? 0.56083 9.48325 17.49639 1.000 11.00716 H ? B ? . H14 1
   HETATM 2004 H16 . RAP A 501 ? 0.38096 12.31411 16.65508 1.000 13.11925 H ? B ? . H16 1
   HETATM 2005 H18 . RAP A 501 ? 0.41264 14.11317 15.34294 1.000 12.78016 H ? B ? . H18 1
   HETATM 2006 H19 . RAP A 501 ? -1.29094 14.36368 13.10432 1.000 13.11615 H ? B ? . H19 1
   HETATM 2007 H20 . RAP A 501 ? 0.61552 16.18977 13.96710 1.000 14.34479 H ? B ? . H20 1
   HETATM 2008 H21 . RAP A 501 ? -1.20477 16.33022 11.79559 1.000 14.36504 H ? B ? . H21 1
   HETATM 2009 H22 . RAP A 501 ? 1.04096 17.89463 12.20186 1.000 16.73371 H ? B ? . H22 1
   HETATM 2010 H23 . RAP A 501 ? -0.86616 18.06332 10.08095 1.000 14.28293 H ? B ? . H23 1
   HETATM 2011 H25 . RAP A 501 ? 1.64236 16.34166 10.04204 1.000 11.00928 H ? B ? . H25 1
   HETATM 2012 H27 . RAP A 501 ? 3.99618 17.37892 10.40127 1.000 19.15455 H ? B ? . H27 1
   HETATM 2013 H28 . RAP A 501 ? 5.45155 15.61773 10.45566 1.000 14.46573 H ? B ? . H28 1
   HETATM 2014 H30 . RAP A 501 ? 2.93842 13.59923 9.69896 1.000 13.24404 H ? B ? . H30 1
   HETATM 2015 H31 . RAP A 501 ? 1.74148 13.55275 12.26185 1.000 12.99834 H ? B ? . H31 1
   HETATM 2016 H34 . RAP A 501 ? 4.95301 10.70434 11.61850 1.000 9.42687 H ? B ? . H34 1
   HETATM 2017 H35 . RAP A 501 ? 6.55855 10.24492 13.25416 1.000 16.74030 H ? B ? . H35 1
   HETATM 2018 H37 . RAP A 501 ? 6.42327 12.47405 11.05992 1.000 17.94238 H ? B ? . H37 1
   HETATM 2019 H39 . RAP A 501 ? 7.72044 14.10924 9.52461 1.000 13.96507 H ? B ? . H39 1
   HETATM 2020 H40 . RAP A 501 ? 10.07342 12.75844 10.22155 1.000 14.08632 H ? B ? . H40 1
   HETATM 2021 HO1 . RAP A 501 ? 5.45545 14.26314 8.91578 1.000 18.65303 H ? B ? . HO1 1
   HETATM 2022 HO3 . RAP A 501 ? 10.63881 13.01428 8.34388 1.000 16.93730 H ? B ? . HO3 1
   HETATM 2023 HO6 . RAP A 501 ? 1.50357 6.15308 17.98749 1.000 14.53975 H ? B ? . HO6 1
   HETATM 2024 H121 . RAP A 501 ? 4.01672 9.77662 18.54904 1.000 21.76396 H ? B ? . H121 1
   HETATM 2025 H122 . RAP A 501 ? 2.69255 9.12789 19.02796 1.000 21.76396 H ? B ? . H122 1
   HETATM 2026 H131 . RAP A 501 ? 2.12566 11.10110 17.95131 1.000 16.73198 H ? B ? . H131 1
   HETATM 2027 H132 . RAP A 501 ? 2.96709 10.71717 16.68946 1.000 16.73198 H ? B ? . H132 1
   HETATM 2028 H151 . RAP A 501 ? -0.19015 9.90813 15.28121 1.000 13.22718 H ? B ? . H151 1
   HETATM 2029 H152 . RAP A 501 ? 1.10977 10.73579 15.02378 1.000 13.22718 H ? B ? . H152 1
   HETATM 2030 H241 . RAP A 501 ? 1.88142 18.72638 10.01509 1.000 11.31863 H ? B ? . H241 1
   HETATM 2031 H242 . RAP A 501 ? 0.93513 18.74979 8.77765 1.000 11.31863 H ? B ? . H242 1
   HETATM 2032 H331 . RAP A 501 ? 4.03630 12.66567 12.81975 1.000 16.07310 H ? B ? . H331 1
   HETATM 2033 H332 . RAP A 501 ? 3.24276 11.63574 13.67316 1.000 16.07310 H ? B ? . H332 1
   HETATM 2034 H361 . RAP A 501 ? 6.07360 13.04983 13.26310 1.000 16.82689 H ? B ? . H361 1
   HETATM 2035 H362 . RAP A 501 ? 7.42987 12.43331 13.68695 1.000 16.82689 H ? B ? . H362 1
   HETATM 2036 H381 . RAP A 501 ? 8.69099 13.77831 12.14059 1.000 15.34307 H ? B ? . H381 1
   HETATM 2037 H382 . RAP A 501 ? 7.36620 14.50330 11.75896 1.000 15.34307 H ? B ? . H382 1
   HETATM 2038 H411 . RAP A 501 ? 7.71433 11.53104 9.20352 1.000 13.57587 H ? B ? . H411 1
   HETATM 2039 H412 . RAP A 501 ? 9.03874 10.74906 9.46668 1.000 13.57587 H ? B ? . H412 1
   HETATM 2040 H421 . RAP A 501 ? 8.86539 11.24173 11.80483 1.000 14.77762 H ? B ? . H421 1
   HETATM 2041 H422 . RAP A 501 ? 7.61150 10.44344 11.33715 1.000 14.77762 H ? B ? . H422 1
   HETATM 2042 H431 . RAP A 501 ? 3.86584 6.72943 19.08789 1.000 9.55421 H ? B ? . H431 1
   HETATM 2043 H432 . RAP A 501 ? 5.20165 7.39976 18.63205 1.000 9.55421 H ? B ? . H432 1
   HETATM 2044 H433 . RAP A 501 ? 4.58500 6.23584 17.79147 1.000 9.55421 H ? B ? . H433 1
   HETATM 2045 H441 . RAP A 501 ? -2.38560 11.35196 14.81074 1.000 14.59315 H ? B ? . H441 1
   HETATM 2046 H442 . RAP A 501 ? -2.48828 12.65192 13.92362 1.000 14.59315 H ? B ? . H442 1
   HETATM 2047 H443 . RAP A 501 ? -1.52388 11.47954 13.49598 1.000 14.59315 H ? B ? . H443 1
   HETATM 2048 H451 . RAP A 501 ? -0.62204 20.35988 10.04530 1.000 14.10460 H ? B ? . H451 1
   HETATM 2049 H452 . RAP A 501 ? -1.16795 19.91822 11.45214 1.000 14.10460 H ? B ? . H452 1
   HETATM 2050 H453 . RAP A 501 ? 0.34735 20.30185 11.28191 1.000 14.10460 H ? B ? . H453 1
   HETATM 2051 H461 . RAP A 501 ? 0.61828 16.60471 7.39675 1.000 12.61362 H ? B ? . H461 1
   HETATM 2052 H462 . RAP A 501 ? -0.22694 16.06232 8.60198 1.000 12.61362 H ? B ? . H462 1
   HETATM 2053 H463 . RAP A 501 ? 0.98630 15.23014 8.05727 1.000 12.61362 H ? B ? . H463 1
   HETATM 2054 H471 . RAP A 501 ? 3.35298 14.76527 13.04435 1.000 20.29566 H ? B ? . H471 1
   HETATM 2055 H472 . RAP A 501 ? 3.08136 16.20070 12.47808 1.000 20.29566 H ? B ? . H472 1
   HETATM 2056 H473 . RAP A 501 ? 4.55351 15.69955 12.66920 1.000 20.29566 H ? B ? . H473 1
   HETATM 2057 H481 . RAP A 501 ? 0.73508 12.38703 9.85433 1.000 17.05598 H ? B ? . H481 1
   HETATM 2058 H482 . RAP A 501 ? -0.04554 12.38266 11.21707 1.000 17.05598 H ? B ? . H482 1
   HETATM 2059 H483 . RAP A 501 ? 0.18290 13.73236 10.44731 1.000 17.05598 H ? B ? . H483 1
   HETATM 2060 H491 . RAP A 501 ? 5.05628 11.63270 15.21191 1.000 16.02244 H ? B ? . H491 1
   HETATM 2061 H492 . RAP A 501 ? 6.47068 11.01835 15.47059 1.000 16.02244 H ? B ? . H492 1
   HETATM 2062 H493 . RAP A 501 ? 5.25106 10.08144 15.18842 1.000 16.02244 H ? B ? . H493 1
   HETATM 2063 H501 . RAP A 501 ? -2.46327 12.21592 18.46404 1.000 20.19405 H ? B ? . H501 1
   HETATM 2064 H502 . RAP A 501 ? -1.02279 12.81689 18.43843 1.000 20.19405 H ? B ? . H502 1
   HETATM 2065 H503 . RAP A 501 ? -2.04671 13.19620 17.32285 1.000 20.19405 H ? B ? . H503 1
   HETATM 2066 H511 . RAP A 501 ? 6.01294 19.31614 8.42125 1.000 27.73762 H ? B ? . H511 1
   HETATM 2067 H512 . RAP A 501 ? 4.44789 19.23829 8.54458 1.000 27.73762 H ? B ? . H512 1
   HETATM 2068 H513 . RAP A 501 ? 5.33766 19.27100 9.83992 1.000 27.73762 H ? B ? . H513 1
   HETATM 2069 H521 . RAP A 501 ? 9.00851 17.18975 10.18950 1.000 21.81923 H ? B ? . H521 1
   HETATM 2070 H522 . RAP A 501 ? 7.96405 16.40926 11.06267 1.000 21.81923 H ? B ? . H522 1
   HETATM 2071 H523 . RAP A 501 ? 7.80976 16.44668 9.50149 1.000 21.81923 H ? B ? . H523 1
   HETATM 2072 C1 . GOL A 1001 ? 17.93339 9.71458 14.72780 1.000 35.88847 C ? C ? . C1 1
   HETATM 2073 C2 . GOL A 1001 ? 19.41304 9.61185 14.45621 1.000 39.76024 C ? C ? . C2 1
   HETATM 2074 C3 . GOL A 1001 ? 19.74832 8.24353 13.89471 1.000 38.50865 C ? C ? . C3 1
   HETATM 2075 O1 . GOL A 1001 ? 17.57681 9.20462 15.99751 1.000 23.71230 O ? C ? . O1 1
   HETATM 2076 O2 . GOL A 1001 ? 20.15324 9.93191 15.60937 1.000 38.13917 O ? C ? . O2 1
   HETATM 2077 O3 . GOL A 1001 ? 19.68476 7.30373 14.94738 1.000 25.63892 O ? C ? . O3 1
   HETATM 2078 O . HOH A 1002 ? 12.29972 7.14635 9.93230 1.000 11.89731 O ? D ? . O 1
   HETATM 2079 O . HOH A 1003 ? 20.27492 7.48696 22.41134 1.000 13.04228 O ? D ? . O 1
   HETATM 2080 O . HOH A 1004 ? -0.00239 -6.24282 -2.92245 1.000 10.82207 O ? D ? . O 1
   HETATM 2081 O . HOH A 1005 ? 12.03960 3.63526 16.69535 1.000 9.83554 O ? D ? . O 1
   HETATM 2082 O . HOH A 1006 ? 13.95169 -2.38363 4.09842 1.000 14.37995 O ? D ? . O 1
   HETATM 2083 O . HOH A 1007 ? 13.61374 4.51747 18.69913 1.000 7.46946 O ? D ? . O 1
   HETATM 2084 O . HOH A 1008 ? 6.83977 -8.02419 9.61652 1.000 10.84313 O ? D ? . O 1
   HETATM 2085 O . HOH A 1009 ? -4.21855 -5.14481 14.85823 1.000 15.28030 O ? D ? . O 1
   HETATM 2086 O . HOH A 1010 ? 15.64457 -2.78774 18.48883 0.980 12.93767 O ? D ? . O 1
   HETATM 2087 O . HOH A 1011 ? 3.18696 -6.27013 -0.58082 0.946 11.72422 O ? D ? . O 1
   HETATM 2088 O . HOH A 1012 ? 8.83803 0.26585 -1.23316 0.996 12.06164 O ? D ? . O 1
   HETATM 2089 O . HOH A 1013 ? -1.28805 -8.41223 -1.85025 1.000 15.07275 O ? D ? . O 1
   HETATM 2090 O . HOH A 1014 ? 12.44241 -1.20619 2.19496 1.000 17.70130 O ? D ? . O 1
   HETATM 2091 O . HOH A 1015 ? 12.59643 -2.83947 20.47253 1.000 12.49093 O ? D ? . O 1
   HETATM 2092 O . HOH A 1016 ? -7.92367 -9.99428 1.21017 1.000 16.41897 O ? D ? . O 1
   HETATM 2093 O . HOH A 1017 ? 9.69136 -7.81981 3.44688 0.986 17.78439 O ? D ? . O 1
   HETATM 2094 O . HOH A 1018 ? 12.83478 -4.98684 10.34359 0.967 15.05377 O ? D ? . O 1
   HETATM 2095 O . HOH A 1019 ? 12.94927 -5.56160 20.10343 1.000 18.72769 O ? D ? . O 1
   HETATM 2096 O . HOH A 1020 ? 14.50972 -2.24615 22.35045 0.894 16.79468 O ? D ? . O 1
   HETATM 2097 O . HOH A 1021 ? 0.93302 7.64548 20.59041 0.951 16.56200 O ? D ? . O 1
   HETATM 2098 O . HOH A 1022 ? -0.81729 0.97964 -9.28187 1.000 17.31764 O ? D ? . O 1
   HETATM 2099 O . HOH A 1023 ? -2.35333 9.08694 17.34392 1.000 18.71489 O ? D ? . O 1
   HETATM 2100 O . HOH A 1024 ? 10.56735 -3.63689 22.13506 0.908 19.94660 O ? D ? . O 1
   HETATM 2101 O . HOH A 1025 ? 14.45534 0.21811 23.26053 1.000 14.63141 O ? D ? . O 1
   HETATM 2102 O . HOH A 1026 ? 6.95014 -2.32482 25.67877 0.970 17.75784 O ? D ? . O 1
   HETATM 2103 O . HOH A 1027 ? 18.78021 3.55206 14.70853 0.796 11.94119 O ? D ? . O 1
   HETATM 2105 O . HOH A 1029 ? 3.25599 -10.97026 15.79124 1.000 25.08740 O ? D ? . O 1
   HETATM 2106 O . HOH A 1030 ? 3.16475 -8.31752 17.58508 0.990 20.68711 O ? D ? . O 1
   HETATM 2107 O . HOH A 1031 ? 5.75150 -6.91351 0.26073 0.981 12.19997 O ? D ? . O 1
   HETATM 2108 O . HOH A 1032 ? 0.94401 6.43352 23.01953 0.735 16.27850 O ? D ? . O 1
   HETATM 2109 O . HOH A 1033 ? 5.03458 10.86594 3.31465 0.812 14.82988 O ? D ? . O 1
   HETATM 2110 O . HOH A 1034 ? 19.25318 3.29455 17.43933 0.640 10.58681 O ? D ? . O 1
   HETATM 2111 O . HOH A 1035 ? -7.74109 -8.96798 7.35771 0.730 13.57738 O ? D ? . O 1
   HETATM 2112 O . HOH A 1036 ? 12.97361 10.83383 22.53027 0.990 19.80914 O ? D ? . O 1
   HETATM 2113 O . HOH A 1037 ? 9.72994 12.16734 16.40631 0.926 17.92358 O ? D ? . O 1
   HETATM 2114 O . HOH A 1038 ? -9.90047 -2.75382 2.78507 0.952 30.13122 O ? D ? . O 1
   HETATM 2115 O . HOH A 1039 ? 8.86924 -9.56709 12.91531 1.000 28.16556 O ? D ? . O 1
   HETATM 2116 O . HOH A 1040 ? -4.98607 -2.87758 13.43967 0.904 17.31276 O ? D ? . O 1
   HETATM 2117 O . HOH A 1041 ? -0.47510 12.78751 7.31051 0.658 15.82866 O ? D ? . O 1
   HETATM 2118 O . HOH A 1042 ? 10.81270 -3.57277 2.17675 0.894 16.85502 O ? D ? . O 1
   HETATM 2119 O . HOH A 1043 ? -1.64665 -13.54900 0.98707 0.798 17.03938 O ? D ? . O 1
   HETATM 2120 O . HOH A 1044 ? 12.59116 11.42737 16.81372 0.854 22.49354 O ? D ? . O 1
   HETATM 2121 O . HOH A 1045 ? 18.26326 -0.19726 12.97855 0.871 21.81362 O ? D ? . O 1
   HETATM 2122 O . HOH A 1046 ? 8.43187 -10.97122 4.47000 0.936 28.04999 O ? D ? . O 1
   HETATM 2124 O . HOH A 1048 ? 4.88262 -10.11629 20.73945 0.950 32.25884 O ? D ? . O 1
   HETATM 2125 O . HOH A 1049 ? -5.45344 -0.28459 -10.55169 1.000 25.07016 O ? D ? . O 1
   HETATM 2127 O . HOH A 1051 ? 4.97004 4.22506 25.09593 0.991 26.38157 O ? D ? . O 1
   HETATM 2129 O . HOH A 1053 ? 17.30146 -3.72091 16.37665 0.905 20.83274 O ? D ? . O 1
   HETATM 2130 O . HOH A 1054 ? 6.50159 16.29979 6.60760 0.901 21.89596 O ? D ? . O 1
   HETATM 2131 O . HOH A 1055 ? 15.10293 7.88887 12.85156 0.946 27.18907 O ? D ? . O 1
   HETATM 2132 O . HOH A 1056 ? -0.41222 -9.41621 -8.12720 1.000 22.33715 O ? D ? . O 1
   HETATM 2133 O . HOH A 1057 ? 0.82492 -9.62196 -0.68323 0.809 19.70717 O ? D ? . O 1
   HETATM 2134 O . HOH A 1058 ? 15.05291 4.15898 0.30196 0.865 28.41603 O ? D ? . O 1
   HETATM 2135 O . HOH A 1059 ? -1.45077 -14.00622 5.83649 0.685 17.59278 O ? D ? . O 1
   HETATM 2136 O . HOH A 1060 ? -10.88084 -2.08197 8.57644 0.856 20.23384 O ? D ? . O 1
   HETATM 2137 O . HOH A 1061 ? -1.78759 -9.84951 -3.96935 0.976 19.65355 O ? D ? . O 1
   HETATM 2138 O . HOH A 1062 ? -6.37951 -1.90044 17.51590 0.876 21.54457 O ? D ? . O 1
   HETATM 2140 O . HOH A 1064 ? 5.77358 -8.00335 18.27033 0.972 20.05358 O ? D ? . O 1
   HETATM 2141 O . HOH A 1065 ? 12.22619 8.49397 23.98284 1.000 26.33573 O ? D ? . O 1
   HETATM 2142 O . HOH A 1066 ? 8.19591 4.97735 -0.51500 0.680 22.86519 O ? D ? . O 1
   HETATM 2143 O . HOH A 1067 ? 9.31454 -6.68367 0.48640 0.822 22.42274 O ? D ? . O 1
   HETATM 2145 O . HOH A 1069 ? 9.23238 -9.32857 15.54146 0.936 25.15703 O ? D ? . O 1
   HETATM 2146 O . HOH A 1070 ? 17.25936 6.78010 11.45394 0.992 29.50606 O ? D ? . O 1
   HETATM 2147 O . HOH A 1071 ? 4.14965 -11.52271 2.78743 0.850 17.82979 O ? D ? . O 1
   HETATM 2149 O . HOH A 1073 ? 11.77320 11.13458 7.73777 0.950 24.32572 O ? D ? . O 1
   HETATM 2150 O . HOH A 1074 ? 12.51490 14.33191 18.28601 0.932 25.41916 O ? D ? . O 1
   HETATM 2151 O . HOH A 1075 ? -4.70044 -2.75238 10.48188 1.000 16.12276 O ? D ? . O 1
   HETATM 2152 O . HOH A 1076 ? 19.38673 8.65124 25.01814 0.984 21.94782 O ? D ? . O 1
   HETATM 2153 O . HOH A 1077 ? 9.04857 1.60028 26.50113 0.737 12.70197 O ? D ? . O 1
   HETATM 2154 O . HOH A 1078 ? 0.46799 -9.54824 -5.60857 0.946 16.13199 O ? D ? . O 1
   HETATM 2155 O . HOH A 1079 ? -8.35062 -4.01718 16.63466 0.966 23.87035 O ? D ? . O 1
   HETATM 2156 O . HOH A 1080 ? -2.48138 14.47478 7.21276 1.000 18.66573 O ? D ? . O 1
   HETATM 2157 O . HOH A 1081 ? 0.32807 -3.64470 -10.34822 0.867 20.44180 O ? D ? . O 1
   HETATM 2158 O . HOH A 1082 ? -7.33037 -5.83411 4.53258 0.486 16.76274 O ? D ? . O 1
   HETATM 2160 O . HOH A 1084 ? 12.69702 14.87868 5.51850 0.953 34.77640 O ? D ? . O 1
   HETATM 2161 O . HOH A 1085 ? -4.82188 4.35060 20.33161 0.941 26.66246 O ? D ? . O 1
   HETATM 2162 O . HOH A 1086 ? 10.65501 -0.40781 25.33632 0.651 15.48280 O ? D ? . O 1
   HETATM 2163 O . HOH A 1087 ? 11.64986 9.85831 10.17967 0.849 19.36283 O ? D ? . O 1
   HETATM 2164 O . HOH A 1088 ? -10.89771 1.22006 -1.39662 0.684 20.91306 O ? D ? . O 1
   HETATM 2165 O . HOH A 1089 ? -5.38394 5.18383 -7.53733 0.998 32.73169 O ? D ? . O 1
   HETATM 2166 O . HOH A 1090 ? 12.97331 -7.75863 14.44380 0.952 22.37769 O ? D ? . O 1
   HETATM 2167 O . HOH A 1091 ? -12.79141 2.98637 21.19361 0.969 27.60807 O ? D ? . O 1
   HETATM 2168 O . HOH A 1092 ? -3.90871 11.79635 9.42395 1.000 26.18040 O ? D ? . O 1
   HETATM 2169 O . HOH A 1093 ? -7.02690 -5.45742 14.91784 0.799 18.24186 O ? D ? . O 1
   HETATM 2170 O . HOH A 1094 ? -9.12362 3.38912 -3.45359 0.974 20.52432 O ? D ? . O 1
   HETATM 2171 O . HOH A 1095 ? -15.27991 7.29441 18.01329 0.996 34.85692 O ? D ? . O 1
   HETATM 2172 O . HOH A 1096 ? -1.17515 15.51671 4.74383 1.000 25.89126 O ? D ? . O 1
   HETATM 2173 O . HOH A 1097 ? 6.20241 -12.77633 4.16401 0.643 18.12436 O ? D ? . O 1
   HETATM 2175 O . HOH A 1099 ? -9.17052 -7.47897 5.26306 0.943 26.77426 O ? D ? . O 1
   HETATM 2176 O . HOH A 1101 ? 2.32166 5.38908 25.03538 1.000 26.79267 O ? D ? . O 1
   HETATM 2177 O . HOH A 1102 ? 5.39037 -14.03839 6.85095 0.902 28.56371 O ? D ? . O 1
   HETATM 2179 O . HOH A 1104 ? 9.79825 -3.00384 24.82140 0.873 23.01309 O ? D ? . O 1
   HETATM 2180 O . HOH A 1105 ? -12.55861 0.76693 14.27743 1.000 30.80760 O ? D ? . O 1
   HETATM 2181 O . HOH A 1106 ? 7.37823 5.85546 -3.10756 0.935 26.81026 O ? D ? . O 1
   HETATM 2182 O . HOH A 1107 ? 15.27883 -4.33519 14.30957 0.754 21.61471 O ? D ? . O 1
   HETATM 2183 O . HOH A 1108 ? 14.44672 -5.97670 16.29527 0.576 19.49538 O ? D ? . O 1
   HETATM 2184 O . HOH A 1109 ? -8.89702 -4.42757 -2.88247 0.922 29.79161 O ? D ? . O 1
   HETATM 2185 O . HOH A 1110 ? -7.48802 13.75379 1.81445 0.677 20.52599 O ? D ? . O 1
   HETATM 2186 O . HOH A 1111 ? 6.77335 -9.64106 16.36206 0.831 22.08549 O ? D ? . O 1
   HETATM 2188 O . HOH A 1113 ? 10.10493 14.91345 18.14196 0.903 23.70186 O ? D ? . O 1
   HETATM 2189 O . HOH A 1114 ? -8.01872 -7.97834 13.57692 0.927 34.38439 O ? D ? . O 1
   HETATM 2190 O . HOH A 1115 ? -8.93396 -9.75290 11.58931 0.745 24.35946 O ? D ? . O 1
   HETATM 2191 O . HOH A 1116 ? 9.12600 17.16391 6.27499 0.909 28.45252 O ? D ? . O 1
   HETATM 2192 O . HOH A 1118 ? 7.03300 -9.03846 -1.06469 0.699 21.78498 O ? D ? . O 1
   HETATM 2193 O . HOH A 1119 ? 5.05603 -12.94367 15.34343 0.889 23.64216 O ? D ? . O 1
   HETATM 2194 O . HOH A 1120 ? 14.16276 14.83731 20.69316 0.744 30.86482 O ? D ? . O 1
   HETATM 2195 O . HOH A 1121 ? 16.84729 5.73794 7.72910 0.767 18.47608 O ? D ? . O 1
   HETATM 2197 O . HOH A 1123 ? -1.11466 -12.94685 -3.29423 0.920 22.11712 O ? D ? . O 1
   HETATM 2203 O . HOH A 1129 ? -11.77113 -0.73517 12.46158 0.683 22.96244 O ? D ? . O 1
   HETATM 2204 O . HOH A 1130 ? -9.71223 -5.68768 12.41016 0.817 25.97096 O ? D ? . O 1
   HETATM 2205 O . HOH A 1131 ? 5.14551 4.80813 -4.74887 0.799 25.36792 O ? D ? . O 1
   HETATM 2206 O . HOH A 1132 ? 19.29014 5.53027 13.19084 0.890 28.27869 O ? D ? . O 1
   HETATM 2207 O . HOH A 1133 ? 14.29815 7.91103 2.35719 0.963 30.95150 O ? D ? . O 1
   HETATM 2209 O . HOH A 1135 ? 11.69072 8.60530 4.08593 0.791 28.27282 O ? D ? . O 1
   HETATM 2211 O . HOH A 1137 ? 0.00579 -3.07606 25.47533 0.895 28.34354 O ? D ? . O 1
   HETATM 2213 O . HOH A 1139 ? 15.95633 -5.01700 19.86842 1.000 20.87130 O ? D ? . O 1
   HETATM 2216 O . HOH A 1142 ? 6.74593 0.28971 26.54578 0.685 22.74404 O ? D ? . O 1
   HETATM 2217 O . HOH A 1143 ? 9.53300 2.80055 -1.69336 0.532 17.77460 O ? D ? . O 1
   HETATM 2218 O . HOH A 1144 ? 1.62254 1.81149 25.99712 0.997 34.39828 O ? D ? . O 1
   HETATM 2219 O . HOH A 1145 ? 10.36544 9.57649 6.16848 0.554 17.13958 O ? D ? . O 1
   HETATM 2220 O . HOH A 1147 ? 0.45316 -12.44416 -0.58070 0.986 25.78850 O ? D ? . O 1
   HETATM 2222 O . HOH A 1149 ? -13.24118 3.56323 11.00663 1.000 36.17531 O ? D ? . O 1
   HETATM 2223 O . HOH A 1150 ? -3.40282 1.57897 -10.21871 0.954 32.46389 O ? D ? . O 1
   HETATM 2226 O . HOH A 1154 ? -11.75326 0.30282 20.92680 0.897 37.56000 O ? D ? . O 1
   HETATM 2227 O . HOH A 1156 ? 11.27304 15.37151 8.00093 0.921 32.93352 O ? D ? . O 1
   HETATM 2230 O . HOH A 1160 ? -2.65992 4.84498 -7.49263 0.772 20.11557 O ? D ? . O 1
   HETATM 2231 O . HOH A 1161 ? -10.15249 -1.47350 0.82822 0.817 20.90890 O ? D ? . O 1
   HETATM 3375 O . HOH S 1164 ? 7.63785 9.90808 5.10132 0.449 15.75654 O ? E ? . O 1
   HETATM 3381 O . HOH S 1170 ? 3.18048 -15.29397 6.83089 0.836 25.02446 O ? E ? . O 1
   HETATM 3382 O . HOH S 1171 ? 4.54989 -13.82702 10.48844 0.757 19.06592 O ? E ? . O 1
   HETATM 3384 O . HOH S 1173 ? 12.61513 -6.50969 22.38484 0.984 33.43813 O ? E ? . O 1
   HETATM 3385 O . HOH S 1174 ? -12.55423 9.44647 2.69871 1.000 38.40772 O ? E ? . O 1
   HETATM 3386 O . HOH S 1175 ? -7.61003 10.93920 10.46423 0.678 23.16864 O ? E ? . O 1
   HETATM 3388 O . HOH S 1177 ? 14.84747 7.05178 8.96607 0.651 18.95867 O ? E ? . O 1
   HETATM 3390 O . HOH S 1179 ? 12.45183 -7.93027 10.08505 0.402 16.58996 O ? E ? . O 1
   HETATM 3391 O . HOH S 1180 ? 16.83721 11.31225 22.68856 0.852 27.09101 O ? E ? . O 1
   HETATM 3392 O . HOH S 1181 ? 0.23532 11.61714 -7.27370 0.926 35.73100 O ? E ? . O 1
   HETATM 3397 O . HOH S 1186 ? -9.04989 -11.43092 -0.71428 0.652 23.71050 O ? E ? . O 1
   HETATM 3398 O . HOH S 1187 ? 16.64092 -1.57774 3.78222 0.998 41.14898 O ? E ? . O 1
   HETATM 3401 O . HOH S 1190 ? 18.49222 -3.61726 12.41024 0.942 27.40826 O ? E ? . O 1
   HETATM 3404 O . HOH S 1193 ? -10.23962 9.75550 8.60485 0.925 27.86258 O ? E ? . O 1
   HETATM 3405 O . HOH S 1194 ? 11.18965 16.52810 3.73703 0.947 37.44273 O ? E ? . O 1
   HETATM 3410 O . HOH S 1199 ? -0.03235 3.56773 -9.51229 0.680 27.86395 O ? E ? . O 1
   HETATM 3413 O . HOH S 1202 ? 10.10134 -6.45839 23.66523 0.625 26.30638 O ? E ? . O 1
   HETATM 3414 O . HOH S 1203 ? -3.75313 6.22573 21.57761 0.992 36.23140 O ? E ? . O 1
   HETATM 3420 O . HOH S 1209 ? 4.30237 1.89153 26.31921 0.895 29.69062 O ? E ? . O 1
   HETATM 3421 O . HOH S 1210 ? -12.49269 10.52052 4.96773 0.984 36.76745 O ? E ? . O 1
   HETATM 3422 O . HOH S 1211 ? 1.99619 4.38402 -8.30956 0.475 18.10679 O ? E ? . O 1
   HETATM 3423 O . HOH S 1212 ? -8.17034 -7.43026 2.80331 0.538 18.71785 O ? E ? . O 1
   HETATM 3425 O . HOH S 1214 ? 0.27553 -0.57677 -11.28086 0.822 33.39006 O ? E ? . O 1
   HETATM 3432 O . HOH S 1221 ? -9.92836 -8.53684 1.54799 0.652 34.19894 O ? E ? . O 1
   HETATM 3436 O . HOH S 1225 ? 4.95188 -10.17061 -2.07757 0.919 33.63607 O ? E ? . O 1
   HETATM 3438 O . HOH S 1227 ? -13.38868 -1.86692 21.65474 0.594 32.53272 O ? E ? . O 1
   HETATM 3440 O . HOH S 1229 ? -1.53063 6.91486 21.01110 0.548 28.20290 O ? E ? . O 1
   HETATM 3441 O . HOH S 1230 ? -1.74152 17.57190 3.18347 0.961 32.41094 O ? E ? . O 1
   HETATM 3470 O . HOH S 1231 ? 4.24779 2.67079 -4.54006 1.000 19.07055 O ? F ? . O 1
   HETATM 3472 O . HOH S 1233 ? -5.77769 12.08154 14.85268 1.000 23.02853 O ? F ? . O 1
   HETATM 3473 O . HOH S 1234 ? 3.96364 -9.09968 1.76281 0.490 17.79274 O ? F ? . O 1
   HETATM 3476 O . HOH S 1237 ? 5.13429 -14.39065 13.42623 0.978 30.55696 O ? F ? . O 1
   HETATM 3479 O . HOH S 1240 ? -0.06056 -4.89686 -12.52383 0.732 27.18350 O ? F ? . O 1
   HETATM 3481 O . HOH S 1242 ? 10.20623 11.04277 -6.99620 0.762 39.36642 O ? F ? . O 1
   HETATM 3488 O . HOH S 1249 ? 12.83674 -4.33273 23.35296 0.558 28.82067 O ? F ? . O 1
   HETATM 3489 O . HOH S 1250 ? 9.09128 -13.16109 9.70491 0.706 31.16256 O ? F ? . O 1
   HETATM 3495 O . HOH S 1256 ? 11.73423 -9.01283 21.52405 1.000 36.72057 O ? F ? . O 1
   HETATM 3502 O . HOH S 1263 ? 1.67959 -1.36056 -13.19108 0.537 19.21576 O ? F ? . O 1
   HETATM 3505 O . HOH S 1266 ? -3.57343 -14.08932 -2.92004 0.385 19.02547 O ? F ? . O 1
   HETATM 3511 O . HOH S 1272 ? 18.21414 8.01711 7.19305 1.000 41.47576 O ? F ? . O 1
   HETATM 3524 O . HOH S 1274 ? 6.26036 -9.42768 1.66329 0.539 14.97857 O ? G ? . O 1
   HETATM 3525 O . HOH S 1275 ? 6.90632 8.05396 0.59148 0.541 19.32462 O ? G ? . O 1
   HETATM 3526 O . HOH S 1276 ? 3.68884 10.93543 -8.66036 0.839 32.24363 O ? G ? . O 1
   HETATM 3527 O . HOH S 1277 ? 17.62178 -4.27403 9.85964 1.000 32.17202 O ? G ? . O 1
   HETATM 3528 O . HOH S 1278 ? -0.54796 18.88864 1.44918 0.711 32.69876 O ? G ? . O 1
   HETATM 3529 O . HOH S 1279 ? -6.33868 9.22894 -4.80286 0.509 28.58608 O ? G ? . O 1
   HETATM 3532 O . HOH S 1282 ? 11.87001 -7.79982 -0.64553 1.000 32.85494 O ? G ? . O 1
   HETATM 3534 O . HOH S 1284 ? -7.89505 13.10173 15.43440 0.450 24.01102 O ? G ? . O 1
   HETATM 3536 O . HOH S 1286 ? 15.23914 6.69474 -0.12674 0.479 21.99486 O ? G ? . O 1
   HETATM 3537 O . HOH S 1287 ? -8.74165 -4.75383 3.03718 0.328 21.59249 O ? G ? . O 1
   HETATM 3539 O . HOH S 1289 ? 9.91033 12.53848 13.91631 0.576 23.65585 O ? G ? . O 1
   HETATM 3540 O . HOH S 1290 ? 8.21401 -10.91851 18.16799 0.517 25.44144 O ? G ? . O 1
   HETATM 3552 O . HOH S 1302 ? 3.42799 -12.15230 0.15156 0.663 23.15780 O ? G ? . O 1
   HETATM 3554 O . HOH S 1304 ? -14.36556 2.06755 12.77684 0.741 35.04842 O ? G ? . O 1
   HETATM 3555 O . HOH S 1305 ? -11.00502 -0.75109 17.81330 0.577 29.75313 O ? G ? . O 1
   HETATM 3556 O . HOH S 1306 ? -5.72586 -12.77556 -3.53907 0.692 27.48513 O ? G ? . O 1
   HETATM 3573 O . HOH S 1309 ? 2.25654 -4.65178 29.89487 1.000 34.79001 O ? H ? . O 1
   HETATM 3574 O . HOH S 1310 ? -6.10895 12.35322 8.81658 0.914 36.63876 O ? H ? . O 1
   HETATM 3579 O . HOH S 1315 ? 4.83329 17.62579 5.31278 0.605 27.37520 O ? H ? . O 1
   HETATM 3580 O . HOH S 1316 ? 15.23445 10.12797 14.47112 0.685 27.93156 O ? H ? . O 1
   HETATM 3588 O . HOH S 1324 ? 15.29311 0.48188 1.89137 0.758 31.21537 O ? H ? . O 1
   HETATM 3589 O . HOH S 1325 ? -16.13226 8.18141 15.74633 0.668 36.36452 O ? H ? . O 1
   HETATM 3593 O . HOH S 1329 ? 14.00497 -5.80803 7.69512 0.622 26.15737 O ? H ? . O 1
   HETATM 3597 O . HOH S 1333 ? -15.12125 0.53069 14.61878 0.435 22.49979 O ? H ? . O 1
   HETATM 3598 O . HOH S 1334 ? 2.28147 -3.19897 32.47301 0.576 26.87736 O ? H ? . O 1
   HETATM 3599 O . HOH S 1335 ? -10.91791 -4.86252 15.12372 0.389 15.33587 O ? H ? . O 1
   HETATM 3600 O . HOH S 1336 ? -11.23122 -0.71270 23.10501 0.495 26.73341 O ? H ? . O 1
   HETATM 3602 O . HOH S 1338 ? -12.98287 -1.19952 18.97039 0.331 30.19823 O ? H ? . O 1
   HETATM 3605 O . HOH S 1341 ? -14.56828 -3.80953 20.49651 0.559 32.64820 O ? H ? . O 1
   HETATM 3608 O . HOH S 1344 ? 0.80870 -15.15253 6.06679 0.353 24.65408 O ? H ? . O 1
   HETATM 3610 O . HOH S 1346 ? -9.65195 -6.02789 1.09381 0.431 20.06778 O ? H ? . O 1
   HETATM 3624 O . HOH S 1347 ? 9.82083 -12.32225 19.02899 0.766 24.98626 O ? I ? . O 1
   HETATM 3627 O . HOH S 1350 ? 0.07885 -14.41380 3.41718 0.565 23.66289 O ? I ? . O 1
   HETATM 3628 O . HOH S 1351 ? -5.10033 7.84434 13.16300 0.531 31.14758 O ? I ? . O 1
   HETATM 3637 O . HOH S 1360 ? -14.08507 0.06765 20.56478 0.368 22.97523 O ? I ? . O 1
   HETATM 3638 O . HOH S 1361 ? -3.85397 -10.02734 -5.06843 0.582 26.93733 O ? I ? . O 1
   HETATM 3642 O . HOH S 1365 ? 12.20033 3.29191 7.34440 0.266 11.97278 O ? I ? . O 1
   HETATM 3646 O . HOH S 1369 ? 13.54550 16.21704 22.72558 0.618 32.92788 O ? I ? . O 1
   HETATM 3647 O . HOH S 1370 ? -17.09570 2.83887 14.24821 0.538 31.19858 O ? I ? . O 1
   HETATM 3649 O . HOH S 1372 ? 2.56072 1.94090 -4.89063 0.344 18.79046 O ? I ? . O 1
   HETATM 3652 O . HOH S 1375 ? -14.59637 10.34213 3.57260 0.507 29.09698 O ? I ? . O 1
   HETATM 3654 O . HOH S 1377 ? 11.05180 10.81697 -9.47168 0.716 37.61934 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 .

