data_3uqi_qFit
_cell.length_a                    29.826
_cell.length_b                    38.677
_cell.length_c                    79.589
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      91812.287
_space_group.crystal_system       orthorhombic
_space_group.IT_number            19
_space_group.name_H-M_alt         'P 21 21 21'
_space_group.name_Hall            ' P 2ac 2ab'
_symmetry.space_group_name_H-M    'P 21 21 21'
_symmetry.space_group_name_Hall   ' P 2ac 2ab'
_symmetry.Int_Tables_number       19
_reflns.B_iso_Wilson_estimate     14.51
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              23.87
_refine.ls_d_res_high             1.30
_refine.pdbx_ls_sigma_F           1.36
_refine.ls_percent_reflns_obs     98.81
_refine.ls_number_reflns_obs      23008
_refine.ls_number_reflns_R_work   21008
_refine.ls_number_reflns_R_free   2000
_refine.ls_R_factor_obs           0.2225
_refine.ls_R_factor_R_work        0.2202
_refine.ls_R_factor_R_free        0.2465
_refine.ls_percent_reflns_R_free  8.69
_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             0.1703
_refine.pdbx_overall_phase_error  26.8529
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                20.75
_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 1009 0.0071 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1384 0.9598 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 147 0.0792 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 187 0.0112 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 382 12.6097 ? ?

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' 3.14 23.87 1647 0.1861 99.39 0.2171 157
   'X-RAY DIFFRACTION' 2.49 3.14 1542 0.2086 99.59 0.2342 147
   'X-RAY DIFFRACTION' 2.18 2.49 1533 0.2004 99.76 0.2270 146
   'X-RAY DIFFRACTION' 1.98 2.17 1511 0.2195 99.40 0.2381 144
   'X-RAY DIFFRACTION' 1.83 1.98 1525 0.2245 99.70 0.2514 145
   'X-RAY DIFFRACTION' 1.73 1.83 1510 0.2463 99.52 0.2646 143
   'X-RAY DIFFRACTION' 1.64 1.73 1492 0.2532 99.63 0.2652 142
   'X-RAY DIFFRACTION' 1.57 1.64 1485 0.2559 99.45 0.2756 142
   'X-RAY DIFFRACTION' 1.51 1.57 1505 0.2631 99.34 0.3030 142
   'X-RAY DIFFRACTION' 1.46 1.51 1484 0.2820 99.21 0.3238 143
   'X-RAY DIFFRACTION' 1.41 1.46 1485 0.2889 98.84 0.3444 140
   'X-RAY DIFFRACTION' 1.37 1.41 1450 0.2954 98.39 0.3748 139
   'X-RAY DIFFRACTION' 1.33 1.37 1462 0.3093 97.86 0.2875 139
   'X-RAY DIFFRACTION' 1.30 1.33 1377 0.3205 93.09 0.3163 131

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

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

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   MPO
   PHE
   PRO
   SER
   SO4
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . MET A 1 ? 6.79747 18.22207 10.24818 1.000 72.88524 N ? A ? 1 N 1
   ATOM 2 CA . MET A 1 ? 6.06288 17.12132 9.61109 1.000 55.79451 C ? A ? 1 CA 1
   ATOM 3 C . MET A 1 ? 6.46527 15.76099 10.11542 1.000 44.72742 C ? A ? 1 C 1
   ATOM 4 O . MET A 1 ? 7.64663 15.41508 10.14748 1.000 49.81783 O ? A ? 1 O 1
   ATOM 5 CB . MET A 1 ? 6.40106 17.20210 8.10787 1.000 61.80519 C ? A ? 1 CB 1
   ATOM 6 CG . MET A 1 ? 5.70782 18.33220 7.36065 1.000 74.85674 C ? A ? 1 CG 1
   ATOM 7 SD . MET A 1 ? 6.81623 18.95661 6.08969 1.000 89.94628 S ? A ? 1 SD 1
   ATOM 8 CE . MET A 1 ? 7.02916 20.60328 6.74366 1.000 72.38352 C ? A ? 1 CE 1
   ATOM 9 H1 . MET A 1 ? 6.54311 18.99558 9.88890 1.000 87.43920 H ? A ? 1 H1 1
   ATOM 10 H2 . MET A 1 ? 6.62345 18.22887 11.12098 1.000 87.43920 H ? A ? 1 H2 1
   ATOM 11 H3 . MET A 1 ? 7.67097 18.10873 10.12070 1.000 87.43920 H ? A ? 1 H3 1
   ATOM 12 HA . MET A 1 ? 5.11450 17.21665 9.79109 1.000 66.93033 H ? A ? 1 HA 1
   ATOM 13 HB2 . MET A 1 ? 7.35756 17.33305 8.01371 1.000 74.14314 H ? A ? 1 HB2 1
   ATOM 14 HB3 . MET A 1 ? 6.13732 16.36873 7.68736 1.000 74.14314 H ? A ? 1 HB3 1
   ATOM 15 HG2 . MET A 1 ? 4.89824 18.00279 6.93998 1.000 89.80501 H ? A ? 1 HG2 1
   ATOM 16 HG3 . MET A 1 ? 5.49347 19.05198 7.97454 1.000 89.80501 H ? A ? 1 HG3 1
   ATOM 17 HE1 . MET A 1 ? 7.60999 21.10574 6.15115 1.000 86.83715 H ? A ? 1 HE1 1
   ATOM 18 HE2 . MET A 1 ? 6.16230 21.03473 6.80128 1.000 86.83715 H ? A ? 1 HE2 1
   ATOM 19 HE3 . MET A 1 ? 7.42822 20.54360 7.62576 1.000 86.83715 H ? A ? 1 HE3 1
   ATOM 20 N . GLY A 2 ? 5.45385 14.98971 10.50844 1.000 39.62125 N ? A ? 2 N 1
   ATOM 21 CA . GLY A 2 ? 5.71282 13.75762 11.23073 1.000 26.72229 C ? A ? 2 CA 1
   ATOM 22 C . GLY A 2 ? 6.59436 12.79666 10.46184 1.000 18.88762 C ? A ? 2 C 1
   ATOM 23 O . GLY A 2 ? 7.58046 12.27789 10.99451 1.000 25.33771 O ? A ? 2 O 1
   ATOM 24 H . GLY A 2 ? 4.62178 15.15733 10.37003 1.000 47.52241 H ? A ? 2 H 1
   ATOM 25 HA2 . GLY A 2 ? 6.15177 13.96637 12.07016 1.000 32.04367 H ? A ? 2 HA2 1
   ATOM 26 HA3 . GLY A 2 ? 4.87051 13.31392 11.41660 1.000 32.04367 H ? A ? 2 HA3 1
   ATOM 27 N . VAL A 3 ? 6.23868 12.52020 9.20999 1.000 19.73650 N ? A ? 3 N 1
   ATOM 28 CA . VAL A 3 ? 7.02617 11.61656 8.37799 1.000 18.18382 C ? A ? 3 CA 1
   ATOM 29 C . VAL A 3 ? 7.10579 12.17821 6.97078 1.000 14.68752 C ? A ? 3 C 1
   ATOM 30 O . VAL A 3 ? 6.12393 12.70342 6.43694 1.000 18.81506 O ? A ? 3 O 1
   ATOM 31 CB . VAL A 3 ? 6.47751 10.16903 8.38309 1.000 21.56585 C ? A ? 3 CB 1
   ATOM 32 CG1 . VAL A 3 ? 5.10420 10.10620 7.75381 1.000 19.54881 C ? A ? 3 CG1 1
   ATOM 33 CG2 . VAL A 3 ? 7.44352 9.23235 7.66044 1.000 20.79370 C ? A ? 3 CG2 1
   ATOM 34 H . VAL A 3 ? 5.54404 12.84473 8.82042 1.000 23.66072 H ? A ? 3 H 1
   ATOM 35 HA . VAL A 3 ? 7.92798 11.58227 8.73362 1.000 21.79751 H ? A ? 3 HA 1
   ATOM 36 HB . VAL A 3 ? 6.39402 9.87357 9.30321 1.000 25.85593 H ? A ? 3 HB 1
   ATOM 37 HG11 . VAL A 3 ? 4.75384 9.20676 7.84946 1.000 23.43549 H ? A ? 3 HG11 1
   ATOM 38 HG12 . VAL A 3 ? 4.52146 10.73777 8.20374 1.000 23.43549 H ? A ? 3 HG12 1
   ATOM 39 HG13 . VAL A 3 ? 5.17675 10.33471 6.81390 1.000 23.43549 H ? A ? 3 HG13 1
   ATOM 40 HG21 . VAL A 3 ? 7.14135 8.31771 7.77460 1.000 24.92936 H ? A ? 3 HG21 1
   ATOM 41 HG22 . VAL A 3 ? 7.45879 9.46045 6.71776 1.000 24.92936 H ? A ? 3 HG22 1
   ATOM 42 HG23 . VAL A 3 ? 8.32961 9.33788 8.04070 1.000 24.92936 H ? A ? 3 HG23 1
   ATOM 43 N . GLN A 4 ? 8.28916 12.09501 6.39026 1.000 15.54261 N ? A ? 4 N 1
   ATOM 44 CA . GLN A 4 ? 8.52520 12.46398 5.00708 1.000 14.65044 C ? A ? 4 CA 1
   ATOM 45 C . GLN A 4 ? 9.00434 11.23925 4.25616 1.000 15.33603 C ? A ? 4 C 1
   ATOM 46 O . GLN A 4 ? 9.83857 10.48006 4.75073 1.000 14.76697 O ? A ? 4 O 1
   ATOM 47 CB . GLN A 4 ? 9.54676 13.58153 4.92857 1.000 20.21032 C ? A ? 4 CB 1
   ATOM 48 CG . GLN A 4 ? 9.13028 14.75787 5.76601 1.000 27.60382 C ? A ? 4 CG 1
   ATOM 49 CD . GLN A 4 ? 10.19070 15.81384 5.81210 1.000 24.11092 C ? A ? 4 CD 1
   ATOM 50 OE1 . GLN A 4 ? 10.77443 16.07598 6.86092 1.000 37.09527 O ? A ? 4 OE1 1
   ATOM 51 NE2 . GLN A 4 ? 10.45957 16.42600 4.66949 1.000 24.93285 N ? A ? 4 NE2 1
   ATOM 52 H . GLN A 4 ? 8.99708 11.81738 6.79196 1.000 18.62805 H ? A ? 4 H 1
   ATOM 53 HA . GLN A 4 ? 7.71040 12.77661 4.58368 1.000 17.55745 H ? A ? 4 HA 1
   ATOM 54 HB2 . GLN A 4 ? 10.40154 13.25953 5.25504 1.000 24.22930 H ? A ? 4 HB2 1
   ATOM 55 HB3 . GLN A 4 ? 9.63242 13.87498 4.00801 1.000 24.22930 H ? A ? 4 HB3 1
   ATOM 56 HG2 . GLN A 4 ? 8.32736 15.15020 5.38877 1.000 33.10150 H ? A ? 4 HG2 1
   ATOM 57 HG3 . GLN A 4 ? 8.95920 14.45965 6.67303 1.000 33.10150 H ? A ? 4 HG3 1
   ATOM 58 HE21 . GLN A 4 ? 10.03322 16.20916 3.95478 1.000 29.89634 H ? A ? 4 HE21 1
   ATOM 59 HE22 . GLN A 4 ? 11.06059 17.04050 4.64193 1.000 29.89634 H ? A ? 4 HE22 1
   ATOM 60 N . VAL A 5 ? 8.45537 11.06240 3.06820 1.000 15.34689 N ? A ? 5 N 1
   ATOM 61 CA . VAL A 5 ? 8.70877 9.90224 2.24049 1.000 12.74703 C ? A ? 5 CA 1
   ATOM 62 C . VAL A 5 ? 9.40310 10.43253 0.99676 1.000 13.82446 C ? A ? 5 C 1
   ATOM 63 O . VAL A 5 ? 8.78127 11.13591 0.19072 1.000 17.79714 O ? A ? 5 O 1
   ATOM 64 CB . VAL A 5 ? 7.39902 9.18603 1.88888 1.000 13.77810 C ? A ? 5 CB 1
   ATOM 65 CG1 . VAL A 5 ? 7.67008 8.02160 0.96108 1.000 14.71738 C ? A ? 5 CG1 1
   ATOM 66 CG2 . VAL A 5 ? 6.68648 8.69407 3.15137 1.000 15.75344 C ? A ? 5 CG2 1
   ATOM 67 H . VAL A 5 ? 7.91204 11.62325 2.70786 1.000 18.39319 H ? A ? 5 H 1
   ATOM 68 HA . VAL A 5 ? 9.29419 9.26933 2.68502 1.000 15.27335 H ? A ? 5 HA 1
   ATOM 69 HB . VAL A 5 ? 6.81579 9.81715 1.43895 1.000 16.51064 H ? A ? 5 HB 1
   ATOM 70 HG11 . VAL A 5 ? 6.85909 7.49796 0.86624 1.000 17.63777 H ? A ? 5 HG11 1
   ATOM 71 HG12 . VAL A 5 ? 7.94559 8.36424 0.09644 1.000 17.63777 H ? A ? 5 HG12 1
   ATOM 72 HG13 . VAL A 5 ? 8.37525 7.47364 1.33972 1.000 17.63777 H ? A ? 5 HG13 1
   ATOM 73 HG21 . VAL A 5 ? 5.89430 8.19717 2.89359 1.000 18.88104 H ? A ? 5 HG21 1
   ATOM 74 HG22 . VAL A 5 ? 7.28871 8.12061 3.65074 1.000 18.88104 H ? A ? 5 HG22 1
   ATOM 75 HG23 . VAL A 5 ? 6.43547 9.45996 3.69110 1.000 18.88104 H ? A ? 5 HG23 1
   ATOM 76 N . VAL A 6 ? 10.68183 10.11214 0.83109 1.000 15.75550 N ? A ? 6 N 1
   ATOM 77 CA . VAL A 6 ? 11.46276 10.53826 -0.32437 1.000 15.46850 C ? A ? 6 CA 1
   ATOM 78 C . VAL A 6 ? 11.78065 9.31298 -1.16292 1.000 17.40606 C ? A ? 6 C 1
   ATOM 79 O . VAL A 6 ? 12.33794 8.33058 -0.66118 1.000 15.46079 O ? A ? 6 O 1
   ATOM 80 CB . VAL A 6 ? 12.74756 11.26964 0.09008 1.000 16.48914 C ? A ? 6 CB 1
   ATOM 81 CG1 . VAL A 6 ? 13.56342 11.63604 -1.14857 1.000 20.39139 C ? A ? 6 CG1 1
   ATOM 82 CG2 . VAL A 6 ? 12.40911 12.51607 0.88046 1.000 19.60217 C ? A ? 6 CG2 1
   ATOM 83 H . VAL A 6 ? 11.13012 9.63612 1.38970 1.000 18.88352 H ? A ? 6 H 1
   ATOM 84 HA . VAL A 6 ? 10.92984 11.14795 -0.85838 1.000 18.53912 H ? A ? 6 HA 1
   ATOM 85 HB . VAL A 6 ? 13.28050 10.68522 0.65162 1.000 19.76389 H ? A ? 6 HB 1
   ATOM 86 HG11 . VAL A 6 ? 14.17888 12.35052 -0.92135 1.000 24.44659 H ? A ? 6 HG11 1
   ATOM 87 HG12 . VAL A 6 ? 14.05750 10.85519 -1.44363 1.000 24.44659 H ? A ? 6 HG12 1
   ATOM 88 HG13 . VAL A 6 ? 12.95980 11.92961 -1.84883 1.000 24.44659 H ? A ? 6 HG13 1
   ATOM 89 HG21 . VAL A 6 ? 13.22705 13.00215 1.06916 1.000 23.49952 H ? A ? 6 HG21 1
   ATOM 90 HG22 . VAL A 6 ? 11.80906 13.06922 0.35620 1.000 23.49952 H ? A ? 6 HG22 1
   ATOM 91 HG23 . VAL A 6 ? 11.97948 12.25669 1.71054 1.000 23.49952 H ? A ? 6 HG23 1
   ATOM 92 N . THR A 7 ? 11.44787 9.37192 -2.43469 1.000 15.80038 N ? A ? 7 N 1
   ATOM 93 CA . THR A 7 ? 11.56855 8.19161 -3.27594 1.000 15.50153 C ? A ? 7 CA 1
   ATOM 94 C . THR A 7 ? 13.00976 7.94737 -3.69349 1.000 22.18707 C ? A ? 7 C 1
   ATOM 95 O . THR A 7 ? 13.74783 8.86779 -4.04562 1.000 24.88013 O ? A ? 7 O 1
   ATOM 96 CB . THR A 7 ? 10.65696 8.29229 -4.49644 1.000 21.05928 C ? A ? 7 CB 1
   ATOM 97 OG1 . THR A 7 ? 9.30503 8.38120 -4.05431 1.000 23.58293 O ? A ? 7 OG1 1
   ATOM 98 CG2 . THR A 7 ? 10.81797 7.06938 -5.39515 1.000 22.05310 C ? A ? 7 CG2 1
   ATOM 99 H . THR A 7 ? 11.15229 10.07350 -2.83472 1.000 18.93737 H ? A ? 7 H 1
   ATOM 100 HA . THR A 7 ? 11.28557 7.41771 -2.76418 1.000 18.57875 H ? A ? 7 HA 1
   ATOM 101 HB . THR A 7 ? 10.88854 9.07745 -5.01681 1.000 25.24806 H ? A ? 7 HB 1
   ATOM 102 HG1 . THR A 7 ? 8.78930 8.43188 -4.71541 1.000 28.27644 H ? A ? 7 HG1 1
   ATOM 103 HG21 . THR A 7 ? 10.09384 7.03358 -6.03954 1.000 26.44063 H ? A ? 7 HG21 1
   ATOM 104 HG22 . THR A 7 ? 11.66146 7.11669 -5.87178 1.000 26.44063 H ? A ? 7 HG22 1
   ATOM 105 HG23 . THR A 7 ? 10.80362 6.26035 -4.86021 1.000 26.44063 H ? A ? 7 HG23 1
   ATOM 106 N . LEU A 8 ? 13.41350 6.68716 -3.61863 1.000 17.36282 N ? A ? 8 N 1
   ATOM 107 CA . LEU A 8 ? 14.68126 6.20899 -4.14482 1.000 17.94496 C ? A ? 8 CA 1
   ATOM 108 C . LEU A 8 ? 14.49883 5.44030 -5.44250 1.000 23.52737 C ? A ? 8 C 1
   ATOM 109 O . LEU A 8 ? 15.41128 5.41715 -6.27280 1.000 26.94526 O ? A ? 8 O 1
   ATOM 110 CB . LEU A 8 ? 15.35615 5.29817 -3.10821 1.000 19.24277 C ? A ? 8 CB 1
   ATOM 111 CG . LEU A 8 ? 15.42306 5.87128 -1.68271 1.000 25.38917 C ? A ? 8 CG 1
   ATOM 112 CD1 . LEU A 8 ? 16.16880 4.93264 -0.73715 1.000 18.43139 C ? A ? 8 CD1 1
   ATOM 113 CD2 . LEU A 8 ? 16.05361 7.26256 -1.67543 1.000 25.81763 C ? A ? 8 CD2 1
   ATOM 114 H . LEU A 8 ? 12.95003 6.06273 -3.25138 1.000 20.81230 H ? A ? 8 H 1
   ATOM 115 HA . LEU A 8 ? 15.27657 6.95615 -4.31295 1.000 21.51087 H ? A ? 8 HA 1
   ATOM 116 HB2 . LEU A 8 ? 14.86105 4.46520 -3.06424 1.000 23.06824 H ? A ? 8 HB2 1
   ATOM 117 HB3 . LEU A 8 ? 16.26651 5.12817 -3.39675 1.000 23.06824 H ? A ? 8 HB3 1
   ATOM 118 HG . LEU A 8 ? 14.51519 5.95644 -1.35194 1.000 30.44392 H ? A ? 8 HG 1
   ATOM 119 HD11 . LEU A 8 ? 16.21164 5.33913 0.14252 1.000 22.09458 H ? A ? 8 HD11 1
   ATOM 120 HD12 . LEU A 8 ? 15.69240 4.08907 -0.68888 1.000 22.09458 H ? A ? 8 HD12 1
   ATOM 121 HD13 . LEU A 8 ? 17.06509 4.78729 -1.07837 1.000 22.09458 H ? A ? 8 HD13 1
   ATOM 122 HD21 . LEU A 8 ? 16.19831 7.53890 -0.75695 1.000 30.95807 H ? A ? 8 HD21 1
   ATOM 123 HD22 . LEU A 8 ? 16.90014 7.22810 -2.14776 1.000 30.95807 H ? A ? 8 HD22 1
   ATOM 124 HD23 . LEU A 8 ? 15.45346 7.88360 -2.11706 1.000 30.95807 H ? A ? 8 HD23 1
   ATOM 125 N . ALA A 9 ? 13.32666 4.84034 -5.63484 1.000 18.58246 N ? A ? 9 N 1
   ATOM 126 CA . ALA A 9 ? 12.99895 4.06333 -6.82351 1.000 20.59255 C ? A ? 9 CA 1
   ATOM 127 C . ALA A 9 ? 11.48218 4.02906 -6.92059 1.000 19.19405 C ? A ? 9 C 1
   ATOM 128 O . ALA A 9 ? 10.80978 3.73453 -5.93018 1.000 17.69058 O ? A ? 9 O 1
   ATOM 129 CB . ALA A 9 ? 13.55854 2.65092 -6.71591 1.000 20.68037 C ? A ? 9 CB 1
   ATOM 130 H . ALA A 9 ? 12.67988 4.87012 -5.06882 1.000 22.27587 H ? A ? 9 H 1
   ATOM 131 HA . ALA A 9 ? 13.36887 4.47240 -7.62146 1.000 24.68798 H ? A ? 9 HA 1
   ATOM 132 HB1 . ALA A 9 ? 13.33014 2.15864 -7.51990 1.000 24.79336 H ? A ? 9 HB1 1
   ATOM 133 HB2 . ALA A 9 ? 14.52261 2.69961 -6.62052 1.000 24.79336 H ? A ? 9 HB2 1
   ATOM 134 HB3 . ALA A 9 ? 13.17096 2.21591 -5.94038 1.000 24.79336 H ? A ? 9 HB3 1
   ATOM 135 N . ALA A 10 ? 10.93677 4.34465 -8.09028 1.000 21.85343 N ? A ? 10 N 1
   ATOM 136 CA . ALA A 10 ? 9.48787 4.39975 -8.21524 1.000 18.67912 C ? A ? 10 CA 1
   ATOM 137 C . ALA A 10 ? 8.87503 3.00820 -8.10092 1.000 19.66404 C ? A ? 10 C 1
   ATOM 138 O . ALA A 10 ? 9.48798 2.00802 -8.46074 1.000 20.17371 O ? A ? 10 O 1
   ATOM 139 CB . ALA A 10 ? 9.08603 5.02540 -9.55498 1.000 29.84677 C ? A ? 10 CB 1
   ATOM 140 H . ALA A 10 ? 11.37359 4.52655 -8.80840 1.000 26.20103 H ? A ? 10 H 1
   ATOM 141 HA . ALA A 10 ? 9.13260 4.94991 -7.49969 1.000 22.39186 H ? A ? 10 HA 1
   ATOM 142 HB1 . ALA A 10 ? 8.11820 5.06091 -9.60928 1.000 35.79304 H ? A ? 10 HB1 1
   ATOM 143 HB2 . ALA A 10 ? 9.45340 5.92158 -9.60784 1.000 35.79304 H ? A ? 10 HB2 1
   ATOM 144 HB3 . ALA A 10 ? 9.43802 4.48054 -10.27618 1.000 35.79304 H ? A ? 10 HB3 1
   ATOM 145 N . GLY A 11 ? 7.64640 2.96071 -7.59491 1.000 18.45781 N ? A ? 11 N 1
   ATOM 146 CA . GLY A 11 ? 6.83083 1.76951 -7.60010 1.000 19.23448 C ? A ? 11 CA 1
   ATOM 147 C . GLY A 11 ? 5.87883 1.76121 -8.77688 1.000 19.76901 C ? A ? 11 C 1
   ATOM 148 O . GLY A 11 ? 6.01514 2.54029 -9.72775 1.000 26.77088 O ? A ? 11 O 1
   ATOM 149 H . GLY A 11 ? 7.25612 3.63531 -7.23132 1.000 22.12629 H ? A ? 11 H 1
   ATOM 150 HA2 . GLY A 11 ? 7.39978 0.98585 -7.65547 1.000 23.05830 H ? A ? 11 HA2 1
   ATOM 151 HA3 . GLY A 11 ? 6.31267 1.72635 -6.78123 1.000 23.05830 H ? A ? 11 HA3 1
   ATOM 152 N . ASP A 12 ? 4.89393 0.87799 -8.71578 1.000 17.27289 N ? A ? 12 N 1
   ATOM 153 CA . ASP A 12 ? 3.93961 0.77620 -9.81934 1.000 18.38585 C ? A ? 12 CA 1
   ATOM 154 C . ASP A 12 ? 2.86880 1.85923 -9.77648 1.000 19.83585 C ? A ? 12 C 1
   ATOM 155 O . ASP A 12 ? 2.01983 1.91003 -10.67333 1.000 22.50691 O ? A ? 12 O 1
   ATOM 156 CB . ASP A 12 ? 3.31811 -0.61991 -9.88547 1.000 17.48665 C ? A ? 12 CB 1
   ATOM 157 CG . ASP A 12 ? 2.33292 -0.88362 -8.79278 1.000 19.74859 C ? A ? 12 CG 1
   ATOM 158 OD1 . ASP A 12 ? 2.10999 -0.00872 -7.92072 1.000 16.39723 O ? A ? 12 OD1 1
   ATOM 159 OD2 . ASP A 12 ? 1.75565 -1.99580 -8.77289 1.000 22.46000 O ? A ? 12 OD2 1
   ATOM 160 H . ASP A 12 ? 4.75640 0.33631 -8.06213 1.000 20.70439 H ? A ? 12 H 1
   ATOM 161 HA . ASP A 12 ? 4.42188 0.88771 -10.65353 1.000 22.03994 H ? A ? 12 HA 1
   ATOM 162 HB2 . ASP A 12 ? 2.85563 -0.71751 -10.73252 1.000 20.96090 H ? A ? 12 HB2 1
   ATOM 163 HB3 . ASP A 12 ? 4.02425 -1.28119 -9.81490 1.000 20.96090 H ? A ? 12 HB3 1
   ATOM 164 N B GLU A 13 ? 2.89631 2.72337 -8.76694 0.767 17.41917 N ? A ? 13 N 1
   ATOM 165 CA B GLU A 13 ? 1.96141 3.84417 -8.64460 0.767 19.05613 C ? A ? 13 CA 1
   ATOM 166 C B GLU A 13 ? 0.52232 3.40024 -8.85901 0.767 20.56518 C ? A ? 13 C 1
   ATOM 167 O B GLU A 13 ? -0.29899 4.11861 -9.43456 0.767 24.40972 O ? A ? 13 O 1
   ATOM 168 CB B GLU A 13 ? 2.36717 5.00762 -9.55263 0.767 22.88489 C ? A ? 13 CB 1
   ATOM 169 CG B GLU A 13 ? 3.74865 5.50685 -9.18101 0.767 24.14494 C ? A ? 13 CG 1
   ATOM 170 CD B GLU A 13 ? 4.11758 6.82299 -9.80452 0.767 26.09072 C ? A ? 13 CD 1
   ATOM 171 OE1 B GLU A 13 ? 3.65361 7.10609 -10.92855 0.767 22.87119 O ? A ? 13 OE1 1
   ATOM 172 OE2 B GLU A 13 ? 4.88534 7.56839 -9.16478 0.767 35.29116 O ? A ? 13 OE2 1
   ATOM 173 H B GLU A 13 ? 3.46195 2.68331 -8.12038 0.767 20.87992 H ? A ? 13 H 1
   ATOM 174 HA B GLU A 13 ? 2.00056 4.17873 -7.73496 0.767 22.84427 H ? A ? 13 HA 1
   ATOM 175 HB2 B GLU A 13 ? 2.38225 4.70973 -10.47564 0.767 27.43878 H ? A ? 13 HB2 1
   ATOM 176 HB3 B GLU A 13 ? 1.73525 5.73627 -9.44947 0.767 27.43878 H ? A ? 13 HB3 1
   ATOM 177 HG2 B GLU A 13 ? 3.79048 5.61619 -8.21810 0.767 28.95084 H ? A ? 13 HG2 1
   ATOM 178 HG3 B GLU A 13 ? 4.40331 4.85169 -9.46925 0.767 28.95084 H ? A ? 13 HG3 1
   ATOM 179 N C GLU A 13 ? 2.88973 2.72349 -8.76356 0.233 17.31050 N ? A ? 13 N 1
   ATOM 180 CA C GLU A 13 ? 1.95375 3.84525 -8.65508 0.233 18.77825 C ? A ? 13 CA 1
   ATOM 181 C C GLU A 13 ? 0.50523 3.40041 -8.81781 0.233 20.66937 C ? A ? 13 C 1
   ATOM 182 O C GLU A 13 ? -0.33461 4.13882 -9.33830 0.233 23.29731 O ? A ? 13 O 1
   ATOM 183 CB C GLU A 13 ? 2.30363 4.96912 -9.63332 0.233 22.52853 C ? A ? 13 CB 1
   ATOM 184 CG C GLU A 13 ? 3.57411 5.70533 -9.25801 0.233 22.70203 C ? A ? 13 CG 1
   ATOM 185 CD C GLU A 13 ? 3.82619 6.92001 -10.12161 0.233 26.71525 C ? A ? 13 CD 1
   ATOM 186 OE1 C GLU A 13 ? 3.24605 6.99804 -11.22392 0.233 26.90617 O ? A ? 13 OE1 1
   ATOM 187 OE2 C GLU A 13 ? 4.60215 7.79915 -9.69348 0.233 34.83201 O ? A ? 13 OE2 1
   ATOM 188 H C GLU A 13 ? 3.44844 2.68214 -8.11107 0.233 20.74952 H ? A ? 13 H 1
   ATOM 189 HA C GLU A 13 ? 2.03372 4.20768 -7.75889 0.233 22.51081 H ? A ? 13 HA 1
   ATOM 190 HB2 C GLU A 13 ? 2.42728 4.58983 -10.51748 0.233 27.01115 H ? A ? 13 HB2 1
   ATOM 191 HB3 C GLU A 13 ? 1.57760 5.61224 -9.64677 0.233 27.01115 H ? A ? 13 HB3 1
   ATOM 192 HG2 C GLU A 13 ? 3.50685 6.00160 -8.33682 0.233 27.21935 H ? A ? 13 HG2 1
   ATOM 193 HG3 C GLU A 13 ? 4.32875 5.10432 -9.35896 0.233 27.21935 H ? A ? 13 HG3 1
   ATOM 194 N B ALA A 14 ? 0.20704 2.20918 -8.35840 0.767 17.73721 N ? A ? 14 N 1
   ATOM 195 CA B ALA A 14 ? -1.13920 1.67486 -8.48431 0.767 16.97811 C ? A ? 14 CA 1
   ATOM 196 C B ALA A 14 ? -1.55236 0.88005 -7.25258 0.767 21.50909 C ? A ? 14 C 1
   ATOM 197 O B ALA A 14 ? -2.69012 0.99641 -6.79362 0.767 24.14805 O ? A ? 14 O 1
   ATOM 198 CB B ALA A 14 ? -1.24143 0.80357 -9.73840 0.767 19.84741 C ? A ? 14 CB 1
   ATOM 199 H B ALA A 14 ? 0.75580 1.69391 -7.94251 0.767 21.26157 H ? A ? 14 H 1
   ATOM 200 HA B ALA A 14 ? -1.75878 2.41659 -8.56712 0.767 20.35065 H ? A ? 14 HA 1
   ATOM 201 HB1 B ALA A 14 ? -2.14424 0.45584 -9.80861 0.767 23.79381 H ? A ? 14 HB1 1
   ATOM 202 HB2 B ALA A 14 ? -1.03382 1.34436 -10.51644 0.767 23.79381 H ? A ? 14 HB2 1
   ATOM 203 HB3 B ALA A 14 ? -0.60953 0.07117 -9.66646 0.767 23.79381 H ? A ? 14 HB3 1
   ATOM 204 N C ALA A 14 ? 0.19699 2.19326 -8.35301 0.233 17.50954 N ? A ? 14 N 1
   ATOM 205 CA C ALA A 14 ? -1.15876 1.67831 -8.46992 0.233 16.53837 C ? A ? 14 CA 1
   ATOM 206 C C ALA A 14 ? -1.55885 0.87936 -7.23826 0.233 21.35677 C ? A ? 14 C 1
   ATOM 207 O C ALA A 14 ? -2.69466 0.99113 -6.76820 0.233 24.25807 O ? A ? 14 O 1
   ATOM 208 CB C ALA A 14 ? -1.28882 0.81394 -9.72468 0.233 20.30712 C ? A ? 14 CB 1
   ATOM 209 H C ALA A 14 ? 0.75151 1.65934 -7.96956 0.233 20.98836 H ? A ? 14 H 1
   ATOM 210 HA C ALA A 14 ? -1.76979 2.42789 -8.54521 0.233 19.82296 H ? A ? 14 HA 1
   ATOM 211 HB1 C ALA A 14 ? -2.19848 0.48302 -9.78730 0.233 24.34546 H ? A ? 14 HB1 1
   ATOM 212 HB2 C ALA A 14 ? -1.07878 1.35342 -10.50297 0.233 24.34546 H ? A ? 14 HB2 1
   ATOM 213 HB3 C ALA A 14 ? -0.66979 0.06985 -9.66113 0.233 24.34546 H ? A ? 14 HB3 1
   ATOM 214 N . THR A 15 ? -0.64535 0.06842 -6.70583 1.000 18.52170 N ? A ? 15 N 1
   ATOM 215 CA . THR A 15 ? -0.94645 -0.79884 -5.56931 1.000 15.73819 C ? A ? 15 CA 1
   ATOM 216 C . THR A 15 ? -0.35129 -0.19465 -4.30288 1.000 15.07999 C ? A ? 15 C 1
   ATOM 217 O . THR A 15 ? 0.85366 -0.29837 -4.07312 1.000 16.41745 O ? A ? 15 O 1
   ATOM 218 CB . THR A 15 ? -0.41501 -2.21414 -5.80260 1.000 16.88082 C ? A ? 15 CB 1
   ATOM 219 OG1 . THR A 15 ? -0.82328 -2.64733 -7.10310 1.000 21.79234 O ? A ? 15 OG1 1
   ATOM 220 CG2 . THR A 15 ? -0.96728 -3.14842 -4.75540 1.000 19.46760 C ? A ? 15 CG2 1
   ATOM 221 HA . THR A 15 ? -1.90915 -0.84364 -5.45927 1.000 18.86275 H ? A ? 15 HA 1
   ATOM 222 HB . THR A 15 ? 0.55306 -2.23085 -5.74367 1.000 20.23390 H ? A ? 15 HB 1
   ATOM 223 HG1 . THR A 15 ? -0.41864 -2.20678 -7.69283 1.000 26.12773 H ? A ? 15 HG1 1
   ATOM 224 HG21 . THR A 15 ? -0.67843 -4.05670 -4.93561 1.000 23.33803 H ? A ? 15 HG21 1
   ATOM 225 HG22 . THR A 15 ? -0.65107 -2.88601 -3.87673 1.000 23.33803 H ? A ? 15 HG22 1
   ATOM 226 HG23 . THR A 15 ? -1.93681 -3.11909 -4.76276 1.000 23.33803 H ? A ? 15 HG23 1
   ATOM 227 H B THR A 15 ? 0.16629 0.00263 -6.98245 0.767 22.20295 H ? A ? 15 H 1
   ATOM 228 H C THR A 15 ? 0.16395 0.00298 -6.98929 0.233 22.20295 H ? A ? 15 H 1
   ATOM 229 N . TYR A 16 ? -1.21354 0.38330 -3.46308 1.000 16.28128 N ? A ? 16 N 1
   ATOM 230 CA . TYR A 16 ? -0.84916 1.02179 -2.20921 1.000 14.12888 C ? A ? 16 CA 1
   ATOM 231 C . TYR A 16 ? -1.47062 0.25957 -1.05015 1.000 18.51805 C ? A ? 16 C 1
   ATOM 232 O . TYR A 16 ? -2.64320 -0.12571 -1.13164 1.000 24.99317 O ? A ? 16 O 1
   ATOM 233 CB . TYR A 16 ? -1.39034 2.47136 -2.18283 1.000 17.45129 C ? A ? 16 CB 1
   ATOM 234 CG . TYR A 16 ? -0.75736 3.38164 -3.20783 1.000 16.49282 C ? A ? 16 CG 1
   ATOM 235 CD1 . TYR A 16 ? -1.19522 3.38484 -4.52066 1.000 19.63894 C ? A ? 16 CD1 1
   ATOM 236 CD2 . TYR A 16 ? 0.28652 4.22565 -2.86442 1.000 15.83683 C ? A ? 16 CD2 1
   ATOM 237 CE1 . TYR A 16 ? -0.61568 4.20428 -5.45198 1.000 18.62790 C ? A ? 16 CE1 1
   ATOM 238 CE2 . TYR A 16 ? 0.87534 5.05007 -3.78372 1.000 18.03851 C ? A ? 16 CE2 1
   ATOM 239 CZ . TYR A 16 ? 0.42027 5.03169 -5.09166 1.000 16.51897 C ? A ? 16 CZ 1
   ATOM 240 OH . TYR A 16 ? 1.00446 5.84863 -6.02940 1.000 22.83719 O ? A ? 16 OH 1
   ATOM 241 H . TYR A 16 ? -2.06013 0.41745 -3.61047 1.000 19.51445 H ? A ? 16 H 1
   ATOM 242 HA . TYR A 16 ? 0.11510 1.03484 -2.10467 1.000 16.93158 H ? A ? 16 HA 1
   ATOM 243 HB2 . TYR A 16 ? -2.34450 2.45026 -2.35608 1.000 20.91846 H ? A ? 16 HB2 1
   ATOM 244 HB3 . TYR A 16 ? -1.22060 2.85074 -1.30638 1.000 20.91846 H ? A ? 16 HB3 1
   ATOM 245 HD1 . TYR A 16 ? -1.89201 2.82321 -4.77354 1.000 23.54364 H ? A ? 16 HD1 1
   ATOM 246 HD2 . TYR A 16 ? 0.59459 4.23184 -1.98695 1.000 18.98111 H ? A ? 16 HD2 1
   ATOM 247 HE1 . TYR A 16 ? -0.92365 4.20080 -6.32950 1.000 22.33040 H ? A ? 16 HE1 1
   ATOM 248 HE2 . TYR A 16 ? 1.57098 5.61456 -3.53407 1.000 21.62313 H ? A ? 16 HE2 1
   ATOM 249 HH . TYR A 16 ? 1.83996 5.83225 -5.94414 1.000 27.38154 H ? A ? 16 HH 1
   ATOM 250 N . PRO A 17 ? -0.73616 0.02282 0.03698 1.000 15.60010 N ? A ? 17 N 1
   ATOM 251 CA . PRO A 17 ? -1.34748 -0.70041 1.16270 1.000 14.62171 C ? A ? 17 CA 1
   ATOM 252 C . PRO A 17 ? -2.29489 0.21745 1.92029 1.000 23.84638 C ? A ? 17 C 1
   ATOM 253 O . PRO A 17 ? -1.89900 1.28756 2.38525 1.000 23.70442 O ? A ? 17 O 1
   ATOM 254 CB . PRO A 17 ? -0.14946 -1.12577 2.02251 1.000 18.62676 C ? A ? 17 CB 1
   ATOM 255 CG . PRO A 17 ? 0.93186 -0.17095 1.67245 1.000 14.95616 C ? A ? 17 CG 1
   ATOM 256 CD . PRO A 17 ? 0.64024 0.45871 0.33544 1.000 16.30119 C ? A ? 17 CD 1
   ATOM 257 HA . PRO A 17 ? -1.81996 -1.49025 0.85640 1.000 17.52297 H ? A ? 17 HA 1
   ATOM 258 HB2 . PRO A 17 ? -0.37846 -1.06153 2.96290 1.000 22.32902 H ? A ? 17 HB2 1
   ATOM 259 HB3 . PRO A 17 ? 0.10680 -2.03564 1.80486 1.000 22.32902 H ? A ? 17 HB3 1
   ATOM 260 HG2 . PRO A 17 ? 0.97506 0.51493 2.35699 1.000 17.92431 H ? A ? 17 HG2 1
   ATOM 261 HG3 . PRO A 17 ? 1.77237 -0.65351 1.63281 1.000 17.92431 H ? A ? 17 HG3 1
   ATOM 262 HD2 . PRO A 17 ? 0.68966 1.42575 0.39288 1.000 19.53834 H ? A ? 17 HD2 1
   ATOM 263 HD3 . PRO A 17 ? 1.25732 0.13446 -0.33907 1.000 19.53834 H ? A ? 17 HD3 1
   ATOM 264 N . LYS A 18 ? -3.54712 -0.18817 2.02475 1.000 20.86079 N ? A ? 18 N 1
   ATOM 265 CA . LYS A 18 ? -4.55955 0.62438 2.67946 1.000 22.67125 C ? A ? 18 CA 1
   ATOM 266 C . LYS A 18 ? -4.69924 0.19811 4.13208 1.000 19.11651 C ? A ? 18 C 1
   ATOM 267 O . LYS A 18 ? -4.19171 -0.84147 4.55410 1.000 18.34248 O ? A ? 18 O 1
   ATOM 268 CB . LYS A 18 ? -5.90195 0.48683 1.95877 1.000 22.41468 C ? A ? 18 CB 1
   ATOM 269 CG . LYS A 18 ? -5.82498 0.69682 0.46846 1.000 28.23656 C ? A ? 18 CG 1
   ATOM 270 CD . LYS A 18 ? -6.47302 -0.48308 -0.24110 1.000 53.39273 C ? A ? 18 CD 1
   ATOM 271 CE . LYS A 18 ? -6.56793 -0.23280 -1.70818 1.000 55.21371 C ? A ? 18 CE 1
   ATOM 272 NZ . LYS A 18 ? -7.86046 -0.74915 -2.10561 1.000 35.92633 N ? A ? 18 NZ 1
   ATOM 273 H . LYS A 18 ? -3.83964 -0.93794 1.72164 1.000 25.00987 H ? A ? 18 H 1
   ATOM 274 HA . LYS A 18 ? -4.29510 1.55719 2.65054 1.000 27.18242 H ? A ? 18 HA 1
   ATOM 275 HB2 . LYS A 18 ? -6.24697 -0.40652 2.11299 1.000 26.87454 H ? A ? 18 HB2 1
   ATOM 276 HB3 . LYS A 18 ? -6.51607 1.14622 2.31788 1.000 26.87454 H ? A ? 18 HB3 1
   ATOM 277 HG2 . LYS A 18 ? -6.29822 1.50783 0.22514 1.000 33.86079 H ? A ? 18 HG2 1
   ATOM 278 HG3 . LYS A 18 ? -4.89728 0.75838 0.19190 1.000 33.86079 H ? A ? 18 HG3 1
   ATOM 279 HD2 . LYS A 18 ? -5.93841 -1.27986 -0.09889 1.000 64.04819 H ? A ? 18 HD2 1
   ATOM 280 HD3 . LYS A 18 ? -7.36848 -0.61797 0.10655 1.000 64.04819 H ? A ? 18 HD3 1
   ATOM 281 HE2 . LYS A 18 ? -6.51946 0.71709 -1.89864 1.000 66.23337 H ? A ? 18 HE2 1
   ATOM 282 HE3 . LYS A 18 ? -5.86477 -0.70271 -2.18321 1.000 66.23337 H ? A ? 18 HE3 1
   ATOM 283 HZ1 . LYS A 18 ? -7.96573 -0.66205 -2.98506 1.000 43.08851 H ? A ? 18 HZ1 1
   ATOM 284 HZ2 . LYS A 18 ? -7.92315 -1.61064 -1.89113 1.000 43.08851 H ? A ? 18 HZ2 1
   ATOM 285 HZ3 . LYS A 18 ? -8.50795 -0.30051 -1.69138 1.000 43.08851 H ? A ? 18 HZ3 1
   ATOM 286 N . ALA A 19 ? -5.38618 1.03249 4.90882 1.000 22.99864 N ? A ? 19 N 1
   ATOM 287 CA . ALA A 19 ? -5.70854 0.67526 6.28074 1.000 22.33822 C ? A ? 19 CA 1
   ATOM 288 C . ALA A 19 ? -6.27192 -0.74236 6.34426 1.000 22.77152 C ? A ? 19 C 1
   ATOM 289 O . ALA A 19 ? -7.15716 -1.11619 5.57308 1.000 22.53764 O ? A ? 19 O 1
   ATOM 290 CB . ALA A 19 ? -6.72218 1.68000 6.83790 1.000 28.35138 C ? A ? 19 CB 1
   ATOM 291 H . ALA A 19 ? -5.67376 1.80522 4.66433 1.000 27.57528 H ? A ? 19 H 1
   ATOM 292 HA . ALA A 19 ? -4.90879 0.70653 6.82876 1.000 26.78278 H ? A ? 19 HA 1
   ATOM 293 HB1 . ALA A 19 ? -7.18306 1.27885 7.59127 1.000 33.99857 H ? A ? 19 HB1 1
   ATOM 294 HB2 . ALA A 19 ? -6.25095 2.47773 7.12506 1.000 33.99857 H ? A ? 19 HB2 1
   ATOM 295 HB3 . ALA A 19 ? -7.35934 1.90473 6.14188 1.000 33.99857 H ? A ? 19 HB3 1
   ATOM 296 N . GLY A 20 ? -5.72842 -1.54173 7.25074 1.000 16.02296 N ? A ? 20 N 1
   ATOM 297 CA . GLY A 20 ? -6.17158 -2.90145 7.47864 1.000 16.80030 C ? A ? 20 CA 1
   ATOM 298 C . GLY A 20 ? -5.58656 -3.94464 6.54867 1.000 14.57782 C ? A ? 20 C 1
   ATOM 299 O . GLY A 20 ? -5.93713 -5.12538 6.67545 1.000 17.98348 O ? A ? 20 O 1
   ATOM 300 H . GLY A 20 ? -5.07835 -1.30872 7.76330 1.000 19.20447 H ? A ? 20 H 1
   ATOM 301 HA2 . GLY A 20 ? -5.93739 -3.15346 8.38558 1.000 20.13728 H ? A ? 20 HA2 1
   ATOM 302 HA3 . GLY A 20 ? -7.13629 -2.93095 7.38179 1.000 20.13728 H ? A ? 20 HA3 1
   ATOM 303 N . GLN A 21 ? -4.72806 -3.55444 5.61424 1.000 16.28568 N ? A ? 21 N 1
   ATOM 304 CA . GLN A 21 ? -4.07485 -4.49355 4.71858 1.000 17.93904 C ? A ? 21 CA 1
   ATOM 305 C . GLN A 21 ? -2.66034 -4.75310 5.20558 1.000 17.90603 C ? A ? 21 C 1
   ATOM 306 O . GLN A 21 ? -2.05430 -3.91619 5.87645 1.000 16.67116 O ? A ? 21 O 1
   ATOM 307 CB . GLN A 21 ? -4.03919 -3.96176 3.29633 1.000 18.56271 C ? A ? 21 CB 1
   ATOM 308 CG . GLN A 21 ? -5.42362 -3.79490 2.70974 1.000 19.25373 C ? A ? 21 CG 1
   ATOM 309 CD . GLN A 21 ? -5.40945 -3.31715 1.28431 1.000 27.50989 C ? A ? 21 CD 1
   ATOM 310 OE1 . GLN A 21 ? -4.44223 -2.71024 0.82934 1.000 23.21377 O ? A ? 21 OE1 1
   ATOM 311 NE2 . GLN A 21 ? -6.50569 -3.55477 0.57558 1.000 51.15892 N ? A ? 21 NE2 1
   ATOM 312 H . GLN A 21 ? -4.50509 -2.73495 5.47884 1.000 19.51973 H ? A ? 21 H 1
   ATOM 313 HA . GLN A 21 ? -4.56488 -5.33060 4.70754 1.000 21.50377 H ? A ? 21 HA 1
   ATOM 314 HB2 . GLN A 21 ? -3.60299 -3.09539 3.29243 1.000 22.25217 H ? A ? 21 HB2 1
   ATOM 315 HB3 . GLN A 21 ? -3.54719 -4.58344 2.73744 1.000 22.25217 H ? A ? 21 HB3 1
   ATOM 316 HG2 . GLN A 21 ? -5.88001 -4.65052 2.73277 1.000 23.08139 H ? A ? 21 HG2 1
   ATOM 317 HG3 . GLN A 21 ? -5.91224 -3.14395 3.23739 1.000 23.08139 H ? A ? 21 HG3 1
   ATOM 318 HE21 . GLN A 21 ? -7.17176 -3.96126 0.93711 1.000 61.36762 H ? A ? 21 HE21 1
   ATOM 319 HE22 . GLN A 21 ? -6.55014 -3.30229 -0.24532 1.000 61.36762 H ? A ? 21 HE22 1
   ATOM 320 N A VAL A 22 ? -2.12964 -5.91688 4.85246 0.414 13.38192 N ? A ? 22 N 1
   ATOM 321 CA A VAL A 22 ? -0.77188 -6.28925 5.23142 0.414 11.77549 C ? A ? 22 CA 1
   ATOM 322 C A VAL A 22 ? 0.19145 -5.74280 4.19062 0.414 12.21433 C ? A ? 22 C 1
   ATOM 323 O A VAL A 22 ? -0.03610 -5.86835 2.98390 0.414 14.06546 O ? A ? 22 O 1
   ATOM 324 CB A VAL A 22 ? -0.63320 -7.81448 5.35969 0.414 14.12953 C ? A ? 22 CB 1
   ATOM 325 CG1 A VAL A 22 ? 0.75971 -8.17946 5.87301 0.414 16.32283 C ? A ? 22 CG1 1
   ATOM 326 CG2 A VAL A 22 ? -1.71673 -8.35166 6.27571 0.414 11.29510 C ? A ? 22 CG2 1
   ATOM 327 H A VAL A 22 ? -2.53955 -6.51401 4.38877 0.414 16.03522 H ? A ? 22 H 1
   ATOM 328 HA A VAL A 22 ? -0.55906 -5.88991 6.08941 0.414 14.10751 H ? A ? 22 HA 1
   ATOM 329 HB A VAL A 22 ? -0.74122 -8.22807 4.48896 0.414 16.93235 H ? A ? 22 HB 1
   ATOM 330 HG11 A VAL A 22 ? 0.77103 -9.11875 6.11492 0.414 19.56432 H ? A ? 22 HG11 1
   ATOM 331 HG12 A VAL A 22 ? 1.40880 -8.01052 5.17226 0.414 19.56432 H ? A ? 22 HG12 1
   ATOM 332 HG13 A VAL A 22 ? 0.96255 -7.63532 6.64996 0.414 19.56432 H ? A ? 22 HG13 1
   ATOM 333 HG21 A VAL A 22 ? -1.57591 -9.30224 6.40788 0.414 13.53103 H ? A ? 22 HG21 1
   ATOM 334 HG22 A VAL A 22 ? -1.66894 -7.88871 7.12677 0.414 13.53103 H ? A ? 22 HG22 1
   ATOM 335 HG23 A VAL A 22 ? -2.58198 -8.19947 5.86452 0.414 13.53103 H ? A ? 22 HG23 1
   ATOM 336 N B VAL A 22 ? -2.12965 -5.91792 4.84332 0.586 13.36952 N ? A ? 22 N 1
   ATOM 337 CA B VAL A 22 ? -0.77403 -6.30567 5.21084 0.586 11.98576 C ? A ? 22 CA 1
   ATOM 338 C B VAL A 22 ? 0.18694 -5.73682 4.18021 0.586 12.12509 C ? A ? 22 C 1
   ATOM 339 O B VAL A 22 ? -0.05269 -5.82921 2.97145 0.586 14.28915 O ? A ? 22 O 1
   ATOM 340 CB B VAL A 22 ? -0.65423 -7.83514 5.28619 0.586 13.10215 C ? A ? 22 CB 1
   ATOM 341 CG1 B VAL A 22 ? 0.78239 -8.29010 5.08612 0.586 15.20527 C ? A ? 22 CG1 1
   ATOM 342 CG2 B VAL A 22 ? -1.19101 -8.32474 6.63346 0.586 14.18887 C ? A ? 22 CG2 1
   ATOM 343 H B VAL A 22 ? -2.54333 -6.50984 4.37631 0.586 16.02034 H ? A ? 22 H 1
   ATOM 344 HA B VAL A 22 ? -0.55105 -5.93331 6.07833 0.586 14.35983 H ? A ? 22 HA 1
   ATOM 345 HB B VAL A 22 ? -1.18110 -8.22674 4.57208 0.586 15.69950 H ? A ? 22 HB 1
   ATOM 346 HG11 B VAL A 22 ? 0.86975 -9.20537 5.39521 0.586 18.22324 H ? A ? 22 HG11 1
   ATOM 347 HG12 B VAL A 22 ? 1.00194 -8.23716 4.14277 0.586 18.22324 H ? A ? 22 HG12 1
   ATOM 348 HG13 B VAL A 22 ? 1.37082 -7.71130 5.59567 0.586 18.22324 H ? A ? 22 HG13 1
   ATOM 349 HG21 B VAL A 22 ? -1.10347 -9.28983 6.67641 0.586 17.00356 H ? A ? 22 HG21 1
   ATOM 350 HG22 B VAL A 22 ? -0.67716 -7.91395 7.34627 0.586 17.00356 H ? A ? 22 HG22 1
   ATOM 351 HG23 B VAL A 22 ? -2.12464 -8.07349 6.71158 0.586 17.00356 H ? A ? 22 HG23 1
   ATOM 352 N . ALA A 23 ? 1.24838 -5.09947 4.66039 1.000 12.65835 N ? A ? 23 N 1
   ATOM 353 CA . ALA A 23 ? 2.35307 -4.67150 3.83075 1.000 9.25741 C ? A ? 23 CA 1
   ATOM 354 C . ALA A 23 ? 3.53345 -5.57159 4.15520 1.000 13.33357 C ? A ? 23 C 1
   ATOM 355 O . ALA A 23 ? 3.79761 -5.86528 5.32683 1.000 11.20955 O ? A ? 23 O 1
   ATOM 356 CB . ALA A 23 ? 2.74708 -3.22363 4.16026 1.000 10.13471 C ? A ? 23 CB 1
   ATOM 357 HA . ALA A 23 ? 2.12149 -4.72574 2.89036 1.000 11.08581 H ? A ? 23 HA 1
   ATOM 358 HB1 . ALA A 23 ? 3.50852 -2.97161 3.61475 1.000 12.13856 H ? A ? 23 HB1 1
   ATOM 359 HB2 . ALA A 23 ? 1.99579 -2.64060 3.96912 1.000 12.13856 H ? A ? 23 HB2 1
   ATOM 360 HB3 . ALA A 23 ? 2.97990 -3.16581 5.10013 1.000 12.13856 H ? A ? 23 HB3 1
   ATOM 361 H A ALA A 23 ? 1.34893 -4.89314 5.48919 0.414 15.16694 H ? A ? 23 H 1
   ATOM 362 H B ALA A 23 ? 1.34905 -4.90006 5.49087 0.586 15.16694 H ? A ? 23 H 1
   ATOM 363 N . VAL A 24 ? 4.22985 -6.01061 3.11645 1.000 10.67691 N ? A ? 24 N 1
   ATOM 364 CA . VAL A 24 ? 5.45301 -6.78886 3.25239 1.000 7.85720 C ? A ? 24 CA 1
   ATOM 365 C . VAL A 24 ? 6.60397 -5.93952 2.75733 1.000 8.42530 C ? A ? 24 C 1
   ATOM 366 O . VAL A 24 ? 6.56473 -5.47203 1.61903 1.000 9.41597 O ? A ? 24 O 1
   ATOM 367 CB . VAL A 24 ? 5.39500 -8.08827 2.43686 1.000 10.26609 C ? A ? 24 CB 1
   ATOM 368 CG1 . VAL A 24 ? 6.64665 -8.92600 2.70449 1.000 12.34129 C ? A ? 24 CG1 1
   ATOM 369 CG2 . VAL A 24 ? 4.12425 -8.88176 2.72799 1.000 12.43834 C ? A ? 24 CG2 1
   ATOM 370 H . VAL A 24 ? 4.00717 -5.86604 2.29845 1.000 12.78921 H ? A ? 24 H 1
   ATOM 371 HA . VAL A 24 ? 5.58236 -7.00086 4.19006 1.000 9.40556 H ? A ? 24 HA 1
   ATOM 372 HB . VAL A 24 ? 5.37027 -7.86271 1.49377 1.000 12.29623 H ? A ? 24 HB 1
   ATOM 373 HG11 . VAL A 24 ? 6.57062 -9.76812 2.22915 1.000 14.78646 H ? A ? 24 HG11 1
   ATOM 374 HG12 . VAL A 24 ? 7.42529 -8.43905 2.39225 1.000 14.78646 H ? A ? 24 HG12 1
   ATOM 375 HG13 . VAL A 24 ? 6.71923 -9.08966 3.65782 1.000 14.78646 H ? A ? 24 HG13 1
   ATOM 376 HG21 . VAL A 24 ? 4.33340 -9.82886 2.71502 1.000 14.90293 H ? A ? 24 HG21 1
   ATOM 377 HG22 . VAL A 24 ? 3.78756 -8.62930 3.60195 1.000 14.90293 H ? A ? 24 HG22 1
   ATOM 378 HG23 . VAL A 24 ? 3.46295 -8.67970 2.04773 1.000 14.90293 H ? A ? 24 HG23 1
   ATOM 379 N . VAL A 25 ? 7.61887 -5.73515 3.58991 1.000 7.83037 N ? A ? 25 N 1
   ATOM 380 CA . VAL A 25 ? 8.68357 -4.79541 3.27073 1.000 7.77840 C ? A ? 25 CA 1
   ATOM 381 C . VAL A 25 ? 10.05524 -5.35544 3.61837 1.000 8.04267 C ? A ? 25 C 1
   ATOM 382 O . VAL A 25 ? 10.19673 -6.26997 4.43996 1.000 10.34860 O ? A ? 25 O 1
   ATOM 383 CB . VAL A 25 ? 8.49997 -3.45146 4.02636 1.000 8.71826 C ? A ? 25 CB 1
   ATOM 384 CG1 . VAL A 25 ? 7.14935 -2.78198 3.71640 1.000 7.85444 C ? A ? 25 CG1 1
   ATOM 385 CG2 . VAL A 25 ? 8.68827 -3.66273 5.52723 1.000 9.63983 C ? A ? 25 CG2 1
   ATOM 386 H . VAL A 25 ? 7.71170 -6.13103 4.34772 1.000 9.37336 H ? A ? 25 H 1
   ATOM 387 HA . VAL A 25 ? 8.66492 -4.66102 2.31026 1.000 9.31100 H ? A ? 25 HA 1
   ATOM 388 HB . VAL A 25 ? 9.18096 -2.83531 3.71410 1.000 10.43882 H ? A ? 25 HB 1
   ATOM 389 HG11 . VAL A 25 ? 7.11458 -1.92044 4.16074 1.000 9.40224 H ? A ? 25 HG11 1
   ATOM 390 HG12 . VAL A 25 ? 7.06868 -2.66290 2.75712 1.000 9.40224 H ? A ? 25 HG12 1
   ATOM 391 HG13 . VAL A 25 ? 6.43334 -3.35047 4.04052 1.000 9.40224 H ? A ? 25 HG13 1
   ATOM 392 HG21 . VAL A 25 ? 8.37780 -2.87385 5.99859 1.000 11.54471 H ? A ? 25 HG21 1
   ATOM 393 HG22 . VAL A 25 ? 8.17409 -4.43724 5.80408 1.000 11.54471 H ? A ? 25 HG22 1
   ATOM 394 HG23 . VAL A 25 ? 9.62973 -3.80815 5.71001 1.000 11.54471 H ? A ? 25 HG23 1
   ATOM 395 N . HIS A 26 ? 11.07987 -4.79932 2.98881 1.000 7.93321 N ? A ? 26 N 1
   ATOM 396 CA . HIS A 26 ? 12.42498 -4.82764 3.53536 1.000 8.56897 C ? A ? 26 CA 1
   ATOM 397 C . HIS A 26 ? 12.77295 -3.43306 4.02882 1.000 7.61964 C ? A ? 26 C 1
   ATOM 398 O . HIS A 26 ? 12.30316 -2.43645 3.47208 1.000 8.46229 O ? A ? 26 O 1
   ATOM 399 CB . HIS A 26 ? 13.44963 -5.27198 2.49670 1.000 8.62722 C ? A ? 26 CB 1
   ATOM 400 CG . HIS A 26 ? 13.81314 -6.71321 2.59369 1.000 9.58268 C ? A ? 26 CG 1
   ATOM 401 ND1 . HIS A 26 ? 14.29063 -7.27444 3.75948 1.000 8.92664 N ? A ? 26 ND1 1
   ATOM 402 CD2 . HIS A 26 ? 13.80218 -7.68662 1.65324 1.000 12.63389 C ? A ? 26 CD2 1
   ATOM 403 CE1 . HIS A 26 ? 14.53989 -8.55370 3.52264 1.000 9.68204 C ? A ? 26 CE1 1
   ATOM 404 NE2 . HIS A 26 ? 14.26275 -8.81895 2.25977 1.000 11.49993 N ? A ? 26 NE2 1
   ATOM 405 H . HIS A 26 ? 11.01847 -4.39419 2.23270 1.000 9.49676 H ? A ? 26 H 1
   ATOM 406 HA . HIS A 26 ? 12.46973 -5.45753 4.27166 1.000 10.25969 H ? A ? 26 HA 1
   ATOM 407 HB2 . HIS A 26 ? 13.08418 -5.11737 1.61158 1.000 10.32958 H ? A ? 26 HB2 1
   ATOM 408 HB3 . HIS A 26 ? 14.26043 -4.75310 2.61614 1.000 10.32958 H ? A ? 26 HB3 1
   ATOM 409 HD2 . HIS A 26 ? 13.53337 -7.60058 0.76711 1.000 15.13758 H ? A ? 26 HD2 1
   ATOM 410 HE1 . HIS A 26 ? 14.85873 -9.16611 4.14569 1.000 11.59537 H ? A ? 26 HE1 1
   ATOM 411 HE2 . HIS A 26 ? 14.35745 -9.58437 1.87930 1.000 13.77683 H ? A ? 26 HE2 1
   ATOM 412 N . TYR A 27 ? 13.59786 -3.36444 5.07449 1.000 8.60491 N ? A ? 27 N 1
   ATOM 413 CA . TYR A 27 ? 13.91678 -2.06903 5.65369 1.000 8.92567 C ? A ? 27 CA 1
   ATOM 414 C . TYR A 27 ? 15.27998 -2.08375 6.32564 1.000 9.18274 C ? A ? 27 C 1
   ATOM 415 O . TYR A 27 ? 15.75759 -3.12084 6.78514 1.000 9.73739 O ? A ? 27 O 1
   ATOM 416 CB . TYR A 27 ? 12.86303 -1.60548 6.66391 1.000 10.67612 C ? A ? 27 CB 1
   ATOM 417 CG . TYR A 27 ? 12.84881 -2.39281 7.96517 1.000 9.67449 C ? A ? 27 CG 1
   ATOM 418 CD1 . TYR A 27 ? 12.12550 -3.55928 8.08456 1.000 9.28020 C ? A ? 27 CD1 1
   ATOM 419 CD2 . TYR A 27 ? 13.54991 -1.95683 9.08298 1.000 10.53870 C ? A ? 27 CD2 1
   ATOM 420 CE1 . TYR A 27 ? 12.09476 -4.28804 9.26276 1.000 11.69984 C ? A ? 27 CE1 1
   ATOM 421 CE2 . TYR A 27 ? 13.52958 -2.68631 10.27008 1.000 10.75751 C ? A ? 27 CE2 1
   ATOM 422 CZ . TYR A 27 ? 12.79199 -3.83889 10.34307 1.000 12.82946 C ? A ? 27 CZ 1
   ATOM 423 OH . TYR A 27 ? 12.72730 -4.59403 11.50034 1.000 13.97799 O ? A ? 27 OH 1
   ATOM 424 H . TYR A 27 ? 13.97365 -4.03874 5.45356 1.000 10.30281 H ? A ? 27 H 1
   ATOM 425 HA . TYR A 27 ? 13.95641 -1.43833 4.91780 1.000 10.68772 H ? A ? 27 HA 1
   ATOM 426 HB2 . TYR A 27 ? 13.03439 -0.67673 6.88516 1.000 12.78826 H ? A ? 27 HB2 1
   ATOM 427 HB3 . TYR A 27 ? 11.98625 -1.69361 6.25845 1.000 12.78826 H ? A ? 27 HB3 1
   ATOM 428 HD1 . TYR A 27 ? 11.64287 -3.86717 7.35164 1.000 11.11316 H ? A ? 27 HD1 1
   ATOM 429 HD2 . TYR A 27 ? 14.03941 -1.16735 9.03818 1.000 12.62336 H ? A ? 27 HD2 1
   ATOM 430 HE1 . TYR A 27 ? 11.60309 -5.07570 9.31528 1.000 14.01672 H ? A ? 27 HE1 1
   ATOM 431 HE2 . TYR A 27 ? 14.01348 -2.39283 11.00806 1.000 12.88593 H ? A ? 27 HE2 1
   ATOM 432 HH . TYR A 27 ? 12.43497 -4.12540 12.13322 1.000 16.75050 H ? A ? 27 HH 1
   ATOM 433 N . THR A 28 ? 15.87500 -0.89553 6.42097 1.000 10.68728 N ? A ? 28 N 1
   ATOM 434 CA . THR A 28 ? 17.04525 -0.65378 7.25168 1.000 12.20428 C ? A ? 28 CA 1
   ATOM 435 C . THR A 28 ? 16.81809 0.67171 7.96136 1.000 12.51803 C ? A ? 28 C 1
   ATOM 436 O . THR A 28 ? 16.55202 1.67705 7.31388 1.000 12.71488 O ? A ? 28 O 1
   ATOM 437 CB . THR A 28 ? 18.29730 -0.54857 6.38908 1.000 11.84477 C ? A ? 28 CB 1
   ATOM 438 OG1 . THR A 28 ? 18.51950 -1.79710 5.73456 1.000 14.64345 O ? A ? 28 OG1 1
   ATOM 439 CG2 . THR A 28 ? 19.51136 -0.20793 7.24413 1.000 16.41135 C ? A ? 28 CG2 1
   ATOM 440 H . THR A 28 ? 15.60886 -0.19446 5.99993 1.000 12.80165 H ? A ? 28 H 1
   ATOM 441 HA . THR A 28 ? 17.16698 -1.36631 7.89852 1.000 14.62205 H ? A ? 28 HA 1
   ATOM 442 HB . THR A 28 ? 18.18247 0.15428 5.73051 1.000 14.19064 H ? A ? 28 HB 1
   ATOM 443 HG1 . THR A 28 ? 19.31750 -2.03793 5.83846 1.000 17.54906 H ? A ? 28 HG1 1
   ATOM 444 HG21 . THR A 28 ? 20.32425 -0.32663 6.72835 1.000 19.67054 H ? A ? 28 HG21 1
   ATOM 445 HG22 . THR A 28 ? 19.45930 0.71374 7.54199 1.000 19.67054 H ? A ? 28 HG22 1
   ATOM 446 HG23 . THR A 28 ? 19.54366 -0.78835 8.02064 1.000 19.67054 H ? A ? 28 HG23 1
   ATOM 447 N . GLY A 29 ? 16.92597 0.66704 9.28347 1.000 12.51708 N ? A ? 29 N 1
   ATOM 448 CA . GLY A 29 ? 16.69764 1.86733 10.08082 1.000 12.42089 C ? A ? 29 CA 1
   ATOM 449 C . GLY A 29 ? 17.99425 2.39101 10.65970 1.000 11.27840 C ? A ? 29 C 1
   ATOM 450 O . GLY A 29 ? 18.77152 1.63488 11.24312 1.000 14.24656 O ? A ? 29 O 1
   ATOM 451 H . GLY A 29 ? 17.13263 -0.02667 9.74786 1.000 14.99741 H ? A ? 29 H 1
   ATOM 452 HA2 . GLY A 29 ? 16.30377 2.55831 9.52556 1.000 14.88199 H ? A ? 29 HA2 1
   ATOM 453 HA3 . GLY A 29 ? 16.09123 1.66448 10.81022 1.000 14.88199 H ? A ? 29 HA3 1
   ATOM 454 N . THR A 30 ? 18.20338 3.69515 10.51538 1.000 12.24049 N ? A ? 30 N 1
   ATOM 455 CA . THR A 30 ? 19.37905 4.33586 11.07767 1.000 17.58494 C ? A ? 30 CA 1
   ATOM 456 C . THR A 30 ? 19.00575 5.53423 11.94255 1.000 20.62790 C ? A ? 30 C 1
   ATOM 457 O . THR A 30 ? 17.97455 6.18216 11.74428 1.000 18.68184 O ? A ? 30 O 1
   ATOM 458 CB . THR A 30 ? 20.33983 4.84898 9.99970 1.000 21.91419 C ? A ? 30 CB 1
   ATOM 459 OG1 . THR A 30 ? 19.61543 5.61758 9.03885 1.000 18.72989 O ? A ? 30 OG1 1
   ATOM 460 CG2 . THR A 30 ? 21.06567 3.70104 9.31952 1.000 18.71027 C ? A ? 30 CG2 1
   ATOM 461 H . THR A 30 ? 17.67568 4.22810 10.09456 1.000 14.66551 H ? A ? 30 H 1
   ATOM 462 HA . THR A 30 ? 19.81850 3.66895 11.62814 1.000 21.07884 H ? A ? 30 HA 1
   ATOM 463 HB . THR A 30 ? 21.01423 5.41194 10.41099 1.000 26.27395 H ? A ? 30 HB 1
   ATOM 464 HG1 . THR A 30 ? 19.22382 6.25654 9.41827 1.000 22.45279 H ? A ? 30 HG1 1
   ATOM 465 HG21 . THR A 30 ? 21.50938 4.01796 8.51729 1.000 22.42924 H ? A ? 30 HG21 1
   ATOM 466 HG22 . THR A 30 ? 21.72956 3.32642 9.91935 1.000 22.42924 H ? A ? 30 HG22 1
   ATOM 467 HG23 . THR A 30 ? 20.43365 3.00658 9.07624 1.000 22.42924 H ? A ? 30 HG23 1
   ATOM 468 N . LEU A 31 ? 19.90022 5.85537 12.87460 1.000 20.43187 N ? A ? 31 N 1
   ATOM 469 CA . LEU A 31 ? 19.82255 7.08016 13.65624 1.000 25.39284 C ? A ? 31 CA 1
   ATOM 470 C . LEU A 31 ? 20.48199 8.22277 12.89065 1.000 34.75355 C ? A ? 31 C 1
   ATOM 471 O . LEU A 31 ? 21.06711 8.03655 11.82135 1.000 24.94220 O ? A ? 31 O 1
   ATOM 472 CB . LEU A 31 ? 20.50146 6.87598 15.01133 1.000 20.10941 C ? A ? 31 CB 1
   ATOM 473 CG . LEU A 31 ? 20.03878 5.67830 15.82158 1.000 20.88398 C ? A ? 31 CG 1
   ATOM 474 CD1 . LEU A 31 ? 20.81586 5.56603 17.13226 1.000 28.06693 C ? A ? 31 CD1 1
   ATOM 475 CD2 . LEU A 31 ? 18.53674 5.76332 16.09471 1.000 22.45249 C ? A ? 31 CD2 1
   ATOM 476 H . LEU A 31 ? 20.57816 5.36633 13.07666 1.000 24.49516 H ? A ? 31 H 1
   ATOM 477 HA . LEU A 31 ? 18.89517 7.31534 13.81611 1.000 30.44833 H ? A ? 31 HA 1
   ATOM 478 HB2 . LEU A 31 ? 21.45309 6.76719 14.85816 1.000 24.10821 H ? A ? 31 HB2 1
   ATOM 479 HB3 . LEU A 31 ? 20.34044 7.66574 15.55100 1.000 24.10821 H ? A ? 31 HB3 1
   ATOM 480 HG . LEU A 31 ? 20.21013 4.87358 15.30780 1.000 25.03770 H ? A ? 31 HG 1
   ATOM 481 HD11 . LEU A 31 ? 20.47545 4.81124 17.63756 1.000 33.65723 H ? A ? 31 HD11 1
   ATOM 482 HD12 . LEU A 31 ? 21.75558 5.43314 16.93187 1.000 33.65723 H ? A ? 31 HD12 1
   ATOM 483 HD13 . LEU A 31 ? 20.69840 6.38407 17.64011 1.000 33.65723 H ? A ? 31 HD13 1
   ATOM 484 HD21 . LEU A 31 ? 18.28919 5.06351 16.71913 1.000 26.91991 H ? A ? 31 HD21 1
   ATOM 485 HD22 . LEU A 31 ? 18.33350 6.63248 16.47440 1.000 26.91991 H ? A ? 31 HD22 1
   ATOM 486 HD23 . LEU A 31 ? 18.05684 5.64665 15.25986 1.000 26.91991 H ? A ? 31 HD23 1
   ATOM 487 N . ALA A 32 ? 20.37531 9.43103 13.44699 1.000 26.32287 N ? A ? 32 N 1
   ATOM 488 CA . ALA A 32 ? 20.91254 10.60066 12.76455 1.000 26.02851 C ? A ? 32 CA 1
   ATOM 489 C . ALA A 32 ? 22.42432 10.52268 12.58588 1.000 19.17107 C ? A ? 32 C 1
   ATOM 490 O . ALA A 32 ? 22.95958 11.15401 11.66899 1.000 35.83083 O ? A ? 32 O 1
   ATOM 491 CB . ALA A 32 ? 20.53444 11.87628 13.51482 1.000 32.79592 C ? A ? 32 CB 1
   ATOM 492 H . ALA A 32 ? 20.00287 9.59447 14.20473 1.000 31.56436 H ? A ? 32 H 1
   ATOM 493 HA . ALA A 32 ? 20.51303 10.65138 11.88211 1.000 31.21113 H ? A ? 32 HA 1
   ATOM 494 HB1 . ALA A 32 ? 20.91343 12.63942 13.05126 1.000 39.33202 H ? A ? 32 HB1 1
   ATOM 495 HB2 . ALA A 32 ? 19.56778 11.95216 13.54158 1.000 39.33202 H ? A ? 32 HB2 1
   ATOM 496 HB3 . ALA A 32 ? 20.88758 11.82848 14.41699 1.000 39.33202 H ? A ? 32 HB3 1
   ATOM 497 N . ASP A 33 ? 23.11742 9.75611 13.42220 1.000 27.73772 N ? A ? 33 N 1
   ATOM 498 CA . ASP A 33 ? 24.55692 9.58061 13.31783 1.000 37.36290 C ? A ? 33 CA 1
   ATOM 499 C . ASP A 33 ? 24.93493 8.36927 12.47679 1.000 44.19425 C ? A ? 33 C 1
   ATOM 500 O . ASP A 33 ? 26.09407 7.98671 12.45902 1.000 40.84053 O ? A ? 33 O 1
   ATOM 501 CB . ASP A 33 ? 25.17148 9.45724 14.71623 1.000 32.13233 C ? A ? 33 CB 1
   ATOM 502 CG . ASP A 33 ? 24.79472 8.16725 15.40982 1.000 41.84126 C ? A ? 33 CG 1
   ATOM 503 OD1 . ASP A 33 ? 23.93698 7.42670 14.88473 1.000 33.23352 O ? A ? 33 OD1 1
   ATOM 504 OD2 . ASP A 33 ? 25.36356 7.87863 16.48676 1.000 38.77115 O ? A ? 33 OD2 1
   ATOM 505 H . ASP A 33 ? 22.76526 9.31796 14.07305 1.000 33.26218 H ? A ? 33 H 1
   ATOM 506 HA . ASP A 33 ? 24.93738 10.36641 12.89513 1.000 44.81239 H ? A ? 33 HA 1
   ATOM 507 HB2 . ASP A 33 ? 26.13808 9.48555 14.64022 1.000 38.53571 H ? A ? 33 HB2 1
   ATOM 508 HB3 . ASP A 33 ? 24.86007 10.19441 15.26441 1.000 38.53571 H ? A ? 33 HB3 1
   ATOM 509 N . GLY A 34 ? 23.98157 7.73794 11.80187 1.000 38.35429 N ? A ? 34 N 1
   ATOM 510 CA . GLY A 34 ? 24.27858 6.63727 10.90660 1.000 36.46860 C ? A ? 34 CA 1
   ATOM 511 C . GLY A 34 ? 24.20104 5.25748 11.52042 1.000 34.90956 C ? A ? 34 C 1
   ATOM 512 O . GLY A 34 ? 24.23459 4.26096 10.78365 1.000 21.79214 O ? A ? 34 O 1
   ATOM 513 H . GLY A 34 ? 23.14553 7.93398 11.84886 1.000 46.00207 H ? A ? 34 H 1
   ATOM 514 HA2 . GLY A 34 ? 23.65151 6.66433 10.16703 1.000 43.73924 H ? A ? 34 HA2 1
   ATOM 515 HA3 . GLY A 34 ? 25.17791 6.75450 10.56256 1.000 43.73924 H ? A ? 34 HA3 1
   ATOM 516 N . LYS A 35 ? 24.10904 5.16555 12.83947 1.000 18.84662 N ? A ? 35 N 1
   ATOM 517 CA . LYS A 35 ? 24.05188 3.87933 13.50845 1.000 21.78316 C ? A ? 35 CA 1
   ATOM 518 C . LYS A 35 ? 22.82524 3.11096 13.04391 1.000 25.14195 C ? A ? 35 C 1
   ATOM 519 O . LYS A 35 ? 21.70401 3.62530 13.06910 1.000 20.57386 O ? A ? 35 O 1
   ATOM 520 CB . LYS A 35 ? 23.99187 4.09132 15.02232 1.000 23.44346 C ? A ? 35 CB 1
   ATOM 521 CG . LYS A 35 ? 23.56564 2.87940 15.82135 1.000 35.48907 C ? A ? 35 CG 1
   ATOM 522 CD . LYS A 35 ? 24.66622 1.83455 15.93635 1.000 30.88251 C ? A ? 35 CD 1
   ATOM 523 CE . LYS A 35 ? 24.20185 0.63364 16.75687 1.000 47.48381 C ? A ? 35 CE 1
   ATOM 524 NZ . LYS A 35 ? 24.75009 0.63330 18.14414 1.000 43.67623 N ? A ? 35 NZ 1
   ATOM 525 H . LYS A 35 ? 24.07783 5.83919 13.37317 1.000 22.59286 H ? A ? 35 H 1
   ATOM 526 HA . LYS A 35 ? 24.84449 3.36110 13.29843 1.000 26.11671 H ? A ? 35 HA 1
   ATOM 527 HB2 . LYS A 35 ? 24.87475 4.34775 15.33160 1.000 28.10907 H ? A ? 35 HB2 1
   ATOM 528 HB3 . LYS A 35 ? 23.35641 4.80027 15.20803 1.000 28.10907 H ? A ? 35 HB3 1
   ATOM 529 HG2 . LYS A 35 ? 23.32404 3.16014 16.71785 1.000 42.56380 H ? A ? 35 HG2 1
   ATOM 530 HG3 . LYS A 35 ? 22.80366 2.46549 15.38666 1.000 42.56380 H ? A ? 35 HG3 1
   ATOM 531 HD2 . LYS A 35 ? 24.91042 1.52426 15.05036 1.000 37.03593 H ? A ? 35 HD2 1
   ATOM 532 HD3 . LYS A 35 ? 25.43780 2.22558 16.37528 1.000 37.03593 H ? A ? 35 HD3 1
   ATOM 533 HE2 . LYS A 35 ? 23.23385 0.64767 16.81754 1.000 56.95748 H ? A ? 35 HE2 1
   ATOM 534 HE3 . LYS A 35 ? 24.49504 -0.18069 16.31892 1.000 56.95748 H ? A ? 35 HE3 1
   ATOM 535 HZ1 . LYS A 35 ? 24.45744 -0.08111 18.58692 1.000 52.38839 H ? A ? 35 HZ1 1
   ATOM 536 HZ2 . LYS A 35 ? 25.63955 0.61376 18.11993 1.000 52.38839 H ? A ? 35 HZ2 1
   ATOM 537 HZ3 . LYS A 35 ? 24.48892 1.36705 18.57483 1.000 52.38839 H ? A ? 35 HZ3 1
   ATOM 538 N . VAL A 36 ? 23.04106 1.86531 12.64768 1.000 23.17306 N ? A ? 36 N 1
   ATOM 539 CA . VAL A 36 ? 21.95174 0.97670 12.25878 1.000 18.24458 C ? A ? 36 CA 1
   ATOM 540 C . VAL A 36 ? 21.40654 0.30582 13.51372 1.000 28.80026 C ? A ? 36 C 1
   ATOM 541 O . VAL A 36 ? 22.13511 -0.39922 14.22062 1.000 23.25283 O ? A ? 36 O 1
   ATOM 542 CB . VAL A 36 ? 22.44979 -0.06289 11.24494 1.000 18.48071 C ? A ? 36 CB 1
   ATOM 543 CG1 . VAL A 36 ? 21.32415 -0.99591 10.82965 1.000 17.66941 C ? A ? 36 CG1 1
   ATOM 544 CG2 . VAL A 36 ? 23.06748 0.62808 10.04241 1.000 18.85310 C ? A ? 36 CG2 1
   ATOM 545 H . VAL A 36 ? 23.81958 1.50391 12.59389 1.000 27.78459 H ? A ? 36 H 1
   ATOM 546 HA . VAL A 36 ? 21.23466 1.48894 11.85343 1.000 21.87042 H ? A ? 36 HA 1
   ATOM 547 HB . VAL A 36 ? 23.13658 -0.60683 11.66130 1.000 22.15377 H ? A ? 36 HB 1
   ATOM 548 HG11 . VAL A 36 ? 21.63013 -1.55352 10.09729 1.000 21.18021 H ? A ? 36 HG11 1
   ATOM 549 HG12 . VAL A 36 ? 21.07773 -1.55003 11.58671 1.000 21.18021 H ? A ? 36 HG12 1
   ATOM 550 HG13 . VAL A 36 ? 20.56294 -0.46578 10.54609 1.000 21.18021 H ? A ? 36 HG13 1
   ATOM 551 HG21 . VAL A 36 ? 23.28447 -0.03861 9.37207 1.000 22.60063 H ? A ? 36 HG21 1
   ATOM 552 HG22 . VAL A 36 ? 22.43021 1.26436 9.68196 1.000 22.60063 H ? A ? 36 HG22 1
   ATOM 553 HG23 . VAL A 36 ? 23.87323 1.08966 10.32280 1.000 22.60063 H ? A ? 36 HG23 1
   ATOM 554 N . PHE A 37 ? 20.11688 0.51724 13.79335 1.000 19.29773 N ? A ? 37 N 1
   ATOM 555 CA . PHE A 37 ? 19.46860 -0.09487 14.94990 1.000 19.05140 C ? A ? 37 CA 1
   ATOM 556 C . PHE A 37 ? 18.63305 -1.32246 14.60112 1.000 16.99140 C ? A ? 37 C 1
   ATOM 557 O . PHE A 37 ? 18.29232 -2.09971 15.49835 1.000 19.60981 O ? A ? 37 O 1
   ATOM 558 CB . PHE A 37 ? 18.60394 0.92675 15.72477 1.000 18.18015 C ? A ? 37 CB 1
   ATOM 559 CG . PHE A 37 ? 17.51325 1.57656 14.90295 1.000 17.56543 C ? A ? 37 CG 1
   ATOM 560 CD1 . PHE A 37 ? 16.27288 0.97097 14.76783 1.000 15.08988 C ? A ? 37 CD1 1
   ATOM 561 CD2 . PHE A 37 ? 17.72805 2.78211 14.27672 1.000 15.24985 C ? A ? 37 CD2 1
   ATOM 562 CE1 . PHE A 37 ? 15.27852 1.57324 14.00197 1.000 16.38324 C ? A ? 37 CE1 1
   ATOM 563 CE2 . PHE A 37 ? 16.73660 3.38686 13.51326 1.000 16.44621 C ? A ? 37 CE2 1
   ATOM 564 CZ . PHE A 37 ? 15.51254 2.76922 13.38176 1.000 16.46221 C ? A ? 37 CZ 1
   ATOM 565 H . PHE A 37 ? 19.59549 1.01460 13.32390 1.000 23.13419 H ? A ? 37 H 1
   ATOM 566 HA . PHE A 37 ? 20.16361 -0.38156 15.56282 1.000 22.83860 H ? A ? 37 HA 1
   ATOM 567 HB2 . PHE A 37 ? 18.17854 0.47087 16.46781 1.000 21.79309 H ? A ? 37 HB2 1
   ATOM 568 HB3 . PHE A 37 ? 19.18144 1.63254 16.05532 1.000 21.79309 H ? A ? 37 HB3 1
   ATOM 569 HD1 . PHE A 37 ? 16.10483 0.15970 15.19033 1.000 18.08477 H ? A ? 37 HD1 1
   ATOM 570 HD2 . PHE A 37 ? 18.55350 3.20112 14.36597 1.000 18.27674 H ? A ? 37 HD2 1
   ATOM 571 HE1 . PHE A 37 ? 14.45037 1.15983 13.91165 1.000 19.63680 H ? A ? 37 HE1 1
   ATOM 572 HE2 . PHE A 37 ? 16.89826 4.20152 13.09480 1.000 19.71237 H ? A ? 37 HE2 1
   ATOM 573 HZ . PHE A 37 ? 14.84454 3.16599 12.87063 1.000 19.73157 H ? A ? 37 HZ 1
   ATOM 574 N . ASP A 38 ? 18.31243 -1.54019 13.32271 1.000 15.19140 N ? A ? 38 N 1
   ATOM 575 CA . ASP A 38 ? 17.47327 -2.65605 12.90503 1.000 15.20926 C ? A ? 38 CA 1
   ATOM 576 C . ASP A 38 ? 17.52542 -2.73056 11.39187 1.000 14.13411 C ? A ? 38 C 1
   ATOM 577 O . ASP A 38 ? 17.62314 -1.69757 10.73276 1.000 15.45192 O ? A ? 38 O 1
   ATOM 578 CB . ASP A 38 ? 16.02925 -2.43501 13.37204 1.000 13.52063 C ? A ? 38 CB 1
   ATOM 579 CG . ASP A 38 ? 15.17504 -3.65686 13.24980 1.000 17.39185 C ? A ? 38 CG 1
   ATOM 580 OD1 . ASP A 38 ? 15.69473 -4.76256 12.98050 1.000 17.18798 O ? A ? 38 OD1 1
   ATOM 581 OD2 . ASP A 38 ? 13.93397 -3.50195 13.42428 1.000 16.11409 O ? A ? 38 OD2 1
   ATOM 582 H . ASP A 38 ? 18.57502 -1.04504 12.67043 1.000 18.20659 H ? A ? 38 H 1
   ATOM 583 HA . ASP A 38 ? 17.80061 -3.49245 13.27132 1.000 18.22803 H ? A ? 38 HA 1
   ATOM 584 HB2 . ASP A 38 ? 16.03795 -2.16991 14.30507 1.000 16.20167 H ? A ? 38 HB2 1
   ATOM 585 HB3 . ASP A 38 ? 15.62805 -1.73601 12.83227 1.000 16.20167 H ? A ? 38 HB3 1
   ATOM 586 N . SER A 39 ? 17.48861 -3.94722 10.86501 1.000 15.59235 N ? A ? 39 N 1
   ATOM 587 CA . SER A 39 ? 17.43358 -4.12569 9.41743 1.000 13.48380 C ? A ? 39 CA 1
   ATOM 588 C . SER A 39 ? 16.91429 -5.51110 9.10669 1.000 15.32147 C ? A ? 39 C 1
   ATOM 589 O . SER A 39 ? 17.50325 -6.50939 9.53878 1.000 18.95744 O ? A ? 39 O 1
   ATOM 590 CB . SER A 39 ? 18.81169 -3.92393 8.78478 1.000 18.23198 C ? A ? 39 CB 1
   ATOM 591 OG . SER A 39 ? 18.77312 -4.25919 7.38838 1.000 17.03022 O ? A ? 39 OG 1
   ATOM 592 H . SER A 39 ? 17.49435 -4.67844 11.31765 1.000 18.68774 H ? A ? 39 H 1
   ATOM 593 HA . SER A 39 ? 16.81678 -3.47464 9.04786 1.000 16.15747 H ? A ? 39 HA 1
   ATOM 594 HB2 . SER A 39 ? 19.07296 -2.99480 8.88154 1.000 21.85529 H ? A ? 39 HB2 1
   ATOM 595 HB3 . SER A 39 ? 19.45374 -4.49739 9.23179 1.000 21.85529 H ? A ? 39 HB3 1
   ATOM 596 HG . SER A 39 ? 18.40055 -3.64341 6.95525 1.000 20.41318 H ? A ? 39 HG 1
   ATOM 597 N . SER A 40 ? 15.81230 -5.58970 8.36207 1.000 14.49668 N ? A ? 40 N 1
   ATOM 598 CA . SER A 40 ? 15.39898 -6.88070 7.84253 1.000 13.25595 C ? A ? 40 CA 1
   ATOM 599 C . SER A 40 ? 16.32474 -7.36154 6.74143 1.000 13.03007 C ? A ? 40 C 1
   ATOM 600 O . SER A 40 ? 16.35812 -8.56133 6.46676 1.000 16.36403 O ? A ? 40 O 1
   ATOM 601 CB . SER A 40 ? 13.96707 -6.83341 7.31746 1.000 11.42427 C ? A ? 40 CB 1
   ATOM 602 OG . SER A 40 ? 13.88067 -5.97061 6.17756 1.000 11.44056 O ? A ? 40 OG 1
   ATOM 603 H . SER A 40 ? 15.30480 -4.92792 8.15209 1.000 17.37293 H ? A ? 40 H 1
   ATOM 604 HA . SER A 40 ? 15.41531 -7.51959 8.57223 1.000 15.88405 H ? A ? 40 HA 1
   ATOM 605 HB2 . SER A 40 ? 13.69372 -7.72778 7.05999 1.000 13.68604 H ? A ? 40 HB2 1
   ATOM 606 HB3 . SER A 40 ? 13.38400 -6.49636 8.01554 1.000 13.68604 H ? A ? 40 HB3 1
   ATOM 607 HG . SER A 40 ? 14.64831 -5.82320 5.86998 1.000 13.70558 H ? A ? 40 HG 1
   ATOM 608 N . ARG A 41 ? 17.05872 -6.46120 6.09262 1.000 14.35852 N ? A ? 41 N 1
   ATOM 609 CA . ARG A 41 ? 17.97057 -6.89813 5.03968 1.000 17.98149 C ? A ? 41 CA 1
   ATOM 610 C . ARG A 41 ? 19.14469 -7.66988 5.62910 1.000 20.90566 C ? A ? 41 C 1
   ATOM 611 O . ARG A 41 ? 19.53975 -8.71416 5.09370 1.000 19.67924 O ? A ? 41 O 1
   ATOM 612 CB . ARG A 41 ? 18.44877 -5.69951 4.22429 1.000 15.33204 C ? A ? 41 CB 1
   ATOM 613 CG . ARG A 41 ? 17.32997 -4.96919 3.47424 1.000 14.80328 C ? A ? 41 CG 1
   ATOM 614 CD . ARG A 41 ? 17.94860 -3.89804 2.59065 1.000 15.88115 C ? A ? 41 CD 1
   ATOM 615 NE . ARG A 41 ? 16.97225 -3.17869 1.78237 1.000 17.12995 N ? A ? 41 NE 1
   ATOM 616 CZ . ARG A 41 ? 16.36673 -2.06253 2.16276 1.000 15.51184 C ? A ? 41 CZ 1
   ATOM 617 NH1 . ARG A 41 ? 16.60087 -1.52369 3.34425 1.000 14.93136 N ? A ? 41 NH1 1
   ATOM 618 NH2 . ARG A 41 ? 15.50929 -1.46710 1.32928 1.000 13.14959 N ? A ? 41 NH2 1
   ATOM 619 H . ARG A 41 ? 17.04840 -5.61369 6.23829 1.000 17.20714 H ? A ? 41 H 1
   ATOM 620 HA . ARG A 41 ? 17.49863 -7.48895 4.43213 1.000 21.55470 H ? A ? 41 HA 1
   ATOM 621 HB2 . ARG A 41 ? 18.86655 -5.06215 4.82440 1.000 18.37537 H ? A ? 41 HB2 1
   ATOM 622 HB3 . ARG A 41 ? 19.09233 -6.00751 3.56712 1.000 18.37537 H ? A ? 41 HB3 1
   ATOM 623 HG2 . ARG A 41 ? 16.84135 -5.59497 2.91697 1.000 17.74085 H ? A ? 41 HG2 1
   ATOM 624 HG3 . ARG A 41 ? 16.72735 -4.54768 4.10676 1.000 17.74085 H ? A ? 41 HG3 1
   ATOM 625 HD2 . ARG A 41 ? 18.40278 -3.25124 3.15302 1.000 19.03430 H ? A ? 41 HD2 1
   ATOM 626 HD3 . ARG A 41 ? 18.58271 -4.31652 1.98759 1.000 19.03430 H ? A ? 41 HD3 1
   ATOM 627 HE . ARG A 41 ? 16.77631 -3.49902 1.00868 1.000 20.53286 H ? A ? 41 HE 1
   ATOM 628 HH11 . ARG A 41 ? 17.15579 -1.89711 3.88481 1.000 17.89455 H ? A ? 41 HH11 1
   ATOM 629 HH12 . ARG A 41 ? 16.19854 -0.79907 3.57373 1.000 17.89455 H ? A ? 41 HH12 1
   ATOM 630 HH21 . ARG A 41 ? 15.35508 -1.80825 0.55505 1.000 15.75642 H ? A ? 41 HH21 1
   ATOM 631 HH22 . ARG A 41 ? 15.11148 -0.74262 1.56693 1.000 15.75642 H ? A ? 41 HH22 1
   ATOM 632 N . THR A 42 ? 19.70649 -7.18441 6.73843 1.000 19.80041 N ? A ? 42 N 1
   ATOM 633 CA . THR A 42 ? 20.75506 -7.93314 7.42441 1.000 23.24623 C ? A ? 42 CA 1
   ATOM 634 C . THR A 42 ? 20.24127 -9.30673 7.84148 1.000 26.43217 C ? A ? 42 C 1
   ATOM 635 O . THR A 42 ? 20.91071 -10.32384 7.62867 1.000 26.47655 O ? A ? 42 O 1
   ATOM 636 CB . THR A 42 ? 21.24919 -7.13370 8.62899 1.000 19.95527 C ? A ? 42 CB 1
   ATOM 637 OG1 . THR A 42 ? 21.62293 -5.81399 8.20699 1.000 20.29551 O ? A ? 42 OG1 1
   ATOM 638 CG2 . THR A 42 ? 22.45807 -7.82513 9.26589 1.000 24.42643 C ? A ? 42 CG2 1
   ATOM 639 H . THR A 42 ? 19.50070 -6.43540 7.10753 1.000 23.73741 H ? A ? 42 H 1
   ATOM 640 HA . THR A 42 ? 21.50911 -8.06504 6.82866 1.000 27.87239 H ? A ? 42 HA 1
   ATOM 641 HB . THR A 42 ? 20.54449 -7.07284 9.29277 1.000 23.92324 H ? A ? 42 HB 1
   ATOM 642 HG1 . THR A 42 ? 22.16056 -5.47769 8.75786 1.000 24.33152 H ? A ? 42 HG1 1
   ATOM 643 HG21 . THR A 42 ? 22.82161 -7.27151 9.97458 1.000 29.28863 H ? A ? 42 HG21 1
   ATOM 644 HG22 . THR A 42 ? 22.19263 -8.68019 9.63914 1.000 29.28863 H ? A ? 42 HG22 1
   ATOM 645 HG23 . THR A 42 ? 23.14566 -7.97307 8.59787 1.000 29.28863 H ? A ? 42 HG23 1
   ATOM 646 N A ARG A 43 ? 19.02574 -9.36424 8.38718 0.327 17.53251 N ? A ? 43 N 1
   ATOM 647 CA A ARG A 43 ? 18.41475 -10.64935 8.69886 0.327 25.85981 C ? A ? 43 CA 1
   ATOM 648 C A ARG A 43 ? 18.11413 -11.46266 7.44754 0.327 18.53767 C ? A ? 43 C 1
   ATOM 649 O A ARG A 43 ? 17.88811 -12.67478 7.54443 0.327 15.08836 O ? A ? 43 O 1
   ATOM 650 CB A ARG A 43 ? 17.08307 -10.42648 9.40752 0.327 28.41843 C ? A ? 43 CB 1
   ATOM 651 CG A ARG A 43 ? 17.08646 -10.56353 10.90866 0.327 33.46880 C ? A ? 43 CG 1
   ATOM 652 CD A ARG A 43 ? 15.72766 -10.13911 11.45839 0.327 28.45177 C ? A ? 43 CD 1
   ATOM 653 NE A ARG A 43 ? 15.44518 -8.74107 11.15212 0.327 15.61175 N ? A ? 43 NE 1
   ATOM 654 CZ A ARG A 43 ? 14.23397 -8.20287 11.13485 0.327 23.66716 C ? A ? 43 CZ 1
   ATOM 655 NH1 A ARG A 43 ? 13.15173 -8.92642 11.36285 0.327 32.78329 N ? A ? 43 NH1 1
   ATOM 656 NH2 A ARG A 43 ? 14.10499 -6.90547 10.87671 0.327 15.40127 N ? A ? 43 NH2 1
   ATOM 657 H A ARG A 43 ? 18.54190 -8.68087 8.58339 0.327 21.01593 H ? A ? 43 H 1
   ATOM 658 HA A ARG A 43 ? 19.02654 -11.13808 9.27136 0.327 31.00869 H ? A ? 43 HA 1
   ATOM 659 HB2 A ARG A 43 ? 16.78154 -9.52701 9.20517 0.327 34.07903 H ? A ? 43 HB2 1
   ATOM 660 HB3 A ARG A 43 ? 16.44779 -11.07436 9.06465 0.327 34.07903 H ? A ? 43 HB3 1
   ATOM 661 HG2 A ARG A 43 ? 17.24985 -11.48746 11.15474 0.327 40.13947 H ? A ? 43 HG2 1
   ATOM 662 HG3 A ARG A 43 ? 17.77155 -9.99249 11.29005 0.327 40.13947 H ? A ? 43 HG3 1
   ATOM 663 HD2 A ARG A 43 ? 15.03358 -10.68614 11.05851 0.327 34.11904 H ? A ? 43 HD2 1
   ATOM 664 HD3 A ARG A 43 ? 15.72206 -10.24828 12.42222 0.327 34.11904 H ? A ? 43 HD3 1
   ATOM 665 HE A ARG A 43 ? 16.11206 -8.22959 10.96977 0.327 18.71101 H ? A ? 43 HE 1
   ATOM 666 HH11 A ARG A 43 ? 13.22357 -9.76747 11.52741 0.327 39.31687 H ? A ? 43 HH11 1
   ATOM 667 HH12 A ARG A 43 ? 12.37567 -8.55619 11.34665 0.327 39.31687 H ? A ? 43 HH12 1
   ATOM 668 HH21 A ARG A 43 ? 14.80237 -6.42610 10.72354 0.327 18.45845 H ? A ? 43 HH21 1
   ATOM 669 HH22 A ARG A 43 ? 13.32414 -6.54535 10.86286 0.327 18.45845 H ? A ? 43 HH22 1
   ATOM 670 N B ARG A 43 ? 19.05487 -9.35142 8.45019 0.673 18.29533 N ? A ? 43 N 1
   ATOM 671 CA B ARG A 43 ? 18.46602 -10.62726 8.82975 0.673 25.32859 C ? A ? 43 CA 1
   ATOM 672 C B ARG A 43 ? 18.22775 -11.51225 7.61790 0.673 17.67192 C ? A ? 43 C 1
   ATOM 673 O B ARG A 43 ? 18.26492 -12.74055 7.72575 0.673 26.01935 O ? A ? 43 O 1
   ATOM 674 CB B ARG A 43 ? 17.10434 -10.40442 9.48394 0.673 29.43358 C ? A ? 43 CB 1
   ATOM 675 CG B ARG A 43 ? 17.08980 -9.90649 10.90548 0.673 31.98013 C ? A ? 43 CG 1
   ATOM 676 CD B ARG A 43 ? 15.73761 -10.24281 11.52984 0.673 29.53791 C ? A ? 43 CD 1
   ATOM 677 NE B ARG A 43 ? 14.64615 -9.43819 10.98934 0.673 19.35529 N ? A ? 43 NE 1
   ATOM 678 CZ B ARG A 43 ? 14.46652 -8.15603 11.27772 0.673 20.76991 C ? A ? 43 CZ 1
   ATOM 679 NH1 B ARG A 43 ? 15.33458 -7.48700 12.02139 0.673 14.71676 N ? A ? 43 NH1 1
   ATOM 680 NH2 B ARG A 43 ? 13.39032 -7.52690 10.80629 0.673 12.04378 N ? A ? 43 NH2 1
   ATOM 681 H B ARG A 43 ? 18.57855 -8.66411 8.65101 0.673 21.93131 H ? A ? 43 H 1
   ATOM 682 HA B ARG A 43 ? 19.07424 -11.05725 9.45111 0.673 30.37123 H ? A ? 43 HA 1
   ATOM 683 HB2 B ARG A 43 ? 16.62290 -9.75068 8.95315 0.673 35.29722 H ? A ? 43 HB2 1
   ATOM 684 HB3 B ARG A 43 ? 16.62988 -11.25045 9.47857 0.673 35.29722 H ? A ? 43 HB3 1
   ATOM 685 HG2 B ARG A 43 ? 17.79081 -10.34080 11.41623 0.673 38.35308 H ? A ? 43 HG2 1
   ATOM 686 HG3 B ARG A 43 ? 17.21505 -8.94474 10.92132 0.673 38.35308 H ? A ? 43 HG3 1
   ATOM 687 HD2 B ARG A 43 ? 15.53437 -11.17578 11.35911 0.673 35.42241 H ? A ? 43 HD2 1
   ATOM 688 HD3 B ARG A 43 ? 15.78253 -10.08254 12.48545 0.673 35.42241 H ? A ? 43 HD3 1
   ATOM 689 HE B ARG A 43 ? 14.08888 -9.81629 10.45447 0.673 23.20327 H ? A ? 43 HE 1
   ATOM 690 HH11 B ARG A 43 ? 16.03305 -7.88360 12.32871 0.673 17.63703 H ? A ? 43 HH11 1
   ATOM 691 HH12 B ARG A 43 ? 15.19976 -6.65597 12.19695 0.673 17.63703 H ? A ? 43 HH12 1
   ATOM 692 HH21 B ARG A 43 ? 12.82178 -7.95217 10.32099 0.673 14.42945 H ? A ? 43 HH21 1
   ATOM 693 HH22 B ARG A 43 ? 13.26441 -6.69566 10.98738 0.673 14.42945 H ? A ? 43 HH22 1
   ATOM 694 N A GLY A 44 ? 18.06658 -10.81712 6.28531 0.327 19.28437 N ? A ? 44 N 1
   ATOM 695 CA A GLY A 44 ? 17.71103 -11.49445 5.05196 0.327 14.86907 C ? A ? 44 CA 1
   ATOM 696 C A GLY A 44 ? 16.28487 -11.99333 4.99122 0.327 13.83068 C ? A ? 44 C 1
   ATOM 697 O A GLY A 44 ? 15.99854 -12.94851 4.26405 0.327 18.23017 O ? A ? 44 O 1
   ATOM 698 H A GLY A 44 ? 18.23776 -9.98008 6.18697 0.327 23.11816 H ? A ? 44 H 1
   ATOM 699 HA2 A GLY A 44 ? 17.84197 -10.88159 4.31158 0.327 17.81980 H ? A ? 44 HA2 1
   ATOM 700 HA3 A GLY A 44 ? 18.29708 -12.25875 4.93669 0.327 17.81980 H ? A ? 44 HA3 1
   ATOM 701 N B GLY A 44 ? 17.89893 -10.91007 6.48216 0.673 15.71083 N ? A ? 44 N 1
   ATOM 702 CA B GLY A 44 ? 17.68146 -11.62412 5.24186 0.673 18.58515 C ? A ? 44 CA 1
   ATOM 703 C B GLY A 44 ? 16.24990 -12.00373 4.93051 0.673 13.58732 C ? A ? 44 C 1
   ATOM 704 O B GLY A 44 ? 16.02138 -12.69575 3.93440 0.673 15.26597 O ? A ? 44 O 1
   ATOM 705 H B GLY A 44 ? 17.79322 -10.06002 6.40575 0.673 18.82992 H ? A ? 44 H 1
   ATOM 706 HA2 B GLY A 44 ? 18.00009 -11.07096 4.51153 0.673 22.27909 H ? A ? 44 HA2 1
   ATOM 707 HA3 B GLY A 44 ? 18.19983 -12.44362 5.26676 0.673 22.27909 H ? A ? 44 HA3 1
   ATOM 708 N A LYS A 45 ? 15.37259 -11.35487 5.71113 0.327 14.43656 N ? A ? 45 N 1
   ATOM 709 CA A LYS A 45 ? 14.01107 -11.85683 5.78233 0.327 14.18104 C ? A ? 45 CA 1
   ATOM 710 C A LYS A 45 ? 13.00891 -10.71230 5.79568 0.327 13.34758 C ? A ? 45 C 1
   ATOM 711 O A LYS A 45 ? 13.00439 -9.90877 6.73752 0.327 9.87833 O ? A ? 45 O 1
   ATOM 712 CB A LYS A 45 ? 13.85087 -12.68666 7.05882 0.327 11.73029 C ? A ? 45 CB 1
   ATOM 713 CG A LYS A 45 ? 12.45703 -13.20730 7.29054 0.327 15.23140 C ? A ? 45 CG 1
   ATOM 714 CD A LYS A 45 ? 12.40104 -14.10454 8.51748 0.327 22.90334 C ? A ? 45 CD 1
   ATOM 715 CE A LYS A 45 ? 10.96380 -14.55614 8.77505 0.327 31.87781 C ? A ? 45 CE 1
   ATOM 716 NZ A LYS A 45 ? 10.36915 -15.19036 7.53678 0.327 29.81663 N ? A ? 45 NZ 1
   ATOM 717 H A LYS A 45 ? 15.51690 -10.63689 6.16200 0.327 17.30079 H ? A ? 45 H 1
   ATOM 718 HA A LYS A 45 ? 13.82880 -12.40177 5.00085 0.327 16.99416 H ? A ? 45 HA 1
   ATOM 719 HB2 A LYS A 45 ? 14.44514 -13.45156 7.00725 0.327 14.05326 H ? A ? 45 HB2 1
   ATOM 720 HB3 A LYS A 45 ? 14.08771 -12.13322 7.81942 0.327 14.05326 H ? A ? 45 HB3 1
   ATOM 721 HG2 A LYS A 45 ? 11.85313 -12.46103 7.42939 0.327 18.25460 H ? A ? 45 HG2 1
   ATOM 722 HG3 A LYS A 45 ? 12.17387 -13.72433 6.52021 0.327 18.25460 H ? A ? 45 HG3 1
   ATOM 723 HD2 A LYS A 45 ? 12.95197 -14.88971 8.37301 0.327 27.46092 H ? A ? 45 HD2 1
   ATOM 724 HD3 A LYS A 45 ? 12.71675 -13.61599 9.29372 0.327 27.46092 H ? A ? 45 HD3 1
   ATOM 725 HE2 A LYS A 45 ? 10.95346 -15.21027 9.49122 0.327 38.23029 H ? A ? 45 HE2 1
   ATOM 726 HE3 A LYS A 45 ? 10.42219 -13.78912 9.01846 0.327 38.23029 H ? A ? 45 HE3 1
   ATOM 727 HZ1 A LYS A 45 ? 9.61492 -15.61477 7.74442 0.327 35.75687 H ? A ? 45 HZ1 1
   ATOM 728 HZ2 A LYS A 45 ? 10.19061 -14.56429 6.92993 0.327 35.75687 H ? A ? 45 HZ2 1
   ATOM 729 HZ3 A LYS A 45 ? 10.94300 -15.77480 7.18861 0.327 35.75687 H ? A ? 45 HZ3 1
   ATOM 730 N B LYS A 45 ? 15.27889 -11.56575 5.73041 0.673 12.02630 N ? A ? 45 N 1
   ATOM 731 CA B LYS A 45 ? 13.89571 -11.97496 5.58651 0.673 14.04847 C ? A ? 45 CA 1
   ATOM 732 C B LYS A 45 ? 13.00975 -10.74321 5.62622 0.673 11.18179 C ? A ? 45 C 1
   ATOM 733 O B LYS A 45 ? 13.21972 -9.86400 6.46730 0.673 13.32235 O ? A ? 45 O 1
   ATOM 734 CB B LYS A 45 ? 13.52392 -12.90385 6.76681 0.673 16.69474 C ? A ? 45 CB 1
   ATOM 735 CG B LYS A 45 ? 12.05566 -13.25339 6.88721 0.673 22.27732 C ? A ? 45 CG 1
   ATOM 736 CD B LYS A 45 ? 11.77415 -13.90964 8.24247 0.673 32.78260 C ? A ? 45 CD 1
   ATOM 737 CE B LYS A 45 ? 10.27909 -13.99846 8.51872 0.673 37.75050 C ? A ? 45 CE 1
   ATOM 738 NZ B LYS A 45 ? 9.96602 -14.44061 9.90189 0.673 45.03891 N ? A ? 45 NZ 1
   ATOM 739 H B LYS A 45 ? 15.40593 -11.01620 6.37961 0.673 14.40847 H ? A ? 45 H 1
   ATOM 740 HA B LYS A 45 ? 13.75170 -12.43666 4.74568 0.673 16.83508 H ? A ? 45 HA 1
   ATOM 741 HB2 B LYS A 45 ? 14.01091 -13.73645 6.66424 0.673 20.01060 H ? A ? 45 HB2 1
   ATOM 742 HB3 B LYS A 45 ? 13.78470 -12.46652 7.59242 0.673 20.01060 H ? A ? 45 HB3 1
   ATOM 743 HG2 B LYS A 45 ? 11.52190 -12.44651 6.81693 0.673 26.70970 H ? A ? 45 HG2 1
   ATOM 744 HG3 B LYS A 45 ? 11.81030 -13.87571 6.18478 0.673 26.70970 H ? A ? 45 HG3 1
   ATOM 745 HD2 B LYS A 45 ? 12.13897 -14.80841 8.24639 0.673 39.31604 H ? A ? 45 HD2 1
   ATOM 746 HD3 B LYS A 45 ? 12.18356 -13.38233 8.94619 0.673 39.31604 H ? A ? 45 HD3 1
   ATOM 747 HE2 B LYS A 45 ? 9.88238 -13.12289 8.38873 0.673 45.27752 H ? A ? 45 HE2 1
   ATOM 748 HE3 B LYS A 45 ? 9.88292 -14.63663 7.90497 0.673 45.27752 H ? A ? 45 HE3 1
   ATOM 749 HZ1 B LYS A 45 ? 9.09009 -14.38343 10.04882 0.673 54.02361 H ? A ? 45 HZ1 1
   ATOM 750 HZ2 B LYS A 45 ? 10.22378 -15.28460 10.01735 0.673 54.02361 H ? A ? 45 HZ2 1
   ATOM 751 HZ3 B LYS A 45 ? 10.39173 -13.92559 10.48979 0.673 54.02361 H ? A ? 45 HZ3 1
   ATOM 752 N A PRO A 46 ? 12.10726 -10.63305 4.80609 0.327 12.30513 N ? A ? 46 N 1
   ATOM 753 CA A PRO A 46 ? 11.11449 -9.54492 4.82097 0.327 13.10420 C ? A ? 46 CA 1
   ATOM 754 C A PRO A 46 ? 10.36303 -9.44304 6.14131 0.327 10.55865 C ? A ? 46 C 1
   ATOM 755 O A PRO A 46 ? 10.39458 -10.36440 6.96868 0.327 10.68343 O ? A ? 46 O 1
   ATOM 756 CB A PRO A 46 ? 10.17680 -9.90717 3.65875 0.327 15.59407 C ? A ? 46 CB 1
   ATOM 757 CG A PRO A 46 ? 11.04957 -10.70131 2.69739 0.327 7.78475 C ? A ? 46 CG 1
   ATOM 758 CD A PRO A 46 ? 11.97145 -11.49766 3.61359 0.327 10.01647 C ? A ? 46 CD 1
   ATOM 759 HA A PRO A 46 ? 11.54587 -8.69596 4.63636 0.327 15.70196 H ? A ? 46 HA 1
   ATOM 760 HB2 A PRO A 46 ? 9.43746 -10.44446 3.98368 0.327 18.68980 H ? A ? 46 HB2 1
   ATOM 761 HB3 A PRO A 46 ? 9.84085 -9.09974 3.23909 0.327 18.68980 H ? A ? 46 HB3 1
   ATOM 762 HG2 A PRO A 46 ? 10.50125 -11.28917 2.15456 0.327 9.31862 H ? A ? 46 HG2 1
   ATOM 763 HG3 A PRO A 46 ? 11.55476 -10.09969 2.12840 0.327 9.31862 H ? A ? 46 HG3 1
   ATOM 764 HD2 A PRO A 46 ? 11.57069 -12.34891 3.84951 0.327 11.99668 H ? A ? 46 HD2 1
   ATOM 765 HD3 A PRO A 46 ? 12.83361 -11.64203 3.19318 0.327 11.99668 H ? A ? 46 HD3 1
   ATOM 766 N B PRO A 46 ? 11.99104 -10.66031 4.77478 0.673 13.87271 N ? A ? 46 N 1
   ATOM 767 CA B PRO A 46 ? 11.10463 -9.49031 4.81150 0.673 11.97629 C ? A ? 46 CA 1
   ATOM 768 C B PRO A 46 ? 10.17377 -9.50843 6.01734 0.673 13.67068 C ? A ? 46 C 1
   ATOM 769 O B PRO A 46 ? 9.88387 -10.54847 6.61567 0.673 15.01741 O ? A ? 46 O 1
   ATOM 770 CB B PRO A 46 ? 10.31952 -9.57608 3.49993 0.673 19.27103 C ? A ? 46 CB 1
   ATOM 771 CG B PRO A 46 ? 10.35449 -11.03255 3.11548 0.673 30.12308 C ? A ? 46 CG 1
   ATOM 772 CD B PRO A 46 ? 11.67606 -11.57414 3.65644 0.673 16.51877 C ? A ? 46 CD 1
   ATOM 773 HA B PRO A 46 ? 11.62948 -8.67463 4.82174 0.673 14.34846 H ? A ? 46 HA 1
   ATOM 774 HB2 B PRO A 46 ? 9.40779 -9.27662 3.64130 0.673 23.10215 H ? A ? 46 HB2 1
   ATOM 775 HB3 B PRO A 46 ? 10.74739 -9.02850 2.82318 0.673 23.10215 H ? A ? 46 HB3 1
   ATOM 776 HG2 B PRO A 46 ? 9.60295 -11.49541 3.51779 0.673 36.12461 H ? A ? 46 HG2 1
   ATOM 777 HG3 B PRO A 46 ? 10.31790 -11.11717 2.14987 0.673 36.12461 H ? A ? 46 HG3 1
   ATOM 778 HD2 B PRO A 46 ? 11.57093 -12.48445 3.97454 0.673 19.79944 H ? A ? 46 HD2 1
   ATOM 779 HD3 B PRO A 46 ? 12.36722 -11.53793 2.97682 0.673 19.79944 H ? A ? 46 HD3 1
   ATOM 780 N . PHE A 47 ? 9.69352 -8.31422 6.35762 1.000 12.54203 N ? A ? 47 N 1
   ATOM 781 CA . PHE A 47 ? 8.91015 -8.05871 7.55308 1.000 12.56494 C ? A ? 47 CA 1
   ATOM 782 C . PHE A 47 ? 7.49701 -7.71177 7.12647 1.000 12.24737 C ? A ? 47 C 1
   ATOM 783 O . PHE A 47 ? 7.30085 -6.97310 6.16018 1.000 13.59550 O ? A ? 47 O 1
   ATOM 784 CB . PHE A 47 ? 9.54420 -6.89028 8.30333 1.000 12.93721 C ? A ? 47 CB 1
   ATOM 785 CG . PHE A 47 ? 8.70794 -6.36352 9.44266 1.000 15.89182 C ? A ? 47 CG 1
   ATOM 786 CD1 . PHE A 47 ? 8.60041 -7.05415 10.62860 1.000 17.10449 C ? A ? 47 CD1 1
   ATOM 787 CD2 . PHE A 47 ? 8.06179 -5.15526 9.33190 1.000 16.39318 C ? A ? 47 CD2 1
   ATOM 788 CE1 . PHE A 47 ? 7.84240 -6.56123 11.67326 1.000 20.06993 C ? A ? 47 CE1 1
   ATOM 789 CE2 . PHE A 47 ? 7.30845 -4.64032 10.36896 1.000 18.52984 C ? A ? 47 CE2 1
   ATOM 790 CZ . PHE A 47 ? 7.19994 -5.34793 11.54210 1.000 19.95436 C ? A ? 47 CZ 1
   ATOM 791 HA . PHE A 47 ? 8.86617 -8.82957 8.14023 1.000 15.05484 H ? A ? 47 HA 1
   ATOM 792 HB2 . PHE A 47 ? 10.39323 -7.18145 8.67114 1.000 15.50157 H ? A ? 47 HB2 1
   ATOM 793 HB3 . PHE A 47 ? 9.68547 -6.16082 7.67977 1.000 15.50157 H ? A ? 47 HB3 1
   ATOM 794 HD1 . PHE A 47 ? 9.04483 -7.86500 10.72814 1.000 20.50230 H ? A ? 47 HD1 1
   ATOM 795 HD2 . PHE A 47 ? 8.13353 -4.67305 8.53993 1.000 19.64873 H ? A ? 47 HD2 1
   ATOM 796 HE1 . PHE A 47 ? 7.76559 -7.04639 12.46296 1.000 24.06083 H ? A ? 47 HE1 1
   ATOM 797 HE2 . PHE A 47 ? 6.87815 -3.82134 10.27405 1.000 22.21273 H ? A ? 47 HE2 1
   ATOM 798 HZ . PHE A 47 ? 6.69460 -5.00951 12.24566 1.000 23.92215 H ? A ? 47 HZ 1
   ATOM 799 H A PHE A 47 ? 9.67979 -7.65796 5.80198 0.327 15.02736 H ? A ? 47 H 1
   ATOM 800 H B PHE A 47 ? 9.81689 -7.60571 5.88602 0.673 15.02736 H ? A ? 47 H 1
   ATOM 801 N A ARG A 48 ? 6.51955 -8.23980 7.84543 0.530 12.79568 N ? A ? 48 N 1
   ATOM 802 CA A ARG A 48 ? 5.11045 -8.03309 7.57187 0.530 12.68359 C ? A ? 48 CA 1
   ATOM 803 C A ARG A 48 ? 4.48279 -7.23482 8.70780 0.530 10.80056 C ? A ? 48 C 1
   ATOM 804 O A ARG A 48 ? 4.86516 -7.37174 9.87426 0.530 11.00600 O ? A ? 48 O 1
   ATOM 805 CB A ARG A 48 ? 4.39146 -9.38544 7.46959 0.530 13.98556 C ? A ? 48 CB 1
   ATOM 806 CG A ARG A 48 ? 5.01828 -10.36551 6.49433 0.530 19.34920 C ? A ? 48 CG 1
   ATOM 807 CD A ARG A 48 ? 4.39892 -11.75563 6.64694 0.530 24.50492 C ? A ? 48 CD 1
   ATOM 808 NE A ARG A 48 ? 2.96204 -11.75670 6.39370 0.530 26.60226 N ? A ? 48 NE 1
   ATOM 809 CZ A ARG A 48 ? 2.03440 -11.79061 7.34117 0.530 24.12644 C ? A ? 48 CZ 1
   ATOM 810 NH1 A ARG A 48 ? 2.35737 -11.84437 8.62411 0.530 43.97189 N ? A ? 48 NH1 1
   ATOM 811 NH2 A ARG A 48 ? 0.74987 -11.77237 6.99452 0.530 38.60245 N ? A ? 48 NH2 1
   ATOM 812 H A ARG A 48 ? 6.65539 -8.74474 8.52821 0.530 15.33173 H ? A ? 48 H 1
   ATOM 813 HA A ARG A 48 ? 5.00079 -7.54390 6.74147 0.530 15.19723 H ? A ? 48 HA 1
   ATOM 814 HB2 A ARG A 48 ? 4.39412 -9.80274 8.34523 0.530 16.75959 H ? A ? 48 HB2 1
   ATOM 815 HB3 A ARG A 48 ? 3.47921 -9.22818 7.17979 0.530 16.75959 H ? A ? 48 HB3 1
   ATOM 816 HG2 A ARG A 48 ? 4.86791 -10.05966 5.58617 0.530 23.19596 H ? A ? 48 HG2 1
   ATOM 817 HG3 A ARG A 48 ? 5.97016 -10.43192 6.66871 0.530 23.19596 H ? A ? 48 HG3 1
   ATOM 818 HD2 A ARG A 48 ? 4.81655 -12.36041 6.01393 0.530 29.38282 H ? A ? 48 HD2 1
   ATOM 819 HD3 A ARG A 48 ? 4.54514 -12.07056 7.55267 0.530 29.38282 H ? A ? 48 HD3 1
   ATOM 820 HE A ARG A 48 ? 2.69890 -11.73380 5.57527 0.530 31.89963 H ? A ? 48 HE 1
   ATOM 821 HH11 A ARG A 48 ? 3.18453 -11.85802 8.85910 0.530 52.74318 H ? A ? 48 HH11 1
   ATOM 822 HH12 A ARG A 48 ? 1.73998 -11.86563 9.22242 0.530 52.74318 H ? A ? 48 HH12 1
   ATOM 823 HH21 A ARG A 48 ? 0.52904 -11.73893 6.16403 0.530 46.29985 H ? A ? 48 HH21 1
   ATOM 824 HH22 A ARG A 48 ? 0.14049 -11.79403 7.60097 0.530 46.29985 H ? A ? 48 HH22 1
   ATOM 825 N B ARG A 48 ? 6.50259 -8.22154 7.84497 0.470 12.10986 N ? A ? 48 N 1
   ATOM 826 CA B ARG A 48 ? 5.09944 -8.03752 7.50215 0.470 12.87438 C ? A ? 48 CA 1
   ATOM 827 C B ARG A 48 ? 4.34464 -7.39534 8.66132 0.470 15.32644 C ? A ? 48 C 1
   ATOM 828 O B ARG A 48 ? 4.48060 -7.82314 9.80665 0.470 12.94112 O ? A ? 48 O 1
   ATOM 829 CB B ARG A 48 ? 4.43813 -9.38827 7.19022 0.470 21.39052 C ? A ? 48 CB 1
   ATOM 830 CG B ARG A 48 ? 4.99959 -10.12724 5.98950 0.470 21.70470 C ? A ? 48 CG 1
   ATOM 831 CD B ARG A 48 ? 4.29777 -11.47082 5.78587 0.470 24.58533 C ? A ? 48 CD 1
   ATOM 832 NE B ARG A 48 ? 2.84520 -11.36309 5.87784 0.470 32.96665 N ? A ? 48 NE 1
   ATOM 833 CZ B ARG A 48 ? 2.00043 -12.36519 5.67165 0.470 35.08135 C ? A ? 48 CZ 1
   ATOM 834 NH1 B ARG A 48 ? 2.42622 -13.57033 5.32572 0.470 41.33810 N ? A ? 48 NH1 1
   ATOM 835 NH2 B ARG A 48 ? 0.69455 -12.15341 5.81613 0.470 27.31088 N ? A ? 48 NH2 1
   ATOM 836 H B ARG A 48 ? 6.62048 -8.69111 8.55575 0.470 14.50874 H ? A ? 48 H 1
   ATOM 837 HA B ARG A 48 ? 5.04163 -7.45187 6.73107 0.470 15.42618 H ? A ? 48 HA 1
   ATOM 838 HB2 B ARG A 48 ? 4.54609 -9.96635 7.96163 0.470 25.64554 H ? A ? 48 HB2 1
   ATOM 839 HB3 B ARG A 48 ? 3.49561 -9.23463 7.02010 0.470 25.64554 H ? A ? 48 HB3 1
   ATOM 840 HG2 B ARG A 48 ? 4.87016 -9.59077 5.19178 0.470 26.02255 H ? A ? 48 HG2 1
   ATOM 841 HG3 B ARG A 48 ? 5.94515 -10.29407 6.12729 0.470 26.02255 H ? A ? 48 HG3 1
   ATOM 842 HD2 B ARG A 48 ? 4.51867 -11.81378 4.90582 0.470 29.47932 H ? A ? 48 HD2 1
   ATOM 843 HD3 B ARG A 48 ? 4.59702 -12.09154 6.46855 0.470 29.47932 H ? A ? 48 HD3 1
   ATOM 844 HE B ARG A 48 ? 2.51339 -10.59585 6.07996 0.470 39.53689 H ? A ? 48 HE 1
   ATOM 845 HH11 B ARG A 48 ? 3.26803 -13.71781 5.22973 0.470 49.58264 H ? A ? 48 HH11 1
   ATOM 846 HH12 B ARG A 48 ? 1.86096 -14.20556 5.19704 0.470 49.58264 H ? A ? 48 HH12 1
   ATOM 847 HH21 B ARG A 48 ? 0.40751 -11.37442 6.04057 0.470 32.74998 H ? A ? 48 HH21 1
   ATOM 848 HH22 B ARG A 48 ? 0.13771 -12.79555 5.68506 0.470 32.74998 H ? A ? 48 HH22 1
   ATOM 849 N . PHE A 49 ? 3.50881 -6.39950 8.36055 1.000 11.96129 N ? A ? 49 N 1
   ATOM 850 CA . PHE A 49 ? 2.70490 -5.72738 9.38225 1.000 13.06435 C ? A ? 49 CA 1
   ATOM 851 C . PHE A 49 ? 1.38885 -5.28630 8.75370 1.000 12.99238 C ? A ? 49 C 1
   ATOM 852 O . PHE A 49 ? 1.27920 -5.14483 7.53757 1.000 14.76391 O ? A ? 49 O 1
   ATOM 853 CB . PHE A 49 ? 3.44714 -4.54777 10.03658 1.000 13.12348 C ? A ? 49 CB 1
   ATOM 854 CG . PHE A 49 ? 3.56740 -3.33683 9.14685 1.000 10.90616 C ? A ? 49 CG 1
   ATOM 855 CD1 . PHE A 49 ? 4.50721 -3.29564 8.13350 1.000 11.90329 C ? A ? 49 CD1 1
   ATOM 856 CD2 . PHE A 49 ? 2.74727 -2.22310 9.34069 1.000 14.84461 C ? A ? 49 CD2 1
   ATOM 857 CE1 . PHE A 49 ? 4.61101 -2.19400 7.30236 1.000 13.29619 C ? A ? 49 CE1 1
   ATOM 858 CE2 . PHE A 49 ? 2.85188 -1.10183 8.52598 1.000 12.03899 C ? A ? 49 CE2 1
   ATOM 859 CZ . PHE A 49 ? 3.78751 -1.08853 7.49120 1.000 13.86315 C ? A ? 49 CZ 1
   ATOM 860 HA . PHE A 49 ? 2.50190 -6.35687 10.09178 1.000 15.65414 H ? A ? 49 HA 1
   ATOM 861 HB2 . PHE A 49 ? 2.96612 -4.28135 10.83567 1.000 15.72509 H ? A ? 49 HB2 1
   ATOM 862 HB3 . PHE A 49 ? 4.34414 -4.83430 10.26936 1.000 15.72509 H ? A ? 49 HB3 1
   ATOM 863 HD1 . PHE A 49 ? 5.07813 -4.01907 8.00859 1.000 14.26087 H ? A ? 49 HD1 1
   ATOM 864 HD2 . PHE A 49 ? 2.11993 -2.23187 10.02718 1.000 17.79045 H ? A ? 49 HD2 1
   ATOM 865 HE1 . PHE A 49 ? 5.23530 -2.19259 6.61304 1.000 15.93234 H ? A ? 49 HE1 1
   ATOM 866 HE2 . PHE A 49 ? 2.30205 -0.36565 8.66964 1.000 14.42370 H ? A ? 49 HE2 1
   ATOM 867 HZ . PHE A 49 ? 3.86006 -0.34810 6.93317 1.000 16.61270 H ? A ? 49 HZ 1
   ATOM 868 H A PHE A 49 ? 3.29451 -6.20599 7.55047 0.530 14.33047 H ? A ? 49 H 1
   ATOM 869 H B PHE A 49 ? 3.38867 -6.09267 7.56618 0.470 14.33047 H ? A ? 49 H 1
   ATOM 870 N . THR A 50 ? 0.38221 -5.06212 9.59648 1.000 14.96529 N ? A ? 50 N 1
   ATOM 871 CA . THR A 50 ? -0.91979 -4.60460 9.12204 1.000 15.09377 C ? A ? 50 CA 1
   ATOM 872 C . THR A 50 ? -0.99307 -3.07633 9.22139 1.000 13.03223 C ? A ? 50 C 1
   ATOM 873 O . THR A 50 ? -0.86059 -2.50712 10.31526 1.000 16.09875 O ? A ? 50 O 1
   ATOM 874 CB . THR A 50 ? -2.03821 -5.27264 9.91979 1.000 19.50590 C ? A ? 50 CB 1
   ATOM 875 OG1 . THR A 50 ? -1.89997 -6.69328 9.82316 1.000 20.71401 O ? A ? 50 OG1 1
   ATOM 876 CG2 . THR A 50 ? -3.39748 -4.88109 9.38273 1.000 18.74906 C ? A ? 50 CG2 1
   ATOM 877 H . THR A 50 ? 0.42997 -5.16831 10.44856 1.000 17.93527 H ? A ? 50 H 1
   ATOM 878 HA . THR A 50 ? -1.03261 -4.84283 8.18854 1.000 18.08944 H ? A ? 50 HA 1
   ATOM 879 HB . THR A 50 ? -1.98218 -4.98969 10.84591 1.000 23.38400 H ? A ? 50 HB 1
   ATOM 880 HG1 . THR A 50 ? -1.10474 -6.91570 9.97728 1.000 24.83373 H ? A ? 50 HG1 1
   ATOM 881 HG21 . THR A 50 ? -4.09252 -5.36932 9.85119 1.000 22.47579 H ? A ? 50 HG21 1
   ATOM 882 HG22 . THR A 50 ? -3.54212 -3.93008 9.50746 1.000 22.47579 H ? A ? 50 HG22 1
   ATOM 883 HG23 . THR A 50 ? -3.45193 -5.08632 8.43625 1.000 22.47579 H ? A ? 50 HG23 1
   ATOM 884 N . VAL A 51 ? -1.21322 -2.41673 8.08568 1.000 15.31767 N ? A ? 51 N 1
   ATOM 885 CA . VAL A 51 ? -1.20277 -0.96034 8.05077 1.000 14.93230 C ? A ? 51 CA 1
   ATOM 886 C . VAL A 51 ? -2.31290 -0.41546 8.93297 1.000 17.39732 C ? A ? 51 C 1
   ATOM 887 O . VAL A 51 ? -3.45773 -0.89098 8.91079 1.000 17.87558 O ? A ? 51 O 1
   ATOM 888 CB . VAL A 51 ? -1.31893 -0.46212 6.60440 1.000 14.70852 C ? A ? 51 CB 1
   ATOM 889 CG1 . VAL A 51 ? -1.51366 1.04749 6.57278 1.000 17.07727 C ? A ? 51 CG1 1
   ATOM 890 CG2 . VAL A 51 ? -0.07582 -0.83068 5.82646 1.000 16.43010 C ? A ? 51 CG2 1
   ATOM 891 H . VAL A 51 ? -1.37019 -2.78833 7.32615 1.000 18.35812 H ? A ? 51 H 1
   ATOM 892 HA . VAL A 51 ? -0.35948 -0.64283 8.40985 1.000 17.89567 H ? A ? 51 HA 1
   ATOM 893 HB . VAL A 51 ? -2.08891 -0.88271 6.19072 1.000 17.62714 H ? A ? 51 HB 1
   ATOM 894 HG11 . VAL A 51 ? -1.37806 1.36447 5.66612 1.000 20.46964 H ? A ? 51 HG11 1
   ATOM 895 HG12 . VAL A 51 ? -2.41492 1.25583 6.86471 1.000 20.46964 H ? A ? 51 HG12 1
   ATOM 896 HG13 . VAL A 51 ? -0.86918 1.46157 7.16782 1.000 20.46964 H ? A ? 51 HG13 1
   ATOM 897 HG21 . VAL A 51 ? -0.04133 -0.29902 5.01587 1.000 19.69304 H ? A ? 51 HG21 1
   ATOM 898 HG22 . VAL A 51 ? 0.70437 -0.65021 6.37385 1.000 19.69304 H ? A ? 51 HG22 1
   ATOM 899 HG23 . VAL A 51 ? -0.11161 -1.77373 5.60223 1.000 19.69304 H ? A ? 51 HG23 1
   ATOM 900 N . GLY A 52 ? -1.97260 0.59296 9.72289 1.000 15.31521 N ? A ? 52 N 1
   ATOM 901 CA . GLY A 52 ? -2.94246 1.30011 10.53242 1.000 20.01545 C ? A ? 52 CA 1
   ATOM 902 C . GLY A 52 ? -3.23298 0.69269 11.88673 1.000 19.06396 C ? A ? 52 C 1
   ATOM 903 O . GLY A 52 ? -4.05836 1.23797 12.62533 1.000 26.49112 O ? A ? 52 O 1
   ATOM 904 H . GLY A 52 ? -1.16979 0.88972 9.80673 1.000 18.35517 H ? A ? 52 H 1
   ATOM 905 HA2 . GLY A 52 ? -2.61974 2.20286 10.68006 1.000 23.99545 H ? A ? 52 HA2 1
   ATOM 906 HA3 . GLY A 52 ? -3.77968 1.33992 10.04419 1.000 23.99545 H ? A ? 52 HA3 1
   ATOM 907 N . ARG A 53 ? -2.57686 -0.39562 12.26221 1.000 21.97660 N ? A ? 53 N 1
   ATOM 908 CA . ARG A 53 ? -2.92773 -1.10531 13.48463 1.000 21.12301 C ? A ? 53 CA 1
   ATOM 909 C . ARG A 53 ? -2.01507 -0.78324 14.65962 1.000 25.96656 C ? A ? 53 C 1
   ATOM 910 O . ARG A 53 ? -2.20266 -1.34359 15.74112 1.000 34.05856 O ? A ? 53 O 1
   ATOM 911 CB . ARG A 53 ? -2.95899 -2.61205 13.22396 1.000 25.84546 C ? A ? 53 CB 1
   ATOM 912 CG . ARG A 53 ? -4.20189 -3.06603 12.47202 1.000 43.29501 C ? A ? 53 CG 1
   ATOM 913 CD . ARG A 53 ? -5.22267 -3.69300 13.42160 1.000 51.05351 C ? A ? 53 CD 1
   ATOM 914 NE . ARG A 53 ? -4.75324 -4.97350 13.93846 1.000 72.45439 N ? A ? 53 NE 1
   ATOM 915 CZ . ARG A 53 ? -5.04968 -6.14893 13.40031 1.000 70.72187 C ? A ? 53 CZ 1
   ATOM 916 NH1 . ARG A 53 ? -5.85477 -6.24808 12.35494 1.000 43.21148 N ? A ? 53 NH1 1
   ATOM 917 NH2 . ARG A 53 ? -4.52483 -7.25292 13.92294 1.000 75.72623 N ? A ? 53 NH2 1
   ATOM 918 H . ARG A 53 ? -1.92313 -0.74376 11.82513 1.000 26.34884 H ? A ? 53 H 1
   ATOM 919 HA . ARG A 53 ? -3.82154 -0.83738 13.74960 1.000 25.32453 H ? A ? 53 HA 1
   ATOM 920 HB2 . ARG A 53 ? -2.18408 -2.85482 12.69342 1.000 30.99146 H ? A ? 53 HB2 1
   ATOM 921 HB3 . ARG A 53 ? -2.93801 -3.07809 14.07441 1.000 30.99146 H ? A ? 53 HB3 1
   ATOM 922 HG2 . ARG A 53 ? -4.61454 -2.30199 12.03976 1.000 51.93093 H ? A ? 53 HG2 1
   ATOM 923 HG3 . ARG A 53 ? -3.95354 -3.72852 11.80844 1.000 51.93093 H ? A ? 53 HG3 1
   ATOM 924 HD2 . ARG A 53 ? -5.37185 -3.09692 14.17216 1.000 61.24113 H ? A ? 53 HD2 1
   ATOM 925 HD3 . ARG A 53 ? -6.05477 -3.84221 12.94595 1.000 61.24113 H ? A ? 53 HD3 1
   ATOM 926 HE . ARG A 53 ? -4.25193 -4.96590 14.63719 1.000 86.92219 H ? A ? 53 HE 1
   ATOM 927 HH11 . ARG A 53 ? -6.19915 -5.54016 12.00874 1.000 51.83070 H ? A ? 53 HH11 1
   ATOM 928 HH12 . ARG A 53 ? -6.03367 -7.02045 12.02169 1.000 51.83070 H ? A ? 53 HH12 1
   ATOM 929 HH21 . ARG A 53 ? -3.99985 -7.19967 14.60203 1.000 90.84839 H ? A ? 53 HH21 1
   ATOM 930 HH22 . ARG A 53 ? -4.71028 -8.02033 13.58194 1.000 90.84839 H ? A ? 53 HH22 1
   ATOM 931 N . GLY A 54 ? -1.05264 0.11571 14.48868 1.000 21.97952 N ? A ? 54 N 1
   ATOM 932 CA . GLY A 54 ? -0.17239 0.44985 15.58769 1.000 25.91411 C ? A ? 54 CA 1
   ATOM 933 C . GLY A 54 ? 0.82015 -0.62882 15.95068 1.000 18.59409 C ? A ? 54 C 1
   ATOM 934 O . GLY A 54 ? 1.36521 -0.60869 17.05651 1.000 22.98479 O ? A ? 54 O 1
   ATOM 935 H . GLY A 54 ? -0.89451 0.53734 13.75600 1.000 26.35235 H ? A ? 54 H 1
   ATOM 936 HA2 . GLY A 54 ? 0.32830 1.24718 15.35430 1.000 31.07385 H ? A ? 54 HA2 1
   ATOM 937 HA3 . GLY A 54 ? -0.71095 0.63378 16.37319 1.000 31.07385 H ? A ? 54 HA3 1
   ATOM 938 N . GLU A 55 ? 1.06230 -1.58450 15.04892 1.000 21.20768 N ? A ? 55 N 1
   ATOM 939 CA . GLU A 55 ? 2.09786 -2.59148 15.24126 1.000 20.50428 C ? A ? 55 CA 1
   ATOM 940 C . GLU A 55 ? 3.48860 -2.02546 15.02506 1.000 23.58288 C ? A ? 55 C 1
   ATOM 941 O . GLU A 55 ? 4.47722 -2.67402 15.38490 1.000 22.75266 O ? A ? 55 O 1
   ATOM 942 CB . GLU A 55 ? 1.87813 -3.73369 14.24574 1.000 19.59889 C ? A ? 55 CB 1
   ATOM 943 CG . GLU A 55 ? 0.51732 -4.37441 14.38905 1.000 23.96368 C ? A ? 55 CG 1
   ATOM 944 CD . GLU A 55 ? 0.20970 -5.37946 13.30324 1.000 37.91624 C ? A ? 55 CD 1
   ATOM 945 OE1 . GLU A 55 ? 1.06612 -5.60532 12.41652 1.000 26.34519 O ? A ? 55 OE1 1
   ATOM 946 OE2 . GLU A 55 ? -0.90324 -5.94802 13.33415 1.000 34.76831 O ? A ? 55 OE2 1
   ATOM 947 H . GLU A 55 ? 0.63287 -1.66938 14.30867 1.000 25.42614 H ? A ? 55 H 1
   ATOM 948 HA . GLU A 55 ? 2.03961 -2.94097 16.14423 1.000 24.58206 H ? A ? 55 HA 1
   ATOM 949 HB2 . GLU A 55 ? 1.95368 -3.38581 13.34342 1.000 23.49558 H ? A ? 55 HB2 1
   ATOM 950 HB3 . GLU A 55 ? 2.55003 -4.41717 14.39513 1.000 23.49558 H ? A ? 55 HB3 1
   ATOM 951 HG2 . GLU A 55 ? 0.47608 -4.83571 15.24134 1.000 28.73333 H ? A ? 55 HG2 1
   ATOM 952 HG3 . GLU A 55 ? -0.16076 -3.68170 14.35358 1.000 28.73333 H ? A ? 55 HG3 1
   ATOM 953 N . VAL A 56 ? 3.57237 -0.83190 14.44773 1.000 16.45872 N ? A ? 56 N 1
   ATOM 954 CA . VAL A 56 ? 4.81263 -0.15617 14.09878 1.000 14.94850 C ? A ? 56 CA 1
   ATOM 955 C . VAL A 56 ? 4.66334 1.30635 14.50939 1.000 14.75868 C ? A ? 56 C 1
   ATOM 956 O . VAL A 56 ? 3.58767 1.75566 14.92753 1.000 16.51791 O ? A ? 56 O 1
   ATOM 957 CB . VAL A 56 ? 5.09653 -0.25444 12.58750 1.000 14.81855 C ? A ? 56 CB 1
   ATOM 958 CG1 . VAL A 56 ? 5.32366 -1.69877 12.19869 1.000 13.95473 C ? A ? 56 CG1 1
   ATOM 959 CG2 . VAL A 56 ? 3.93495 0.33998 11.79997 1.000 16.87921 C ? A ? 56 CG2 1
   ATOM 960 H . VAL A 56 ? 2.88059 -0.36684 14.23618 1.000 19.72739 H ? A ? 56 H 1
   ATOM 961 HA . VAL A 56 ? 5.55885 -0.54531 14.58111 1.000 17.91511 H ? A ? 56 HA 1
   ATOM 962 HB . VAL A 56 ? 5.89777 0.24834 12.37274 1.000 17.75918 H ? A ? 56 HB 1
   ATOM 963 HG11 . VAL A 56 ? 5.47944 -1.74767 11.24253 1.000 16.72259 H ? A ? 56 HG11 1
   ATOM 964 HG12 . VAL A 56 ? 6.09653 -2.03692 12.67747 1.000 16.72259 H ? A ? 56 HG12 1
   ATOM 965 HG13 . VAL A 56 ? 4.53724 -2.21620 12.43258 1.000 16.72259 H ? A ? 56 HG13 1
   ATOM 966 HG21 . VAL A 56 ? 4.10478 0.22540 10.85185 1.000 20.23197 H ? A ? 56 HG21 1
   ATOM 967 HG22 . VAL A 56 ? 3.11749 -0.11978 12.04751 1.000 20.23197 H ? A ? 56 HG22 1
   ATOM 968 HG23 . VAL A 56 ? 3.86052 1.28382 12.01099 1.000 20.23197 H ? A ? 56 HG23 1
   ATOM 969 N . ILE A 57 ? 5.75349 2.06701 14.38712 1.000 12.98180 N ? A ? 57 N 1
   ATOM 970 CA . ILE A 57 ? 5.68573 3.47914 14.74047 1.000 15.58205 C ? A ? 57 CA 1
   ATOM 971 C . ILE A 57 ? 4.75987 4.22523 13.78425 1.000 12.29592 C ? A ? 57 C 1
   ATOM 972 O . ILE A 57 ? 4.50180 3.80565 12.64551 1.000 12.05553 O ? A ? 57 O 1
   ATOM 973 CB . ILE A 57 ? 7.07805 4.12503 14.78471 1.000 13.87401 C ? A ? 57 CB 1
   ATOM 974 CG1 . ILE A 57 ? 7.78416 4.03518 13.43314 1.000 12.41946 C ? A ? 57 CG1 1
   ATOM 975 CG2 . ILE A 57 ? 7.92966 3.49435 15.88437 1.000 17.69316 C ? A ? 57 CG2 1
   ATOM 976 CD1 . ILE A 57 ? 9.07057 4.83391 13.36381 1.000 19.11482 C ? A ? 57 CD1 1
   ATOM 977 H . ILE A 57 ? 6.52088 1.79531 14.10982 1.000 15.55507 H ? A ? 57 H 1
   ATOM 978 HA . ILE A 57 ? 5.30777 3.54412 15.63143 1.000 18.67538 H ? A ? 57 HA 1
   ATOM 979 HB . ILE A 57 ? 6.95572 5.06560 14.98783 1.000 16.62573 H ? A ? 57 HB 1
   ATOM 980 HG12 . ILE A 57 ? 8.00191 3.10672 13.25584 1.000 14.88027 H ? A ? 57 HG12 1
   ATOM 981 HG13 . ILE A 57 ? 7.18815 4.37313 12.74651 1.000 14.88027 H ? A ? 57 HG13 1
   ATOM 982 HG21 . ILE A 57 ? 8.73440 4.02281 16.00280 1.000 21.20871 H ? A ? 57 HG21 1
   ATOM 983 HG22 . ILE A 57 ? 7.41955 3.47913 16.70926 1.000 21.20871 H ? A ? 57 HG22 1
   ATOM 984 HG23 . ILE A 57 ? 8.16335 2.58987 15.62322 1.000 21.20871 H ? A ? 57 HG23 1
   ATOM 985 HD11 . ILE A 57 ? 9.44319 4.75566 12.47166 1.000 22.91470 H ? A ? 57 HD11 1
   ATOM 986 HD12 . ILE A 57 ? 8.87606 5.76360 13.56066 1.000 22.91470 H ? A ? 57 HD12 1
   ATOM 987 HD13 . ILE A 57 ? 9.69651 4.48171 14.01577 1.000 22.91470 H ? A ? 57 HD13 1
   ATOM 988 N . ARG A 58 ? 4.25508 5.35923 14.26443 1.000 14.15192 N ? A ? 58 N 1
   ATOM 989 CA . ARG A 58 ? 3.27747 6.10510 13.48090 1.000 15.86904 C ? A ? 58 CA 1
   ATOM 990 C . ARG A 58 ? 3.82249 6.48556 12.10937 1.000 10.61337 C ? A ? 58 C 1
   ATOM 991 O . ARG A 58 ? 3.09193 6.45050 11.11617 1.000 12.18226 O ? A ? 58 O 1
   ATOM 992 CB . ARG A 58 ? 2.83981 7.34072 14.25417 1.000 17.89412 C ? A ? 58 CB 1
   ATOM 993 CG . ARG A 58 ? 1.79948 8.13142 13.51392 1.000 20.52937 C ? A ? 58 CG 1
   ATOM 994 CD . ARG A 58 ? 1.19464 9.18992 14.40298 1.000 24.95045 C ? A ? 58 CD 1
   ATOM 995 NE . ARG A 58 ? 0.16975 9.91039 13.65516 1.000 34.26953 N ? A ? 58 NE 1
   ATOM 996 CZ . ARG A 58 ? -0.73012 10.72668 14.19821 1.000 43.12010 C ? A ? 58 CZ 1
   ATOM 997 NH1 . ARG A 58 ? -0.67091 11.09537 15.47450 1.000 40.85400 N ? A ? 58 NH1 1
   ATOM 998 NH2 . ARG A 58 ? -1.72333 11.18495 13.44318 1.000 31.99422 N ? A ? 58 NH2 1
   ATOM 999 H . ARG A 58 ? 4.45725 5.71004 15.02316 1.000 16.95922 H ? A ? 58 H 1
   ATOM 1000 HA . ARG A 58 ? 2.49915 5.54488 13.33501 1.000 19.01976 H ? A ? 58 HA 1
   ATOM 1001 HB2 . ARG A 58 ? 2.46364 7.06677 15.10526 1.000 21.44986 H ? A ? 58 HB2 1
   ATOM 1002 HB3 . ARG A 58 ? 3.60883 7.91355 14.40034 1.000 21.44986 H ? A ? 58 HB3 1
   ATOM 1003 HG2 . ARG A 58 ? 2.20776 8.56811 12.75004 1.000 24.61216 H ? A ? 58 HG2 1
   ATOM 1004 HG3 . ARG A 58 ? 1.09191 7.53774 13.21763 1.000 24.61216 H ? A ? 58 HG3 1
   ATOM 1005 HD2 . ARG A 58 ? 0.78611 8.77566 15.17912 1.000 29.91746 H ? A ? 58 HD2 1
   ATOM 1006 HD3 . ARG A 58 ? 1.87963 9.81680 14.68351 1.000 29.91746 H ? A ? 58 HD3 1
   ATOM 1007 HE . ARG A 58 ? 0.14543 9.79966 12.80267 1.000 41.10035 H ? A ? 58 HE 1
   ATOM 1008 HH11 . ARG A 58 ? -0.03636 10.80483 15.97702 1.000 49.00172 H ? A ? 58 HH11 1
   ATOM 1009 HH12 . ARG A 58 ? -1.26717 11.62435 15.79737 1.000 49.00172 H ? A ? 58 HH12 1
   ATOM 1010 HH21 . ARG A 58 ? -1.77743 10.95323 12.61675 1.000 38.36998 H ? A ? 58 HH21 1
   ATOM 1011 HH22 . ARG A 58 ? -2.31189 11.71319 13.78106 1.000 38.36998 H ? A ? 58 HH22 1
   ATOM 1012 N . GLY A 59 ? 5.10410 6.82893 12.02906 1.000 13.44524 N ? A ? 59 N 1
   ATOM 1013 CA . GLY A 59 ? 5.68336 7.20699 10.75412 1.000 12.22237 C ? A ? 59 CA 1
   ATOM 1014 C . GLY A 59 ? 5.65021 6.08318 9.73299 1.000 11.69384 C ? A ? 59 C 1
   ATOM 1015 O . GLY A 59 ? 5.63007 6.33474 8.52608 1.000 11.43812 O ? A ? 59 O 1
   ATOM 1016 H . GLY A 59 ? 5.65147 6.85013 12.69204 1.000 16.11121 H ? A ? 59 H 1
   ATOM 1017 HA2 . GLY A 59 ? 5.19222 7.96096 10.39189 1.000 14.64376 H ? A ? 59 HA2 1
   ATOM 1018 HA3 . GLY A 59 ? 6.60791 7.46767 10.88882 1.000 14.64376 H ? A ? 59 HA3 1
   ATOM 1019 N . TRP A 60 ? 5.65485 4.83648 10.20451 1.000 10.19452 N ? A ? 60 N 1
   ATOM 1020 CA . TRP A 60 ? 5.50826 3.70192 9.29838 1.000 10.30277 C ? A ? 60 CA 1
   ATOM 1021 C . TRP A 60 ? 4.05891 3.51688 8.87001 1.000 11.45989 C ? A ? 60 C 1
   ATOM 1022 O . TRP A 60 ? 3.78355 3.28802 7.69393 1.000 11.71119 O ? A ? 60 O 1
   ATOM 1023 CB . TRP A 60 ? 5.97880 2.41744 9.97475 1.000 12.69599 C ? A ? 60 CB 1
   ATOM 1024 CG . TRP A 60 ? 7.39496 2.06841 9.72163 1.000 13.68463 C ? A ? 60 CG 1
   ATOM 1025 CD1 . TRP A 60 ? 8.47431 2.87114 9.86677 1.000 11.47071 C ? A ? 60 CD1 1
   ATOM 1026 CD2 . TRP A 60 ? 7.88124 0.80349 9.28650 1.000 13.21751 C ? A ? 60 CD2 1
   ATOM 1027 NE1 . TRP A 60 ? 9.62091 2.19014 9.52377 1.000 11.74290 N ? A ? 60 NE1 1
   ATOM 1028 CE2 . TRP A 60 ? 9.27959 0.91077 9.17393 1.000 12.43788 C ? A ? 60 CE2 1
   ATOM 1029 CE3 . TRP A 60 ? 7.26827 -0.40858 8.96540 1.000 10.73953 C ? A ? 60 CE3 1
   ATOM 1030 CZ2 . TRP A 60 ? 10.07707 -0.14935 8.75631 1.000 12.53252 C ? A ? 60 CZ2 1
   ATOM 1031 CZ3 . TRP A 60 ? 8.07199 -1.47223 8.55751 1.000 11.87501 C ? A ? 60 CZ3 1
   ATOM 1032 CH2 . TRP A 60 ? 9.45659 -1.32326 8.45422 1.000 13.92325 C ? A ? 60 CH2 1
   ATOM 1033 H . TRP A 60 ? 5.74022 4.62446 11.03358 1.000 12.21034 H ? A ? 60 H 1
   ATOM 1034 HA . TRP A 60 ? 6.05789 3.87333 8.51773 1.000 12.34024 H ? A ? 60 HA 1
   ATOM 1035 HB2 . TRP A 60 ? 5.86916 2.51580 10.93350 1.000 15.21210 H ? A ? 60 HB2 1
   ATOM 1036 HB3 . TRP A 60 ? 5.43466 1.68200 9.65232 1.000 15.21210 H ? A ? 60 HB3 1
   ATOM 1037 HD1 . TRP A 60 ? 8.44596 3.75451 10.15615 1.000 13.74177 H ? A ? 60 HD1 1
   ATOM 1038 HE1 . TRP A 60 ? 10.41764 2.51386 9.52845 1.000 14.06839 H ? A ? 60 HE1 1
   ATOM 1039 HE3 . TRP A 60 ? 6.34497 -0.50449 9.02223 1.000 12.86436 H ? A ? 60 HE3 1
   ATOM 1040 HZ2 . TRP A 60 ? 11.00007 -0.05982 8.68596 1.000 15.01595 H ? A ? 60 HZ2 1
   ATOM 1041 HZ3 . TRP A 60 ? 7.68133 -2.29074 8.35176 1.000 14.22693 H ? A ? 60 HZ3 1
   ATOM 1042 HH2 . TRP A 60 ? 9.96918 -2.04581 8.17127 1.000 16.68482 H ? A ? 60 HH2 1
   ATOM 1043 N . ASP A 61 ? 3.12384 3.56183 9.82099 1.000 12.07979 N ? A ? 61 N 1
   ATOM 1044 CA . ASP A 61 ? 1.71706 3.38925 9.46610 1.000 13.55065 C ? A ? 61 CA 1
   ATOM 1045 C . ASP A 61 ? 1.28675 4.41938 8.43837 1.000 15.63107 C ? A ? 61 C 1
   ATOM 1046 O . ASP A 61 ? 0.52716 4.10926 7.51924 1.000 17.40956 O ? A ? 61 O 1
   ATOM 1047 CB . ASP A 61 ? 0.82993 3.47068 10.71077 1.000 18.06462 C ? A ? 61 CB 1
   ATOM 1048 CG . ASP A 61 ? 0.55455 2.11858 11.33377 1.000 15.85710 C ? A ? 61 CG 1
   ATOM 1049 OD1 . ASP A 61 ? 0.67729 1.08008 10.63706 1.000 13.95032 O ? A ? 61 OD1 1
   ATOM 1050 OD2 . ASP A 61 ? 0.20287 2.09039 12.53811 1.000 16.59364 O ? A ? 61 OD2 1
   ATOM 1051 H . ASP A 61 ? 3.27427 3.68782 10.65830 1.000 14.47266 H ? A ? 61 H 1
   ATOM 1052 HA . ASP A 61 ? 1.60226 2.50540 9.08330 1.000 16.23770 H ? A ? 61 HA 1
   ATOM 1053 HB2 . ASP A 61 ? 1.27108 4.02159 11.37619 1.000 21.65446 H ? A ? 61 HB2 1
   ATOM 1054 HB3 . ASP A 61 ? -0.02154 3.86507 10.46512 1.000 21.65446 H ? A ? 61 HB3 1
   ATOM 1055 N . GLU A 62 ? 1.76029 5.64850 8.57212 1.000 13.11669 N ? A ? 62 N 1
   ATOM 1056 CA . GLU A 62 ? 1.41119 6.71023 7.64354 1.000 12.62534 C ? A ? 62 CA 1
   ATOM 1057 C . GLU A 62 ? 2.32369 6.76699 6.43346 1.000 15.43368 C ? A ? 62 C 1
   ATOM 1058 O . GLU A 62 ? 1.88227 7.15340 5.35129 1.000 16.80814 O ? A ? 62 O 1
   ATOM 1059 CB . GLU A 62 ? 1.45705 8.06901 8.33346 1.000 14.83063 C ? A ? 62 CB 1
   ATOM 1060 CG . GLU A 62 ? 0.41929 8.19303 9.38249 1.000 21.00123 C ? A ? 62 CG 1
   ATOM 1061 CD . GLU A 62 ? 0.27415 9.59868 9.87735 1.000 28.19120 C ? A ? 62 CD 1
   ATOM 1062 OE1 . GLU A 62 ? 0.76647 10.55304 9.25650 1.000 25.71590 O ? A ? 62 OE1 1
   ATOM 1063 OE2 . GLU A 62 ? -0.36203 9.76581 10.91787 1.000 29.69586 O ? A ? 62 OE2 1
   ATOM 1064 H . GLU A 62 ? 2.29250 5.89652 9.20047 1.000 15.71695 H ? A ? 62 H 1
   ATOM 1065 HA . GLU A 62 ? 0.50363 6.54766 7.34221 1.000 15.12733 H ? A ? 62 HA 1
   ATOM 1066 HB2 . GLU A 62 ? 2.32530 8.18584 8.74986 1.000 17.77367 H ? A ? 62 HB2 1
   ATOM 1067 HB3 . GLU A 62 ? 1.30833 8.76580 7.67524 1.000 17.77367 H ? A ? 62 HB3 1
   ATOM 1068 HG2 . GLU A 62 ? -0.43487 7.91159 9.01904 1.000 25.17839 H ? A ? 62 HG2 1
   ATOM 1069 HG3 . GLU A 62 ? 0.66052 7.63155 10.13578 1.000 25.17839 H ? A ? 62 HG3 1
   ATOM 1070 N A GLY A 63 ? 3.58658 6.38386 6.58063 0.349 12.90444 N ? A ? 63 N 1
   ATOM 1071 CA A GLY A 63 ? 4.53591 6.48281 5.49168 0.349 14.16848 C ? A ? 63 CA 1
   ATOM 1072 C A GLY A 63 ? 4.46202 5.33260 4.51356 0.349 10.90192 C ? A ? 63 C 1
   ATOM 1073 O A GLY A 63 ? 4.59341 5.52706 3.30492 0.349 10.75096 O ? A ? 63 O 1
   ATOM 1074 H A GLY A 63 ? 3.91603 6.06203 7.30691 0.349 15.46225 H ? A ? 63 H 1
   ATOM 1075 HA2 A GLY A 63 ? 4.37047 7.30388 5.00241 0.349 16.97909 H ? A ? 63 HA2 1
   ATOM 1076 HA3 A GLY A 63 ? 5.43399 6.50857 5.85731 0.349 16.97909 H ? A ? 63 HA3 1
   ATOM 1077 N C GLY A 63 ? 3.58938 6.40158 6.58679 0.651 13.05867 N ? A ? 63 N 1
   ATOM 1078 CA C GLY A 63 ? 4.53599 6.51680 5.50238 0.651 13.83236 C ? A ? 63 CA 1
   ATOM 1079 C C GLY A 63 ? 4.46354 5.37985 4.51384 0.651 10.04774 C ? A ? 63 C 1
   ATOM 1080 O C GLY A 63 ? 4.47742 5.59798 3.30698 0.651 11.62253 O ? A ? 63 O 1
   ATOM 1081 H C GLY A 63 ? 3.92066 6.08338 7.31384 0.651 15.64733 H ? A ? 63 H 1
   ATOM 1082 HA2 C GLY A 63 ? 4.36831 7.34318 5.02292 0.651 16.57574 H ? A ? 63 HA2 1
   ATOM 1083 HA3 C GLY A 63 ? 5.43413 6.54048 5.86801 0.651 16.57574 H ? A ? 63 HA3 1
   ATOM 1084 N A VAL A 64 ? 4.25994 4.11781 5.02760 0.349 9.80496 N ? A ? 64 N 1
   ATOM 1085 CA A VAL A 64 ? 4.15370 2.96110 4.14098 0.349 9.83088 C ? A ? 64 CA 1
   ATOM 1086 C A VAL A 64 ? 2.87715 3.02743 3.31560 0.349 9.65015 C ? A ? 64 C 1
   ATOM 1087 O A VAL A 64 ? 2.82452 2.52002 2.19169 0.349 8.67015 O ? A ? 64 O 1
   ATOM 1088 CB A VAL A 64 ? 4.26808 1.65090 4.94438 0.349 9.23161 C ? A ? 64 CB 1
   ATOM 1089 CG1 A VAL A 64 ? 3.88317 0.45000 4.08447 0.349 6.77922 C ? A ? 64 CG1 1
   ATOM 1090 CG2 A VAL A 64 ? 5.67631 1.50655 5.49003 0.349 10.43734 C ? A ? 64 CG2 1
   ATOM 1091 H A VAL A 64 ? 4.18273 3.94106 5.86569 0.349 11.74287 H ? A ? 64 H 1
   ATOM 1092 HA A VAL A 64 ? 4.89796 2.98044 3.51920 0.349 11.77398 H ? A ? 64 HA 1
   ATOM 1093 HB A VAL A 64 ? 3.65087 1.67756 5.69220 0.349 11.05484 H ? A ? 64 HB 1
   ATOM 1094 HG11 A VAL A 64 ? 4.15434 -0.36327 4.53830 0.349 8.11198 H ? A ? 64 HG11 1
   ATOM 1095 HG12 A VAL A 64 ? 2.92211 0.45075 3.95306 0.349 8.11198 H ? A ? 64 HG12 1
   ATOM 1096 HG13 A VAL A 64 ? 4.33414 0.51713 3.22830 0.349 8.11198 H ? A ? 64 HG13 1
   ATOM 1097 HG21 A VAL A 64 ? 5.74269 0.66926 5.97526 0.349 12.50173 H ? A ? 64 HG21 1
   ATOM 1098 HG22 A VAL A 64 ? 6.30363 1.51073 4.75020 0.349 12.50173 H ? A ? 64 HG22 1
   ATOM 1099 HG23 A VAL A 64 ? 5.86201 2.24950 6.08537 0.349 12.50173 H ? A ? 64 HG23 1
   ATOM 1100 N C VAL A 64 ? 4.39736 4.14412 5.00352 0.651 10.50709 N ? A ? 64 N 1
   ATOM 1101 CA C VAL A 64 ? 4.33169 3.01969 4.07018 0.651 9.19894 C ? A ? 64 CA 1
   ATOM 1102 C C VAL A 64 ? 3.05391 3.07981 3.24403 0.651 10.14095 C ? A ? 64 C 1
   ATOM 1103 O C VAL A 64 ? 3.03708 2.69038 2.06896 0.651 11.48266 O ? A ? 64 O 1
   ATOM 1104 CB C VAL A 64 ? 4.50015 1.68007 4.81347 0.651 8.74555 C ? A ? 64 CB 1
   ATOM 1105 CG1 C VAL A 64 ? 4.42377 0.50327 3.84395 0.651 11.85116 C ? A ? 64 CG1 1
   ATOM 1106 CG2 C VAL A 64 ? 5.81975 1.67995 5.55407 0.651 10.74692 C ? A ? 64 CG2 1
   ATOM 1107 H C VAL A 64 ? 4.38918 3.93610 5.83794 0.651 12.58543 H ? A ? 64 H 1
   ATOM 1108 HA C VAL A 64 ? 5.07558 3.08810 3.45143 0.651 11.01565 H ? A ? 64 HA 1
   ATOM 1109 HB C VAL A 64 ? 3.77864 1.57447 5.45313 0.651 10.47158 H ? A ? 64 HB 1
   ATOM 1110 HG11 C VAL A 64 ? 4.68989 -0.30594 4.30792 0.651 14.19831 H ? A ? 64 HG11 1
   ATOM 1111 HG12 C VAL A 64 ? 3.51223 0.41647 3.52384 0.651 14.19831 H ? A ? 64 HG12 1
   ATOM 1112 HG13 C VAL A 64 ? 5.02179 0.66898 3.09842 0.651 14.19831 H ? A ? 64 HG13 1
   ATOM 1113 HG21 C VAL A 64 ? 5.96562 0.80175 5.93928 0.651 12.87322 H ? A ? 64 HG21 1
   ATOM 1114 HG22 C VAL A 64 ? 6.53211 1.88993 4.93009 0.651 12.87322 H ? A ? 64 HG22 1
   ATOM 1115 HG23 C VAL A 64 ? 5.78771 2.34811 6.25653 0.651 12.87322 H ? A ? 64 HG23 1
   ATOM 1116 N A ALA A 65 ? 1.83006 3.64727 3.84953 0.349 11.70012 N ? A ? 65 N 1
   ATOM 1117 CA A ALA A 65 ? 0.61413 3.84176 3.07085 0.349 12.48569 C ? A ? 65 CA 1
   ATOM 1118 C A ALA A 65 ? 0.85096 4.71454 1.84495 0.349 15.14205 C ? A ? 65 C 1
   ATOM 1119 O A ALA A 65 ? 0.09120 4.62555 0.87639 0.349 14.08226 O ? A ? 65 O 1
   ATOM 1120 CB A ALA A 65 ? -0.47852 4.45274 3.94557 0.349 17.77594 C ? A ? 65 CB 1
   ATOM 1121 H A ALA A 65 ? 1.79835 3.96053 4.64982 0.349 14.01707 H ? A ? 65 H 1
   ATOM 1122 HA A ALA A 65 ? 0.29975 2.97685 2.76426 0.349 14.95975 H ? A ? 65 HA 1
   ATOM 1123 HB1 A ALA A 65 ? -1.27304 4.59239 3.40693 0.349 21.30805 H ? A ? 65 HB1 1
   ATOM 1124 HB2 A ALA A 65 ? -0.67607 3.84457 4.67496 0.349 21.30805 H ? A ? 65 HB2 1
   ATOM 1125 HB3 A ALA A 65 ? -0.16428 5.30028 4.29747 0.349 21.30805 H ? A ? 65 HB3 1
   ATOM 1126 N C ALA A 65 ? 1.97857 3.60762 3.82690 0.651 10.43363 N ? A ? 65 N 1
   ATOM 1127 CA C ALA A 65 ? 0.72306 3.79640 3.10894 0.651 11.52701 C ? A ? 65 CA 1
   ATOM 1128 C C ALA A 65 ? 0.85549 4.71948 1.90335 0.651 14.73592 C ? A ? 65 C 1
   ATOM 1129 O C ALA A 65 ? -0.00230 4.68663 1.01816 0.651 16.07442 O ? A ? 65 O 1
   ATOM 1130 CB C ALA A 65 ? -0.32450 4.35753 4.06972 0.651 14.68862 C ? A ? 65 CB 1
   ATOM 1131 H C ALA A 65 ? 1.95013 3.86732 4.64626 0.651 12.49727 H ? A ? 65 H 1
   ATOM 1132 HA C ALA A 65 ? 0.42489 2.93449 2.77864 0.651 13.80933 H ? A ? 65 HA 1
   ATOM 1133 HB1 C ALA A 65 ? -1.15517 4.49265 3.58741 0.651 17.60326 H ? A ? 65 HB1 1
   ATOM 1134 HB2 C ALA A 65 ? -0.46082 3.72530 4.79263 0.651 17.60326 H ? A ? 65 HB2 1
   ATOM 1135 HB3 C ALA A 65 ? -0.00693 5.20251 4.42476 0.651 17.60326 H ? A ? 65 HB3 1
   ATOM 1136 N . GLN A 66 ? 1.89527 5.53990 1.84877 1.000 10.74075 N ? A ? 66 N 1
   ATOM 1137 CA . GLN A 66 ? 2.16775 6.40288 0.70991 1.000 14.79237 C ? A ? 66 CA 1
   ATOM 1138 C . GLN A 66 ? 2.95011 5.70545 -0.38919 1.000 15.07663 C ? A ? 66 C 1
   ATOM 1139 O . GLN A 66 ? 3.15527 6.29107 -1.45798 1.000 16.29032 O ? A ? 66 O 1
   ATOM 1140 CB . GLN A 66 ? 2.98656 7.63001 1.15203 1.000 12.07492 C ? A ? 66 CB 1
   ATOM 1141 CG . GLN A 66 ? 2.27304 8.56975 2.10045 1.000 14.68894 C ? A ? 66 CG 1
   ATOM 1142 CD . GLN A 66 ? 3.17431 9.67248 2.61791 1.000 12.04981 C ? A ? 66 CD 1
   ATOM 1143 OE1 . GLN A 66 ? 3.94430 10.27777 1.86559 1.000 16.32787 O ? A ? 66 OE1 1
   ATOM 1144 NE2 . GLN A 66 ? 3.07784 9.93842 3.89742 1.000 16.58024 N ? A ? 66 NE2 1
   ATOM 1145 HA . GLN A 66 ? 1.31486 6.69950 0.35566 1.000 17.72776 H ? A ? 66 HA 1
   ATOM 1146 HB2 . GLN A 66 ? 3.78831 7.31836 1.60034 1.000 14.46682 H ? A ? 66 HB2 1
   ATOM 1147 HB3 . GLN A 66 ? 3.22510 8.14022 0.36229 1.000 14.46682 H ? A ? 66 HB3 1
   ATOM 1148 HG2 . GLN A 66 ? 1.52881 8.98339 1.63578 1.000 17.60364 H ? A ? 66 HG2 1
   ATOM 1149 HG3 . GLN A 66 ? 1.94890 8.06446 2.86236 1.000 17.60364 H ? A ? 66 HG3 1
   ATOM 1150 HE21 . GLN A 66 ? 2.52693 9.49650 4.38812 1.000 19.87320 H ? A ? 66 HE21 1
   ATOM 1151 HE22 . GLN A 66 ? 3.56545 10.55489 4.24643 1.000 19.87320 H ? A ? 66 HE22 1
   ATOM 1152 H A GLN A 66 ? 2.45592 5.61621 2.49641 0.349 12.86582 H ? A ? 66 H 1
   ATOM 1153 H C GLN A 66 ? 2.47593 5.61774 2.47834 0.651 12.86582 H ? A ? 66 H 1
   ATOM 1154 N A MET A 67 ? 3.37631 4.47323 -0.16322 0.273 12.06282 N ? A ? 67 N 1
   ATOM 1155 CA A MET A 67 ? 4.21942 3.77449 -1.11134 0.273 12.10246 C ? A ? 67 CA 1
   ATOM 1156 C A MET A 67 ? 3.38538 2.79698 -1.92070 0.273 10.04769 C ? A ? 67 C 1
   ATOM 1157 O A MET A 67 ? 2.39137 2.25117 -1.43764 0.273 13.75697 O ? A ? 67 O 1
   ATOM 1158 CB A MET A 67 ? 5.31539 3.02582 -0.36899 0.273 10.34494 C ? A ? 67 CB 1
   ATOM 1159 CG A MET A 67 ? 6.08225 3.93593 0.55418 0.273 9.41556 C ? A ? 67 CG 1
   ATOM 1160 SD A MET A 67 ? 7.18927 2.98450 1.57118 0.273 8.65943 S ? A ? 67 SD 1
   ATOM 1161 CE A MET A 67 ? 8.26012 2.30300 0.29836 0.273 7.30148 C ? A ? 67 CE 1
   ATOM 1162 H A MET A 67 ? 3.18699 4.01758 0.54116 0.273 14.45230 H ? A ? 67 H 1
   ATOM 1163 HA A MET A 67 ? 4.63515 4.40791 -1.71703 0.273 14.49987 H ? A ? 67 HA 1
   ATOM 1164 HB2 A MET A 67 ? 4.91674 2.31846 0.16168 0.273 12.39084 H ? A ? 67 HB2 1
   ATOM 1165 HB3 A MET A 67 ? 5.93682 2.64871 -1.01125 0.273 12.39084 H ? A ? 67 HB3 1
   ATOM 1166 HG2 A MET A 67 ? 6.60335 4.56598 0.03227 0.273 11.27559 H ? A ? 67 HG2 1
   ATOM 1167 HG3 A MET A 67 ? 5.46397 4.41308 1.12947 0.273 11.27559 H ? A ? 67 HG3 1
   ATOM 1168 HE1 A MET A 67 ? 9.00613 1.85057 0.72224 0.273 8.73870 H ? A ? 67 HE1 1
   ATOM 1169 HE2 A MET A 67 ? 7.75270 1.67347 -0.23747 0.273 8.73870 H ? A ? 67 HE2 1
   ATOM 1170 HE3 A MET A 67 ? 8.58592 3.02578 -0.26052 0.273 8.73870 H ? A ? 67 HE3 1
   ATOM 1171 N B MET A 67 ? 3.41679 4.47878 -0.13102 0.727 11.81000 N ? A ? 67 N 1
   ATOM 1172 CA B MET A 67 ? 4.25266 3.75489 -1.07458 0.727 12.19114 C ? A ? 67 CA 1
   ATOM 1173 C B MET A 67 ? 3.38787 2.81350 -1.91200 0.727 10.15507 C ? A ? 67 C 1
   ATOM 1174 O B MET A 67 ? 2.36616 2.31576 -1.43887 0.727 13.16002 O ? A ? 67 O 1
   ATOM 1175 CB B MET A 67 ? 5.31088 2.95471 -0.30729 0.727 9.89279 C ? A ? 67 CB 1
   ATOM 1176 CG B MET A 67 ? 6.28941 3.82667 0.50636 0.727 12.29043 C ? A ? 67 CG 1
   ATOM 1177 SD B MET A 67 ? 7.60481 2.91703 1.33787 0.727 10.51678 S ? A ? 67 SD 1
   ATOM 1178 CE B MET A 67 ? 8.42429 2.18198 -0.08125 0.727 13.13109 C ? A ? 67 CE 1
   ATOM 1179 H B MET A 67 ? 3.25690 4.04595 0.59471 0.727 14.14891 H ? A ? 67 H 1
   ATOM 1180 HA B MET A 67 ? 4.70556 4.37237 -1.66999 0.727 14.60628 H ? A ? 67 HA 1
   ATOM 1181 HB2 B MET A 67 ? 4.86130 2.35902 0.31233 0.727 11.84826 H ? A ? 67 HB2 1
   ATOM 1182 HB3 B MET A 67 ? 5.83267 2.44011 -0.94277 0.727 11.84826 H ? A ? 67 HB3 1
   ATOM 1183 HG2 B MET A 67 ? 6.70977 4.46090 -0.09526 0.727 14.72543 H ? A ? 67 HG2 1
   ATOM 1184 HG3 B MET A 67 ? 5.78667 4.29922 1.18815 0.727 14.72543 H ? A ? 67 HG3 1
   ATOM 1185 HE1 B MET A 67 ? 9.23194 1.73509 0.21692 0.727 15.73423 H ? A ? 67 HE1 1
   ATOM 1186 HE2 B MET A 67 ? 7.82513 1.54107 -0.49495 0.727 15.73423 H ? A ? 67 HE2 1
   ATOM 1187 HE3 B MET A 67 ? 8.64808 2.88203 -0.71430 0.727 15.73423 H ? A ? 67 HE3 1
   ATOM 1188 N . SER A 68 ? 3.79328 2.61417 -3.16780 1.000 13.46184 N ? A ? 68 N 1
   ATOM 1189 CA . SER A 68 ? 3.20530 1.61545 -4.05818 1.000 12.12775 C ? A ? 68 CA 1
   ATOM 1190 C . SER A 68 ? 4.17116 0.44661 -4.20227 1.000 14.67237 C ? A ? 68 C 1
   ATOM 1191 O . SER A 68 ? 5.36128 0.55118 -3.92650 1.000 12.79554 O ? A ? 68 O 1
   ATOM 1192 CB . SER A 68 ? 2.84857 2.23809 -5.41603 1.000 14.25677 C ? A ? 68 CB 1
   ATOM 1193 OG . SER A 68 ? 3.97322 2.72009 -6.07011 1.000 16.87846 O ? A ? 68 OG 1
   ATOM 1194 HA . SER A 68 ? 2.37840 1.26691 -3.68988 1.000 14.53022 H ? A ? 68 HA 1
   ATOM 1195 HB2 . SER A 68 ? 2.43113 1.56042 -5.97047 1.000 17.08504 H ? A ? 68 HB2 1
   ATOM 1196 HB3 . SER A 68 ? 2.23272 2.97324 -5.27050 1.000 17.08504 H ? A ? 68 HB3 1
   ATOM 1197 HG . SER A 68 ? 4.46242 3.13823 -5.53025 1.000 20.23107 H ? A ? 68 HG 1
   ATOM 1198 H A SER A 68 ? 4.42606 3.06717 -3.53383 0.273 16.13112 H ? A ? 68 H 1
   ATOM 1199 H B SER A 68 ? 4.42854 3.06096 -3.53716 0.727 16.13112 H ? A ? 68 H 1
   ATOM 1200 N . VAL A 69 ? 3.63362 -0.69072 -4.63686 1.000 13.63152 N ? A ? 69 N 1
   ATOM 1201 CA . VAL A 69 ? 4.43598 -1.90390 -4.67459 1.000 11.40371 C ? A ? 69 CA 1
   ATOM 1202 C . VAL A 69 ? 5.61653 -1.70183 -5.59840 1.000 11.86821 C ? A ? 69 C 1
   ATOM 1203 O . VAL A 69 ? 5.47429 -1.21142 -6.72653 1.000 13.65041 O ? A ? 69 O 1
   ATOM 1204 CB . VAL A 69 ? 3.59083 -3.09968 -5.13857 1.000 14.93641 C ? A ? 69 CB 1
   ATOM 1205 CG1 . VAL A 69 ? 4.50466 -4.27685 -5.51183 1.000 19.11688 C ? A ? 69 CG1 1
   ATOM 1206 CG2 . VAL A 69 ? 2.62251 -3.47740 -4.06107 1.000 16.75711 C ? A ? 69 CG2 1
   ATOM 1207 H . VAL A 69 ? 2.82318 -0.78284 -4.90945 1.000 16.33474 H ? A ? 69 H 1
   ATOM 1208 HA . VAL A 69 ? 4.76106 -2.08675 -3.77916 1.000 13.66137 H ? A ? 69 HA 1
   ATOM 1209 HB . VAL A 69 ? 3.08230 -2.86187 -5.92960 1.000 17.90060 H ? A ? 69 HB 1
   ATOM 1210 HG11 . VAL A 69 ? 3.95581 -5.02780 -5.78703 1.000 22.91717 H ? A ? 69 HG11 1
   ATOM 1211 HG12 . VAL A 69 ? 5.08548 -4.00709 -6.24038 1.000 22.91717 H ? A ? 69 HG12 1
   ATOM 1212 HG13 . VAL A 69 ? 5.03625 -4.52161 -4.73826 1.000 22.91717 H ? A ? 69 HG13 1
   ATOM 1213 HG21 . VAL A 69 ? 1.97183 -4.09814 -4.42464 1.000 20.08544 H ? A ? 69 HG21 1
   ATOM 1214 HG22 . VAL A 69 ? 3.10782 -3.89578 -3.33282 1.000 20.08544 H ? A ? 69 HG22 1
   ATOM 1215 HG23 . VAL A 69 ? 2.17513 -2.67732 -3.74387 1.000 20.08544 H ? A ? 69 HG23 1
   ATOM 1216 N A GLY A 70 ? 6.79712 -2.12056 -5.14454 1.000 12.48829 N ? A ? 70 N 1
   ATOM 1217 CA A GLY A 70 ? 8.01576 -1.94609 -5.87049 1.000 14.15706 C ? A ? 70 CA 1
   ATOM 1218 C A GLY A 70 ? 8.77943 -0.69877 -5.50444 1.000 13.76251 C ? A ? 70 C 1
   ATOM 1219 O A GLY A 70 ? 9.96546 -0.59173 -5.83431 1.000 16.12916 O ? A ? 70 O 1
   ATOM 1220 H A GLY A 70 ? 6.90428 -2.52050 -4.39077 1.000 14.96286 H ? A ? 70 H 1
   ATOM 1221 HA2 A GLY A 70 ? 8.59164 -2.70865 -5.70384 1.000 16.96539 H ? A ? 70 HA2 1
   ATOM 1222 HA3 A GLY A 70 ? 7.81277 -1.90478 -6.81811 1.000 16.96539 H ? A ? 70 HA3 1
   ATOM 1223 N B GLY A 70 ? 6.79151 -2.13271 -5.14646 0.000 12.61118 N ? A ? 70 N 1
   ATOM 1224 CA B GLY A 70 ? 8.00633 -1.94489 -5.90193 0.000 14.30540 C ? A ? 70 CA 1
   ATOM 1225 C B GLY A 70 ? 8.74150 -0.66237 -5.59040 0.000 13.77662 C ? A ? 70 C 1
   ATOM 1226 O B GLY A 70 ? 9.87722 -0.48900 -6.04667 0.000 15.57453 O ? A ? 70 O 1
   ATOM 1227 H B GLY A 70 ? 6.90287 -2.53953 -4.39700 0.000 15.11033 H ? A ? 70 H 1
   ATOM 1228 HA2 B GLY A 70 ? 8.60631 -2.68456 -5.71805 0.000 17.14339 H ? A ? 70 HA2 1
   ATOM 1229 HA3 B GLY A 70 ? 7.78922 -1.94188 -6.84732 0.000 17.14339 H ? A ? 70 HA3 1
   ATOM 1230 N . GLN A 71 ? 8.13212 0.24048 -4.82818 1.000 11.96110 N ? A ? 71 N 1
   ATOM 1231 CA . GLN A 71 ? 8.77873 1.49252 -4.48657 1.000 13.45128 C ? A ? 71 CA 1
   ATOM 1232 C . GLN A 71 ? 9.81500 1.26678 -3.40232 1.000 11.40857 C ? A ? 71 C 1
   ATOM 1233 O . GLN A 71 ? 9.62463 0.45318 -2.48830 1.000 11.53476 O ? A ? 71 O 1
   ATOM 1234 CB . GLN A 71 ? 7.74411 2.49090 -3.99350 1.000 13.72340 C ? A ? 71 CB 1
   ATOM 1235 CG . GLN A 71 ? 8.33367 3.88470 -3.80487 1.000 14.82170 C ? A ? 71 CG 1
   ATOM 1236 CD . GLN A 71 ? 7.27601 4.90818 -3.48784 1.000 13.65231 C ? A ? 71 CD 1
   ATOM 1237 OE1 . GLN A 71 ? 6.09629 4.63727 -3.50029 1.000 15.69241 O ? A ? 71 OE1 1
   ATOM 1238 NE2 . GLN A 71 ? 7.72583 6.13952 -3.18319 1.000 16.26927 N ? A ? 71 NE2 1
   ATOM 1239 HA . GLN A 71 ? 9.21896 1.85682 -5.27040 1.000 16.11845 H ? A ? 71 HA 1
   ATOM 1240 HB2 . GLN A 71 ? 7.02583 2.55116 -4.64262 1.000 16.44499 H ? A ? 71 HB2 1
   ATOM 1241 HB3 . GLN A 71 ? 7.39515 2.19150 -3.13940 1.000 16.44499 H ? A ? 71 HB3 1
   ATOM 1242 HG2 . GLN A 71 ? 8.96698 3.86616 -3.07038 1.000 17.76296 H ? A ? 71 HG2 1
   ATOM 1243 HG3 . GLN A 71 ? 8.78115 4.15476 -4.62202 1.000 17.76296 H ? A ? 71 HG3 1
   ATOM 1244 HE21 . GLN A 71 ? 8.57076 6.29972 -3.17861 1.000 19.50004 H ? A ? 71 HE21 1
   ATOM 1245 HE22 . GLN A 71 ? 7.16832 6.76614 -2.99310 1.000 19.50004 H ? A ? 71 HE22 1
   ATOM 1246 H A GLN A 71 ? 7.31869 0.17544 -4.55669 1.000 14.33023 H ? A ? 71 H 1
   ATOM 1247 H B GLN A 71 ? 7.34339 0.14774 -4.49817 0.000 14.33023 H ? A ? 71 H 1
   ATOM 1248 N . ARG A 72 ? 10.91608 1.99971 -3.50400 1.000 11.92684 N ? A ? 72 N 1
   ATOM 1249 CA . ARG A 72 ? 11.90912 2.10373 -2.44980 1.000 11.71542 C ? A ? 72 CA 1
   ATOM 1250 C . ARG A 72 ? 11.96174 3.57320 -2.04960 1.000 11.76540 C ? A ? 72 C 1
   ATOM 1251 O . ARG A 72 ? 12.00804 4.44675 -2.91755 1.000 14.08669 O ? A ? 72 O 1
   ATOM 1252 CB . ARG A 72 ? 13.26797 1.64066 -2.94457 1.000 14.44452 C ? A ? 72 CB 1
   ATOM 1253 CG . ARG A 72 ? 14.27533 1.51525 -1.85621 1.000 14.78520 C ? A ? 72 CG 1
   ATOM 1254 CD . ARG A 72 ? 15.58480 1.03191 -2.40633 1.000 17.47049 C ? A ? 72 CD 1
   ATOM 1255 NE . ARG A 72 ? 16.56868 0.85366 -1.34853 1.000 16.52651 N ? A ? 72 NE 1
   ATOM 1256 CZ . ARG A 72 ? 17.75951 0.30360 -1.53312 1.000 24.56560 C ? A ? 72 CZ 1
   ATOM 1257 NH1 . ARG A 72 ? 18.16073 -0.09818 -2.73446 1.000 26.55215 N ? A ? 72 NH1 1
   ATOM 1258 NH2 . ARG A 72 ? 18.56352 0.13741 -0.48900 1.000 26.32231 N ? A ? 72 NH2 1
   ATOM 1259 H . ARG A 72 ? 11.11520 2.46220 -4.20117 1.000 14.28912 H ? A ? 72 H 1
   ATOM 1260 HA . ARG A 72 ? 11.67486 1.55827 -1.68267 1.000 14.03542 H ? A ? 72 HA 1
   ATOM 1261 HB2 . ARG A 72 ? 13.17032 0.77096 -3.36290 1.000 17.31034 H ? A ? 72 HB2 1
   ATOM 1262 HB3 . ARG A 72 ? 13.60320 2.28317 -3.58932 1.000 17.31034 H ? A ? 72 HB3 1
   ATOM 1263 HG2 . ARG A 72 ? 14.41498 2.38071 -1.44102 1.000 17.71915 H ? A ? 72 HG2 1
   ATOM 1264 HG3 . ARG A 72 ? 13.96294 0.87705 -1.19589 1.000 17.71915 H ? A ? 72 HG3 1
   ATOM 1265 HD2 . ARG A 72 ? 15.45294 0.17869 -2.84852 1.000 20.94150 H ? A ? 72 HD2 1
   ATOM 1266 HD3 . ARG A 72 ? 15.92880 1.68309 -3.03762 1.000 20.94150 H ? A ? 72 HD3 1
   ATOM 1267 HE . ARG A 72 ? 16.36485 1.12123 -0.55704 1.000 19.80872 H ? A ? 72 HE 1
   ATOM 1268 HH11 . ARG A 72 ? 17.64302 -0.00353 -3.41463 1.000 31.83949 H ? A ? 72 HH11 1
   ATOM 1269 HH12 . ARG A 72 ? 18.93811 -0.45286 -2.83183 1.000 31.83949 H ? A ? 72 HH12 1
   ATOM 1270 HH21 . ARG A 72 ? 18.30851 0.38570 0.29389 1.000 31.56369 H ? A ? 72 HH21 1
   ATOM 1271 HH22 . ARG A 72 ? 19.33909 -0.21849 -0.59586 1.000 31.56369 H ? A ? 72 HH22 1
   ATOM 1272 N . ALA A 73 ? 11.90344 3.84871 -0.75372 1.000 9.01402 N ? A ? 73 N 1
   ATOM 1273 CA . ALA A 73 ? 11.81714 5.21209 -0.24952 1.000 10.06400 C ? A ? 73 CA 1
   ATOM 1274 C . ALA A 73 ? 12.53356 5.32452 1.07843 1.000 12.03193 C ? A ? 73 C 1
   ATOM 1275 O . ALA A 73 ? 12.62079 4.36673 1.84301 1.000 13.92231 O ? A ? 73 O 1
   ATOM 1276 CB . ALA A 73 ? 10.37309 5.59888 -0.04420 1.000 11.14000 C ? A ? 73 CB 1
   ATOM 1277 H . ALA A 73 ? 11.91243 3.25234 -0.13416 1.000 10.79374 H ? A ? 73 H 1
   ATOM 1278 HA . ALA A 73 ? 12.24883 5.81022 -0.87943 1.000 12.05372 H ? A ? 73 HA 1
   ATOM 1279 HB1 . ALA A 73 ? 10.33558 6.49573 0.32343 1.000 13.34491 H ? A ? 73 HB1 1
   ATOM 1280 HB2 . ALA A 73 ? 9.91445 5.57214 -0.89851 1.000 13.34491 H ? A ? 73 HB2 1
   ATOM 1281 HB3 . ALA A 73 ? 9.96260 4.97162 0.57138 1.000 13.34491 H ? A ? 73 HB3 1
   ATOM 1282 N . LYS A 74 ? 12.98707 6.53903 1.37588 1.000 13.83695 N ? A ? 74 N 1
   ATOM 1283 CA . LYS A 74 ? 13.47406 6.87231 2.70268 1.000 14.75544 C ? A ? 74 CA 1
   ATOM 1284 C . LYS A 74 ? 12.29367 7.45509 3.47053 1.000 13.28113 C ? A ? 74 C 1
   ATOM 1285 O . LYS A 74 ? 11.64902 8.39779 3.00387 1.000 16.86281 O ? A ? 74 O 1
   ATOM 1286 CB . LYS A 74 ? 14.59740 7.90491 2.58162 1.000 27.24075 C ? A ? 74 CB 1
   ATOM 1287 CG . LYS A 74 ? 15.43048 8.03732 3.82296 1.000 30.64360 C ? A ? 74 CG 1
   ATOM 1288 CD . LYS A 74 ? 16.79359 8.62407 3.49159 1.000 35.76234 C ? A ? 74 CD 1
   ATOM 1289 CE . LYS A 74 ? 16.67412 9.93539 2.72413 1.000 22.16791 C ? A ? 74 CE 1
   ATOM 1290 NZ . LYS A 74 ? 17.97958 10.66355 2.70448 1.000 23.85233 N ? A ? 74 NZ 1
   ATOM 1291 H . LYS A 74 ? 13.02167 7.19198 0.81725 1.000 16.58126 H ? A ? 74 H 1
   ATOM 1292 HA . LYS A 74 ? 13.82360 6.09933 3.17302 1.000 17.68344 H ? A ? 74 HA 1
   ATOM 1293 HB2 . LYS A 74 ? 15.18565 7.64259 1.85633 1.000 32.66581 H ? A ? 74 HB2 1
   ATOM 1294 HB3 . LYS A 74 ? 14.20536 8.77203 2.39374 1.000 32.66581 H ? A ? 74 HB3 1
   ATOM 1295 HG2 . LYS A 74 ? 14.98520 8.62670 4.45166 1.000 36.74924 H ? A ? 74 HG2 1
   ATOM 1296 HG3 . LYS A 74 ? 15.55958 7.16283 4.22234 1.000 36.74924 H ? A ? 74 HG3 1
   ATOM 1297 HD2 . LYS A 74 ? 17.27638 8.79711 4.31492 1.000 42.89172 H ? A ? 74 HD2 1
   ATOM 1298 HD3 . LYS A 74 ? 17.28803 7.99522 2.94297 1.000 42.89172 H ? A ? 74 HD3 1
   ATOM 1299 HE2 . LYS A 74 ? 16.41088 9.75146 1.80883 1.000 26.57841 H ? A ? 74 HE2 1
   ATOM 1300 HE3 . LYS A 74 ? 16.01281 10.50139 3.15217 1.000 26.57841 H ? A ? 74 HE3 1
   ATOM 1301 HZ1 . LYS A 74 ? 17.88144 11.47400 3.05892 1.000 28.59971 H ? A ? 74 HZ1 1
   ATOM 1302 HZ2 . LYS A 74 ? 18.58612 10.21378 3.17557 1.000 28.59971 H ? A ? 74 HZ2 1
   ATOM 1303 HZ3 . LYS A 74 ? 18.26864 10.74765 1.86694 1.000 28.59971 H ? A ? 74 HZ3 1
   ATOM 1304 N . LEU A 75 ? 11.99142 6.87416 4.62253 1.000 12.72158 N ? A ? 75 N 1
   ATOM 1305 CA . LEU A 75 ? 10.94894 7.34882 5.52424 1.000 12.64746 C ? A ? 75 CA 1
   ATOM 1306 C . LEU A 75 ? 11.66095 8.05219 6.66725 1.000 12.67761 C ? A ? 75 C 1
   ATOM 1307 O . LEU A 75 ? 12.34931 7.40292 7.45554 1.000 15.10349 O ? A ? 75 O 1
   ATOM 1308 CB . LEU A 75 ? 10.09736 6.20074 6.05883 1.000 14.21933 C ? A ? 75 CB 1
   ATOM 1309 CG . LEU A 75 ? 8.88590 5.77915 5.22201 1.000 18.74919 C ? A ? 75 CG 1
   ATOM 1310 CD1 . LEU A 75 ? 9.23529 5.32298 3.84359 1.000 17.10567 C ? A ? 75 CD1 1
   ATOM 1311 CD2 . LEU A 75 ? 8.13678 4.67829 5.99223 1.000 18.82772 C ? A ? 75 CD2 1
   ATOM 1312 H . LEU A 75 ? 12.39312 6.17316 4.91719 1.000 15.24281 H ? A ? 75 H 1
   ATOM 1313 HA . LEU A 75 ? 10.36076 7.96164 5.05584 1.000 15.15387 H ? A ? 75 HA 1
   ATOM 1314 HB2 . LEU A 75 ? 10.66784 5.42067 6.14208 1.000 17.04011 H ? A ? 75 HB2 1
   ATOM 1315 HB3 . LEU A 75 ? 9.76115 6.46047 6.93084 1.000 17.04011 H ? A ? 75 HB3 1
   ATOM 1316 HG . LEU A 75 ? 8.31709 6.55317 5.08697 1.000 22.47595 H ? A ? 75 HG 1
   ATOM 1317 HD11 . LEU A 75 ? 8.42659 5.03561 3.39157 1.000 20.50372 H ? A ? 75 HD11 1
   ATOM 1318 HD12 . LEU A 75 ? 9.64033 6.05999 3.36021 1.000 20.50372 H ? A ? 75 HD12 1
   ATOM 1319 HD13 . LEU A 75 ? 9.86060 4.58394 3.90452 1.000 20.50372 H ? A ? 75 HD13 1
   ATOM 1320 HD21 . LEU A 75 ? 7.38050 4.38104 5.46253 1.000 22.57018 H ? A ? 75 HD21 1
   ATOM 1321 HD22 . LEU A 75 ? 8.74142 3.93658 6.15091 1.000 22.57018 H ? A ? 75 HD22 1
   ATOM 1322 HD23 . LEU A 75 ? 7.82706 5.03925 6.83762 1.000 22.57018 H ? A ? 75 HD23 1
   ATOM 1323 N . VAL A 76 ? 11.52149 9.36741 6.73935 1.000 14.08617 N ? A ? 76 N 1
   ATOM 1324 CA . VAL A 76 ? 12.17373 10.15319 7.77656 1.000 15.57510 C ? A ? 76 CA 1
   ATOM 1325 C . VAL A 76 ? 11.11667 10.47952 8.81885 1.000 14.11698 C ? A ? 76 C 1
   ATOM 1326 O . VAL A 76 ? 10.15222 11.20039 8.55068 1.000 14.81007 O ? A ? 76 O 1
   ATOM 1327 CB . VAL A 76 ? 12.82807 11.41035 7.20631 1.000 17.26128 C ? A ? 76 CB 1
   ATOM 1328 CG1 . VAL A 76 ? 13.64178 12.08343 8.29720 1.000 18.11410 C ? A ? 76 CG1 1
   ATOM 1329 CG2 . VAL A 76 ? 13.71780 11.04066 6.02689 1.000 21.25568 C ? A ? 76 CG2 1
   ATOM 1330 H . VAL A 76 ? 11.04853 9.83299 6.19240 1.000 16.88032 H ? A ? 76 H 1
   ATOM 1331 HA . VAL A 76 ? 12.86954 9.62728 8.20103 1.000 18.66703 H ? A ? 76 HA 1
   ATOM 1332 HB . VAL A 76 ? 12.15002 12.02842 6.89147 1.000 20.69045 H ? A ? 76 HB 1
   ATOM 1333 HG11 . VAL A 76 ? 14.11871 12.83714 7.91593 1.000 21.71384 H ? A ? 76 HG11 1
   ATOM 1334 HG12 . VAL A 76 ? 13.04183 12.39029 8.99490 1.000 21.71384 H ? A ? 76 HG12 1
   ATOM 1335 HG13 . VAL A 76 ? 14.27255 11.44285 8.66146 1.000 21.71384 H ? A ? 76 HG13 1
   ATOM 1336 HG21 . VAL A 76 ? 14.16756 11.83883 5.70822 1.000 25.48373 H ? A ? 76 HG21 1
   ATOM 1337 HG22 . VAL A 76 ? 14.37197 10.38617 6.31775 1.000 25.48373 H ? A ? 76 HG22 1
   ATOM 1338 HG23 . VAL A 76 ? 13.16735 10.66702 5.32099 1.000 25.48373 H ? A ? 76 HG23 1
   ATOM 1339 N . CYS A 77 ? 11.28235 9.90611 9.98845 1.000 13.76973 N ? A ? 77 N 1
   ATOM 1340 CA . CYS A 77 ? 10.25999 9.90822 11.01956 1.000 15.13919 C ? A ? 77 CA 1
   ATOM 1341 C . CYS A 77 ? 10.73886 10.79088 12.15505 1.000 14.21723 C ? A ? 77 C 1
   ATOM 1342 O . CYS A 77 ? 11.70181 10.44760 12.84342 1.000 15.13754 O ? A ? 77 O 1
   ATOM 1343 CB . CYS A 77 ? 10.00548 8.50479 11.54362 1.000 14.29752 C ? A ? 77 CB 1
   ATOM 1344 SG . CYS A 77 ? 9.51165 7.29896 10.28637 1.000 13.56693 S ? A ? 77 SG 1
   ATOM 1345 H . CYS A 77 ? 12.00097 9.49451 10.22030 1.000 16.50060 H ? A ? 77 H 1
   ATOM 1346 HA . CYS A 77 ? 9.43904 10.26501 10.64587 1.000 18.14395 H ? A ? 77 HA 1
   ATOM 1347 HB2 . CYS A 77 ? 10.82049 8.17838 11.95605 1.000 17.13394 H ? A ? 77 HB2 1
   ATOM 1348 HB3 . CYS A 77 ? 9.29436 8.54697 12.20198 1.000 17.13394 H ? A ? 77 HB3 1
   ATOM 1349 HG . CYS A 77 ? 9.27931 6.25005 10.82099 1.000 16.25724 H ? A ? 77 HG 1
   ATOM 1350 N . SER A 78 ? 10.06896 11.91964 12.33399 1.000 18.76356 N ? A ? 78 N 1
   ATOM 1351 CA . SER A 78 ? 10.39872 12.81015 13.43072 1.000 20.41457 C ? A ? 78 CA 1
   ATOM 1352 C . SER A 78 ? 10.11780 12.10634 14.75173 1.000 18.77445 C ? A ? 78 C 1
   ATOM 1353 O . SER A 78 ? 9.40453 11.09847 14.79967 1.000 16.57622 O ? A ? 78 O 1
   ATOM 1354 CB . SER A 78 ? 9.52063 14.04484 13.35791 1.000 20.85342 C ? A ? 78 CB 1
   ATOM 1355 OG . SER A 78 ? 8.19788 13.70439 13.73054 1.000 23.91940 O ? A ? 78 OG 1
   ATOM 1356 H . SER A 78 ? 9.42230 12.19048 11.83591 1.000 22.49319 H ? A ? 78 H 1
   ATOM 1357 HA . SER A 78 ? 11.33255 13.06840 13.38412 1.000 24.47440 H ? A ? 78 HA 1
   ATOM 1358 HB2 . SER A 78 ? 9.86254 14.71874 13.96606 1.000 25.00102 H ? A ? 78 HB2 1
   ATOM 1359 HB3 . SER A 78 ? 9.52098 14.38643 12.45004 1.000 25.00102 H ? A ? 78 HB3 1
   ATOM 1360 HG . SER A 78 ? 7.66898 14.31625 13.50364 1.000 28.68019 H ? A ? 78 HG 1
   ATOM 1361 N . PRO A 79 ? 10.65438 12.61509 15.86052 1.000 24.63565 N ? A ? 79 N 1
   ATOM 1362 CA . PRO A 79 ? 10.44244 11.89440 17.12077 1.000 16.87420 C ? A ? 79 CA 1
   ATOM 1363 C . PRO A 79 ? 8.97427 11.72241 17.48146 1.000 18.54212 C ? A ? 79 C 1
   ATOM 1364 O . PRO A 79 ? 8.61574 10.68294 18.02450 1.000 15.93413 O ? A ? 79 O 1
   ATOM 1365 CB . PRO A 79 ? 11.24314 12.69840 18.15974 1.000 18.97643 C ? A ? 79 CB 1
   ATOM 1366 CG . PRO A 79 ? 12.27390 13.44343 17.33837 1.000 28.84632 C ? A ? 79 CG 1
   ATOM 1367 CD . PRO A 79 ? 11.60313 13.73275 16.00630 1.000 24.44734 C ? A ? 79 CD 1
   ATOM 1368 HA . PRO A 79 ? 10.84901 11.01526 17.06862 1.000 20.22595 H ? A ? 79 HA 1
   ATOM 1369 HB2 . PRO A 79 ? 10.65777 13.31364 18.62848 1.000 22.74863 H ? A ? 79 HB2 1
   ATOM 1370 HB3 . PRO A 79 ? 11.66721 12.09720 18.79189 1.000 22.74863 H ? A ? 79 HB3 1
   ATOM 1371 HG2 . PRO A 79 ? 12.51793 14.26786 17.78744 1.000 34.59250 H ? A ? 79 HG2 1
   ATOM 1372 HG3 . PRO A 79 ? 13.05935 12.88777 17.21506 1.000 34.59250 H ? A ? 79 HG3 1
   ATOM 1373 HD2 . PRO A 79 ? 11.13568 14.58231 16.03161 1.000 29.31373 H ? A ? 79 HD2 1
   ATOM 1374 HD3 . PRO A 79 ? 12.25171 13.73232 15.28502 1.000 29.31373 H ? A ? 79 HD3 1
   ATOM 1375 N . ASP A 80 ? 8.10269 12.67957 17.15495 1.000 18.17926 N ? A ? 80 N 1
   ATOM 1376 CA . ASP A 80 ? 6.68605 12.51784 17.47356 1.000 22.83215 C ? A ? 80 CA 1
   ATOM 1377 C . ASP A 80 ? 6.06809 11.32618 16.74561 1.000 29.44540 C ? A ? 80 C 1
   ATOM 1378 O . ASP A 80 ? 5.06772 10.76362 17.21288 1.000 20.63962 O ? A ? 80 O 1
   ATOM 1379 CB . ASP A 80 ? 5.90403 13.78941 17.12246 1.000 26.91970 C ? A ? 80 CB 1
   ATOM 1380 CG . ASP A 80 ? 6.19263 14.94738 18.06086 1.000 40.87567 C ? A ? 80 CG 1
   ATOM 1381 OD1 . ASP A 80 ? 6.57159 14.70594 19.22431 1.000 34.49836 O ? A ? 80 OD1 1
   ATOM 1382 OD2 . ASP A 80 ? 6.01971 16.10765 17.62960 1.000 42.52593 O ? A ? 80 OD2 1
   ATOM 1383 H . ASP A 80 ? 8.30220 13.41559 16.75737 1.000 21.79203 H ? A ? 80 H 1
   ATOM 1384 HA . ASP A 80 ? 6.61379 12.36722 18.42906 1.000 27.37550 H ? A ? 80 HA 1
   ATOM 1385 HB2 . ASP A 80 ? 6.14249 14.06718 16.22419 1.000 32.28056 H ? A ? 80 HB2 1
   ATOM 1386 HB3 . ASP A 80 ? 4.95437 13.59743 17.16925 1.000 32.28056 H ? A ? 80 HB3 1
   ATOM 1387 N . TYR A 81 ? 6.62181 10.94976 15.58877 1.000 18.48370 N ? A ? 81 N 1
   ATOM 1388 CA . TYR A 81 ? 6.13670 9.81940 14.79905 1.000 17.92330 C ? A ? 81 CA 1
   ATOM 1389 C . TYR A 81 ? 7.00632 8.57954 14.97499 1.000 15.94372 C ? A ? 81 C 1
   ATOM 1390 O . TYR A 81 ? 6.87918 7.60873 14.20998 1.000 15.68181 O ? A ? 81 O 1
   ATOM 1391 CB . TYR A 81 ? 6.02896 10.23676 13.32638 1.000 18.93766 C ? A ? 81 CB 1
   ATOM 1392 CG . TYR A 81 ? 4.75446 11.00742 13.06567 1.000 18.90541 C ? A ? 81 CG 1
   ATOM 1393 CD1 . TYR A 81 ? 4.36307 12.03322 13.91288 1.000 37.32910 C ? A ? 81 CD1 1
   ATOM 1394 CD2 . TYR A 81 ? 3.92977 10.70217 11.98738 1.000 20.64109 C ? A ? 81 CD2 1
   ATOM 1395 CE1 . TYR A 81 ? 3.19369 12.73293 13.69636 1.000 39.16375 C ? A ? 81 CE1 1
   ATOM 1396 CE2 . TYR A 81 ? 2.75674 11.39814 11.76283 1.000 25.65085 C ? A ? 81 CE2 1
   ATOM 1397 CZ . TYR A 81 ? 2.39957 12.41534 12.62964 1.000 25.79727 C ? A ? 81 CZ 1
   ATOM 1398 OH . TYR A 81 ? 1.23743 13.12765 12.42605 1.000 41.91175 O ? A ? 81 OH 1
   ATOM 1399 H . TYR A 81 ? 7.29748 11.34576 15.23343 1.000 22.15735 H ? A ? 81 H 1
   ATOM 1400 HA . TYR A 81 ? 5.24439 9.57241 15.08833 1.000 21.48488 H ? A ? 81 HA 1
   ATOM 1401 HB2 . TYR A 81 ? 6.78209 10.80344 13.09711 1.000 22.70211 H ? A ? 81 HB2 1
   ATOM 1402 HB3 . TYR A 81 ? 6.02772 9.44423 12.76709 1.000 22.70211 H ? A ? 81 HB3 1
   ATOM 1403 HD1 . TYR A 81 ? 4.89872 12.25362 14.64048 1.000 44.77184 H ? A ? 81 HD1 1
   ATOM 1404 HD2 . TYR A 81 ? 4.17226 10.01718 11.40696 1.000 24.74623 H ? A ? 81 HD2 1
   ATOM 1405 HE1 . TYR A 81 ? 2.94646 13.41841 14.27419 1.000 46.97342 H ? A ? 81 HE1 1
   ATOM 1406 HE2 . TYR A 81 ? 2.21438 11.18517 11.03799 1.000 30.75794 H ? A ? 81 HE2 1
   ATOM 1407 HH . TYR A 81 ? 0.89052 12.90807 11.69323 1.000 50.27102 H ? A ? 81 HH 1
   ATOM 1408 N . ALA A 82 ? 7.87413 8.58605 15.98180 1.000 18.20714 N ? A ? 82 N 1
   ATOM 1409 CA . ALA A 82 ? 8.77321 7.47475 16.26464 1.000 17.48829 C ? A ? 82 CA 1
   ATOM 1410 C . ALA A 82 ? 8.63765 7.16156 17.74875 1.000 26.70883 C ? A ? 82 C 1
   ATOM 1411 O . ALA A 82 ? 7.54128 6.84715 18.21805 1.000 22.97567 O ? A ? 82 O 1
   ATOM 1412 CB . ALA A 82 ? 10.19889 7.86232 15.85280 1.000 14.57211 C ? A ? 82 CB 1
   ATOM 1413 H . ALA A 82 ? 7.96392 9.24153 16.53124 1.000 21.82548 H ? A ? 82 H 1
   ATOM 1414 HA . ALA A 82 ? 8.56421 6.67134 15.76289 1.000 20.96286 H ? A ? 82 HA 1
   ATOM 1415 HB1 . ALA A 82 ? 10.79389 7.11862 16.03656 1.000 17.46345 H ? A ? 82 HB1 1
   ATOM 1416 HB2 . ALA A 82 ? 10.20898 8.06758 14.90482 1.000 17.46345 H ? A ? 82 HB2 1
   ATOM 1417 HB3 . ALA A 82 ? 10.47444 8.64018 16.36261 1.000 17.46345 H ? A ? 82 HB3 1
   ATOM 1418 N . TYR A 83 ? 9.71992 7.27200 18.50833 1.000 18.75601 N ? A ? 83 N 1
   ATOM 1419 CA . TYR A 83 ? 9.68220 6.88910 19.91398 1.000 20.48841 C ? A ? 83 CA 1
   ATOM 1420 C . TYR A 83 ? 9.66142 8.07259 20.86634 1.000 17.44724 C ? A ? 83 C 1
   ATOM 1421 O . TYR A 83 ? 9.77851 7.87039 22.08106 1.000 23.03058 O ? A ? 83 O 1
   ATOM 1422 CB . TYR A 83 ? 10.83779 5.94661 20.24337 1.000 25.60140 C ? A ? 83 CB 1
   ATOM 1423 CG . TYR A 83 ? 10.75128 4.61313 19.54617 1.000 22.91302 C ? A ? 83 CG 1
   ATOM 1424 CD1 . TYR A 83 ? 10.02750 3.56589 20.09168 1.000 28.06596 C ? A ? 83 CD1 1
   ATOM 1425 CD2 . TYR A 83 ? 11.40490 4.40000 18.33923 1.000 19.65102 C ? A ? 83 CD2 1
   ATOM 1426 CE1 . TYR A 83 ? 9.95812 2.33794 19.45936 1.000 26.30583 C ? A ? 83 CE1 1
   ATOM 1427 CE2 . TYR A 83 ? 11.34187 3.18649 17.70568 1.000 17.06473 C ? A ? 83 CE2 1
   ATOM 1428 CZ . TYR A 83 ? 10.62312 2.15803 18.25693 1.000 28.34906 C ? A ? 83 CZ 1
   ATOM 1429 OH . TYR A 83 ? 10.56978 0.95496 17.59936 1.000 26.06921 O ? A ? 83 OH 1
   ATOM 1430 H . TYR A 83 ? 10.48136 7.56354 18.23482 1.000 22.48413 H ? A ? 83 H 1
   ATOM 1431 HA . TYR A 83 ? 8.85881 6.39919 20.06537 1.000 24.56301 H ? A ? 83 HA 1
   ATOM 1432 HB2 . TYR A 83 ? 11.66960 6.36749 19.97529 1.000 30.69859 H ? A ? 83 HB2 1
   ATOM 1433 HB3 . TYR A 83 ? 10.84262 5.78125 21.19916 1.000 30.69859 H ? A ? 83 HB3 1
   ATOM 1434 HD1 . TYR A 83 ? 9.58022 3.69067 20.89745 1.000 33.65607 H ? A ? 83 HD1 1
   ATOM 1435 HD2 . TYR A 83 ? 11.89316 5.09196 17.95491 1.000 23.55814 H ? A ? 83 HD2 1
   ATOM 1436 HE1 . TYR A 83 ? 9.47104 1.64125 19.83657 1.000 31.54391 H ? A ? 83 HE1 1
   ATOM 1437 HE2 . TYR A 83 ? 11.78803 3.06053 16.89947 1.000 20.45459 H ? A ? 83 HE2 1
   ATOM 1438 HH . TYR A 83 ? 9.78720 0.65044 17.62051 1.000 31.25997 H ? A ? 83 HH 1
   ATOM 1439 N A GLY A 84 ? 9.53103 9.29059 20.35789 0.633 18.16858 N ? A ? 84 N 1
   ATOM 1440 CA A GLY A 84 ? 9.42773 10.43032 21.25449 0.633 25.74095 C ? A ? 84 CA 1
   ATOM 1441 C A GLY A 84 ? 10.58933 10.50036 22.23783 0.633 34.64210 C ? A ? 84 C 1
   ATOM 1442 O A GLY A 84 ? 11.58804 9.79272 22.13401 0.633 25.31726 O ? A ? 84 O 1
   ATOM 1443 H A GLY A 84 ? 9.50047 9.47917 19.51938 0.633 21.77922 H ? A ? 84 H 1
   ATOM 1444 HA2 A GLY A 84 ? 9.41782 11.24876 20.73394 0.633 30.86606 H ? A ? 84 HA2 1
   ATOM 1445 HA3 A GLY A 84 ? 8.60229 10.36762 21.76007 0.633 30.86606 H ? A ? 84 HA3 1
   ATOM 1446 N B GLY A 84 ? 9.55271 9.29421 20.35601 0.367 17.46175 N ? A ? 84 N 1
   ATOM 1447 CA B GLY A 84 ? 9.40469 10.43742 21.23693 0.367 25.96159 C ? A ? 84 CA 1
   ATOM 1448 C B GLY A 84 ? 10.58491 10.63621 22.17834 0.367 32.31034 C ? A ? 84 C 1
   ATOM 1449 O B GLY A 84 ? 11.70326 10.17431 21.94665 0.367 20.90746 O ? A ? 84 O 1
   ATOM 1450 H B GLY A 84 ? 9.56181 9.48295 19.51702 0.367 20.93101 H ? A ? 84 H 1
   ATOM 1451 HA2 B GLY A 84 ? 9.30924 11.24015 20.70082 0.367 31.13082 H ? A ? 84 HA2 1
   ATOM 1452 HA3 B GLY A 84 ? 8.60662 10.32082 21.77581 0.367 31.13082 H ? A ? 84 HA3 1
   ATOM 1453 N A SER A 85 ? 10.42665 11.39319 23.21675 0.633 21.81939 N ? A ? 85 N 1
   ATOM 1454 CA A SER A 85 ? 11.47836 11.60449 24.20247 0.633 19.30087 C ? A ? 85 CA 1
   ATOM 1455 C A SER A 85 ? 11.78630 10.35433 25.01746 0.633 19.39445 C ? A ? 85 C 1
   ATOM 1456 O A SER A 85 ? 12.83220 10.30721 25.66820 0.633 25.44828 O ? A ? 85 O 1
   ATOM 1457 CB A SER A 85 ? 11.10210 12.75666 25.13944 0.633 28.79535 C ? A ? 85 CB 1
   ATOM 1458 OG A SER A 85 ? 9.89236 12.48452 25.81925 0.633 30.19153 O ? A ? 85 OG 1
   ATOM 1459 H A SER A 85 ? 9.72640 11.88000 23.32752 0.633 26.16019 H ? A ? 85 H 1
   ATOM 1460 HA A SER A 85 ? 12.28898 11.85682 23.73331 0.633 23.13796 H ? A ? 85 HA 1
   ATOM 1461 HB2 A SER A 85 ? 11.80994 12.87595 25.79184 0.633 34.53133 H ? A ? 85 HB2 1
   ATOM 1462 HB3 A SER A 85 ? 10.99381 13.56589 24.61570 0.633 34.53133 H ? A ? 85 HB3 1
   ATOM 1463 HG A SER A 85 ? 9.92917 11.72627 26.17883 0.633 36.20675 H ? A ? 85 HG 1
   ATOM 1464 N B SER A 85 ? 10.30906 11.36187 23.26528 0.367 24.22893 N ? A ? 85 N 1
   ATOM 1465 CA B SER A 85 ? 11.33916 11.63466 24.25985 0.367 21.34322 C ? A ? 85 CA 1
   ATOM 1466 C B SER A 85 ? 11.74154 10.38667 25.03058 0.367 19.66260 C ? A ? 85 C 1
   ATOM 1467 O B SER A 85 ? 12.80415 10.37316 25.65356 0.367 25.39103 O ? A ? 85 O 1
   ATOM 1468 CB B SER A 85 ? 10.85064 12.69750 25.24672 0.367 28.97353 C ? A ? 85 CB 1
   ATOM 1469 OG B SER A 85 ? 10.61509 13.93330 24.59601 0.367 32.03895 O ? A ? 85 OG 1
   ATOM 1470 H B SER A 85 ? 9.54036 11.70276 23.44556 0.367 29.05164 H ? A ? 85 H 1
   ATOM 1471 HA B SER A 85 ? 12.12231 11.97793 23.80187 0.367 25.58878 H ? A ? 85 HA 1
   ATOM 1472 HB2 B SER A 85 ? 10.02351 12.39328 25.65193 0.367 34.74515 H ? A ? 85 HB2 1
   ATOM 1473 HB3 B SER A 85 ? 11.52706 12.82624 25.92993 0.367 34.74515 H ? A ? 85 HB3 1
   ATOM 1474 HG B SER A 85 ? 11.32522 14.21333 24.24543 0.367 38.42365 H ? A ? 85 HG 1
   ATOM 1475 N . ARG A 86 ? 10.91565 9.34588 25.00479 1.000 21.11771 N ? A ? 86 N 1
   ATOM 1476 CA . ARG A 86 ? 11.19119 8.13629 25.76947 1.000 19.29349 C ? A ? 86 CA 1
   ATOM 1477 C . ARG A 86 ? 12.21850 7.24384 25.08463 1.000 28.54553 C ? A ? 86 C 1
   ATOM 1478 O . ARG A 86 ? 12.96673 6.52626 25.75953 1.000 25.36251 O ? A ? 86 O 1
   ATOM 1479 CB . ARG A 86 ? 9.88675 7.36831 25.97091 1.000 30.55587 C ? A ? 86 CB 1
   ATOM 1480 CG . ARG A 86 ? 9.93933 6.24172 26.98098 1.000 39.69313 C ? A ? 86 CG 1
   ATOM 1481 CD . ARG A 86 ? 8.53672 5.68246 27.24477 1.000 51.52063 C ? A ? 86 CD 1
   ATOM 1482 NE . ARG A 86 ? 7.57223 6.72540 27.58572 1.000 51.96730 N ? A ? 86 NE 1
   ATOM 1483 CZ . ARG A 86 ? 7.26778 7.10041 28.82389 1.000 57.49106 C ? A ? 86 CZ 1
   ATOM 1484 NH1 . ARG A 86 ? 7.81943 6.51421 29.88414 1.000 61.34621 N ? A ? 86 NH1 1
   ATOM 1485 NH2 . ARG A 86 ? 6.38711 8.08697 29.00548 1.000 52.53124 N ? A ? 86 NH2 1
   ATOM 1486 HA . ARG A 86 ? 11.54907 8.38044 26.63735 1.000 23.12910 H ? A ? 86 HA 1
   ATOM 1487 HB2 . ARG A 86 ? 9.20869 7.99340 26.27156 1.000 36.64396 H ? A ? 86 HB2 1
   ATOM 1488 HB3 . ARG A 86 ? 9.62705 6.98085 25.12042 1.000 36.64396 H ? A ? 86 HB3 1
   ATOM 1489 HG2 . ARG A 86 ? 10.49710 5.52559 26.63901 1.000 47.60867 H ? A ? 86 HG2 1
   ATOM 1490 HG3 . ARG A 86 ? 10.30105 6.57325 27.81773 1.000 47.60867 H ? A ? 86 HG3 1
   ATOM 1491 HD2 . ARG A 86 ? 8.22067 5.22998 26.44710 1.000 61.80167 H ? A ? 86 HD2 1
   ATOM 1492 HD3 . ARG A 86 ? 8.57864 5.05798 27.98583 1.000 61.80167 H ? A ? 86 HD3 1
   ATOM 1493 HE . ARG A 86 ? 7.17237 7.12584 26.93814 1.000 62.33768 H ? A ? 86 HE 1
   ATOM 1494 HH11 . ARG A 86 ? 8.38706 5.87718 29.77649 1.000 73.59237 H ? A ? 86 HH11 1
   ATOM 1495 HH12 . ARG A 86 ? 7.60818 6.77253 30.67676 1.000 73.59237 H ? A ? 86 HH12 1
   ATOM 1496 HH21 . ARG A 86 ? 6.02515 8.47069 28.32625 1.000 63.01440 H ? A ? 86 HH21 1
   ATOM 1497 HH22 . ARG A 86 ? 6.18169 8.33886 29.80169 1.000 63.01440 H ? A ? 86 HH22 1
   ATOM 1498 H A ARG A 86 ? 10.17373 9.33875 24.56994 0.633 25.31817 H ? A ? 86 H 1
   ATOM 1499 H B ARG A 86 ? 10.18597 9.31436 24.55073 0.367 25.31817 H ? A ? 86 H 1
   ATOM 1500 N . GLY A 87 ? 12.28133 7.28124 23.76069 1.000 26.58146 N ? A ? 87 N 1
   ATOM 1501 CA . GLY A 87 ? 13.17380 6.36407 23.08055 1.000 29.57961 C ? A ? 87 CA 1
   ATOM 1502 C . GLY A 87 ? 12.75007 4.92950 23.36569 1.000 17.68155 C ? A ? 87 C 1
   ATOM 1503 O . GLY A 87 ? 11.61845 4.64182 23.75556 1.000 24.58190 O ? A ? 87 O 1
   ATOM 1504 H . GLY A 87 ? 11.83279 7.81015 23.25209 1.000 31.87467 H ? A ? 87 H 1
   ATOM 1505 HA2 . GLY A 87 ? 13.14271 6.51949 22.12358 1.000 35.47245 H ? A ? 87 HA2 1
   ATOM 1506 HA3 . GLY A 87 ? 14.08316 6.49386 23.39218 1.000 35.47245 H ? A ? 87 HA3 1
   ATOM 1507 N . HIS A 88 ? 13.70274 4.01086 23.15622 1.000 25.63210 N ? A ? 88 N 1
   ATOM 1508 CA . HIS A 88 ? 13.55534 2.59596 23.48019 1.000 26.73873 C ? A ? 88 CA 1
   ATOM 1509 C . HIS A 88 ? 14.88211 2.17757 24.10632 1.000 39.39487 C ? A ? 88 C 1
   ATOM 1510 O . HIS A 88 ? 15.91872 2.25984 23.44014 1.000 39.61006 O ? A ? 88 O 1
   ATOM 1511 CB . HIS A 88 ? 13.26016 1.77173 22.22254 1.000 33.51749 C ? A ? 88 CB 1
   ATOM 1512 CG . HIS A 88 ? 12.84523 0.36213 22.51158 1.000 29.37205 C ? A ? 88 CG 1
   ATOM 1513 ND1 . HIS A 88 ? 13.75261 -0.63734 22.78655 1.000 31.73523 N ? A ? 88 ND1 1
   ATOM 1514 CD2 . HIS A 88 ? 11.62253 -0.21667 22.56739 1.000 33.57425 C ? A ? 88 CD2 1
   ATOM 1515 CE1 . HIS A 88 ? 13.10793 -1.76970 23.00019 1.000 41.29205 C ? A ? 88 CE1 1
   ATOM 1516 NE2 . HIS A 88 ? 11.81322 -1.54167 22.87215 1.000 48.72711 N ? A ? 88 NE2 1
   ATOM 1517 H . HIS A 88 ? 14.47037 4.19410 22.81451 1.000 30.73544 H ? A ? 88 H 1
   ATOM 1518 HA . HIS A 88 ? 12.81686 2.43688 24.08866 1.000 32.06339 H ? A ? 88 HA 1
   ATOM 1519 HB2 . HIS A 88 ? 12.54025 2.19797 21.73168 1.000 40.19791 H ? A ? 88 HB2 1
   ATOM 1520 HB3 . HIS A 88 ? 14.06064 1.73894 21.67568 1.000 40.19791 H ? A ? 88 HB3 1
   ATOM 1521 HD2 . HIS A 88 ? 10.80570 0.20477 22.42570 1.000 40.26601 H ? A ? 88 HD2 1
   ATOM 1522 HE1 . HIS A 88 ? 13.49877 -2.58817 23.20574 1.000 49.52738 H ? A ? 88 HE1 1
   ATOM 1523 HE2 . HIS A 88 ? 11.19084 -2.12792 22.96465 1.000 58.44945 H ? A ? 88 HE2 1
   ATOM 1524 N . PRO A 89 ? 14.92379 1.79029 25.38093 1.000 19.92707 N ? A ? 89 N 1
   ATOM 1525 CA . PRO A 89 ? 16.22623 1.52095 26.00984 1.000 18.66229 C ? A ? 89 CA 1
   ATOM 1526 C . PRO A 89 ? 16.96563 0.36146 25.35361 1.000 23.63149 C ? A ? 89 C 1
   ATOM 1527 O . PRO A 89 ? 16.42159 -0.73034 25.17996 1.000 38.03108 O ? A ? 89 O 1
   ATOM 1528 CB . PRO A 89 ? 15.85975 1.21720 27.46687 1.000 28.71024 C ? A ? 89 CB 1
   ATOM 1529 CG . PRO A 89 ? 14.63355 2.07469 27.69931 1.000 29.64580 C ? A ? 89 CG 1
   ATOM 1530 CD . PRO A 89 ? 13.85683 1.95925 26.38845 1.000 26.60005 C ? A ? 89 CD 1
   ATOM 1531 HA . PRO A 89 ? 16.78525 2.31235 25.96423 1.000 22.37166 H ? A ? 89 HA 1
   ATOM 1532 HB2 . PRO A 89 ? 15.65802 0.27457 27.57483 1.000 34.42921 H ? A ? 89 HB2 1
   ATOM 1533 HB3 . PRO A 89 ? 16.58609 1.47082 28.05764 1.000 34.42921 H ? A ? 89 HB3 1
   ATOM 1534 HG2 . PRO A 89 ? 14.11820 1.72866 28.44468 1.000 35.55188 H ? A ? 89 HG2 1
   ATOM 1535 HG3 . PRO A 89 ? 14.89390 2.99268 27.87373 1.000 35.55188 H ? A ? 89 HG3 1
   ATOM 1536 HD2 . PRO A 89 ? 13.26831 1.18829 26.40176 1.000 31.89698 H ? A ? 89 HD2 1
   ATOM 1537 HD3 . PRO A 89 ? 13.34432 2.76494 26.21786 1.000 31.89698 H ? A ? 89 HD3 1
   ATOM 1538 N . GLY A 90 ? 18.22678 0.60776 25.00538 1.000 24.71968 N ? A ? 90 N 1
   ATOM 1539 CA . GLY A 90 ? 19.06443 -0.41547 24.41847 1.000 45.16899 C ? A ? 90 CA 1
   ATOM 1540 C . GLY A 90 ? 18.91704 -0.57403 22.92437 1.000 49.71756 C ? A ? 90 C 1
   ATOM 1541 O . GLY A 90 ? 19.53463 -1.47805 22.34516 1.000 40.24549 O ? A ? 90 O 1
   ATOM 1542 H . GLY A 90 ? 18.61758 1.36769 25.10231 1.000 29.64053 H ? A ? 90 H 1
   ATOM 1543 HA2 . GLY A 90 ? 19.99227 -0.20153 24.60350 1.000 54.17971 H ? A ? 90 HA2 1
   ATOM 1544 HA3 . GLY A 90 ? 18.84873 -1.26724 24.82940 1.000 54.17971 H ? A ? 90 HA3 1
   ATOM 1545 N . VAL A 91 ? 18.08937 0.24792 22.28591 1.000 35.56441 N ? A ? 91 N 1
   ATOM 1546 CA . VAL A 91 ? 17.93074 0.19976 20.84101 1.000 26.16776 C ? A ? 91 CA 1
   ATOM 1547 C . VAL A 91 ? 17.85575 1.62476 20.32316 1.000 30.07697 C ? A ? 91 C 1
   ATOM 1548 O . VAL A 91 ? 18.58742 1.99485 19.39826 1.000 27.62894 O ? A ? 91 O 1
   ATOM 1549 CB . VAL A 91 ? 16.68348 -0.60449 20.43715 1.000 25.79782 C ? A ? 91 CB 1
   ATOM 1550 CG1 . VAL A 91 ? 16.51034 -0.57410 18.92279 1.000 23.91362 C ? A ? 91 CG1 1
   ATOM 1551 CG2 . VAL A 91 ? 16.77975 -2.03164 20.94042 1.000 32.08261 C ? A ? 91 CG2 1
   ATOM 1552 H . VAL A 91 ? 17.60638 0.84558 22.67209 1.000 42.65421 H ? A ? 91 H 1
   ATOM 1553 HA . VAL A 91 ? 18.70087 -0.23833 20.44620 1.000 31.37823 H ? A ? 91 HA 1
   ATOM 1554 HB . VAL A 91 ? 15.90024 -0.20104 20.84294 1.000 30.93431 H ? A ? 91 HB 1
   ATOM 1555 HG11 . VAL A 91 ? 15.76103 -1.13987 18.67918 1.000 28.67326 H ? A ? 91 HG11 1
   ATOM 1556 HG12 . VAL A 91 ? 16.34029 0.33886 18.64263 1.000 28.67326 H ? A ? 91 HG12 1
   ATOM 1557 HG13 . VAL A 91 ? 17.32210 -0.90241 18.50547 1.000 28.67326 H ? A ? 91 HG13 1
   ATOM 1558 HG21 . VAL A 91 ? 16.02693 -2.53864 20.59820 1.000 38.47605 H ? A ? 91 HG21 1
   ATOM 1559 HG22 . VAL A 91 ? 17.61090 -2.42154 20.62726 1.000 38.47605 H ? A ? 91 HG22 1
   ATOM 1560 HG23 . VAL A 91 ? 16.76157 -2.02641 21.91023 1.000 38.47605 H ? A ? 91 HG23 1
   ATOM 1561 N . ILE A 92 ? 16.98121 2.42480 20.91501 1.000 21.67220 N ? A ? 92 N 1
   ATOM 1562 CA . ILE A 92 ? 16.64507 3.75017 20.40523 1.000 19.34316 C ? A ? 92 CA 1
   ATOM 1563 C . ILE A 92 ? 16.86945 4.75909 21.52373 1.000 24.92886 C ? A ? 92 C 1
   ATOM 1564 O . ILE A 92 ? 16.36213 4.57103 22.62539 1.000 31.02804 O ? A ? 92 O 1
   ATOM 1565 CB . ILE A 92 ? 15.19160 3.83445 19.91479 1.000 25.48268 C ? A ? 92 CB 1
   ATOM 1566 CG1 . ILE A 92 ? 14.89119 2.75662 18.87391 1.000 23.28471 C ? A ? 92 CG1 1
   ATOM 1567 CG2 . ILE A 92 ? 14.93541 5.20666 19.34534 1.000 22.76815 C ? A ? 92 CG2 1
   ATOM 1568 CD1 . ILE A 92 ? 15.60128 2.95701 17.55905 1.000 24.97414 C ? A ? 92 CD1 1
   ATOM 1569 H . ILE A 92 ? 16.55669 2.21761 21.63366 1.000 25.98355 H ? A ? 92 H 1
   ATOM 1570 HA . ILE A 92 ? 17.24022 3.96833 19.67099 1.000 23.18870 H ? A ? 92 HA 1
   ATOM 1571 HB . ILE A 92 ? 14.60310 3.68018 20.67028 1.000 30.55613 H ? A ? 92 HB 1
   ATOM 1572 HG12 . ILE A 92 ? 15.16556 1.89667 19.22903 1.000 27.91856 H ? A ? 92 HG12 1
   ATOM 1573 HG13 . ILE A 92 ? 13.93758 2.75328 18.69641 1.000 27.91856 H ? A ? 92 HG13 1
   ATOM 1574 HG21 . ILE A 92 ? 14.10717 5.18958 18.84073 1.000 27.29869 H ? A ? 92 HG21 1
   ATOM 1575 HG22 . ILE A 92 ? 14.86569 5.84302 20.07409 1.000 27.29869 H ? A ? 92 HG22 1
   ATOM 1576 HG23 . ILE A 92 ? 15.67238 5.44969 18.76335 1.000 27.29869 H ? A ? 92 HG23 1
   ATOM 1577 HD11 . ILE A 92 ? 15.46077 2.17548 17.00194 1.000 29.94588 H ? A ? 92 HD11 1
   ATOM 1578 HD12 . ILE A 92 ? 15.24028 3.74408 17.12192 1.000 29.94588 H ? A ? 92 HD12 1
   ATOM 1579 HD13 . ILE A 92 ? 16.54901 3.07737 17.72709 1.000 29.94588 H ? A ? 92 HD13 1
   ATOM 1580 N . PRO A 93 ? 17.59072 5.85048 21.27663 1.000 21.56931 N ? A ? 93 N 1
   ATOM 1581 CA . PRO A 93 ? 17.73874 6.89073 22.31204 1.000 37.61088 C ? A ? 93 CA 1
   ATOM 1582 C . PRO A 93 ? 16.55392 7.84002 22.32879 1.000 35.07321 C ? A ? 93 C 1
   ATOM 1583 O . PRO A 93 ? 15.58994 7.66233 21.56878 1.000 27.05572 O ? A ? 93 O 1
   ATOM 1584 CB . PRO A 93 ? 19.01752 7.62801 21.88847 1.000 36.26738 C ? A ? 93 CB 1
   ATOM 1585 CG . PRO A 93 ? 19.06627 7.43268 20.37353 1.000 39.05392 C ? A ? 93 CG 1
   ATOM 1586 CD . PRO A 93 ? 18.50680 6.04982 20.13674 1.000 31.65588 C ? A ? 93 CD 1
   ATOM 1587 HA . PRO A 93 ? 17.84939 6.48617 23.18668 1.000 45.10997 H ? A ? 93 HA 1
   ATOM 1588 HB2 . PRO A 93 ? 18.95452 8.56791 22.11982 1.000 43.49777 H ? A ? 93 HB2 1
   ATOM 1589 HB3 . PRO A 93 ? 19.79101 7.23149 22.31905 1.000 43.49777 H ? A ? 93 HB3 1
   ATOM 1590 HG2 . PRO A 93 ? 18.52200 8.10599 19.93611 1.000 46.84162 H ? A ? 93 HG2 1
   ATOM 1591 HG3 . PRO A 93 ? 19.98291 7.49337 20.06211 1.000 46.84162 H ? A ? 93 HG3 1
   ATOM 1592 HD2 . PRO A 93 ? 18.02421 6.01254 19.29613 1.000 37.96397 H ? A ? 93 HD2 1
   ATOM 1593 HD3 . PRO A 93 ? 19.21417 5.38612 20.14290 1.000 37.96397 H ? A ? 93 HD3 1
   ATOM 1594 N . PRO A 94 ? 16.57526 8.84737 23.20374 1.000 35.84463 N ? A ? 94 N 1
   ATOM 1595 CA . PRO A 94 ? 15.47980 9.82987 23.22813 1.000 27.18726 C ? A ? 94 CA 1
   ATOM 1596 C . PRO A 94 ? 15.52773 10.85590 22.10025 1.000 25.82503 C ? A ? 94 C 1
   ATOM 1597 O . PRO A 94 ? 16.58929 11.19567 21.57513 1.000 42.04426 O ? A ? 94 O 1
   ATOM 1598 CB . PRO A 94 ? 15.64423 10.52399 24.59293 1.000 40.73945 C ? A ? 94 CB 1
   ATOM 1599 CG . PRO A 94 ? 16.40615 9.55029 25.44636 1.000 23.70546 C ? A ? 94 CG 1
   ATOM 1600 CD . PRO A 94 ? 17.30563 8.78128 24.48537 1.000 36.69639 C ? A ? 94 CD 1
   ATOM 1601 HA . PRO A 94 ? 14.63655 9.35329 23.17621 1.000 32.60163 H ? A ? 94 HA 1
   ATOM 1602 HB2 . PRO A 94 ? 16.14073 11.35009 24.48366 1.000 48.86426 H ? A ? 94 HB2 1
   ATOM 1603 HB3 . PRO A 94 ? 14.77189 10.70920 24.97453 1.000 48.86426 H ? A ? 94 HB3 1
   ATOM 1604 HG2 . PRO A 94 ? 16.93435 10.03176 26.10218 1.000 28.42347 H ? A ? 94 HG2 1
   ATOM 1605 HG3 . PRO A 94 ? 15.78769 8.95149 25.89339 1.000 28.42347 H ? A ? 94 HG3 1
   ATOM 1606 HD2 . PRO A 94 ? 18.17355 9.20777 24.40979 1.000 44.01259 H ? A ? 94 HD2 1
   ATOM 1607 HD3 . PRO A 94 ? 17.41200 7.86145 24.77435 1.000 44.01259 H ? A ? 94 HD3 1
   ATOM 1608 N . ASN A 95 ? 14.33606 11.37949 21.76618 1.000 22.81158 N ? A ? 95 N 1
   ATOM 1609 CA . ASN A 95 ? 14.14443 12.46336 20.79427 1.000 26.31350 C ? A ? 95 CA 1
   ATOM 1610 C . ASN A 95 ? 14.86259 12.18468 19.47397 1.000 19.93843 C ? A ? 95 C 1
   ATOM 1611 O . ASN A 95 ? 15.38075 13.09139 18.82038 1.000 26.57916 O ? A ? 95 O 1
   ATOM 1612 CB . ASN A 95 ? 14.52373 13.83738 21.36580 1.000 27.17418 C ? A ? 95 CB 1
   ATOM 1613 CG . ASN A 95 ? 13.37015 14.51799 22.11876 1.000 31.80281 C ? A ? 95 CG 1
   ATOM 1614 OD1 . ASN A 95 ? 12.20628 14.13748 22.00086 1.000 29.42963 O ? A ? 95 OD1 1
   ATOM 1615 ND2 . ASN A 95 ? 13.70619 15.54351 22.89540 1.000 28.76940 N ? A ? 95 ND2 1
   ATOM 1616 H . ASN A 95 ? 13.59284 11.11035 22.10498 1.000 27.35082 H ? A ? 95 H 1
   ATOM 1617 HA . ASN A 95 ? 13.19566 12.49674 20.59519 1.000 31.55311 H ? A ? 95 HA 1
   ATOM 1618 HB2 . ASN A 95 ? 15.26107 13.72729 21.98637 1.000 32.58594 H ? A ? 95 HB2 1
   ATOM 1619 HB3 . ASN A 95 ? 14.78819 14.41941 20.63627 1.000 32.58594 H ? A ? 95 HB3 1
   ATOM 1620 HD21 . ASN A 95 ? 14.52866 15.78817 22.95262 1.000 34.50020 H ? A ? 95 HD21 1
   ATOM 1621 HD22 . ASN A 95 ? 13.10106 15.96217 23.34054 1.000 34.50020 H ? A ? 95 HD22 1
   ATOM 1622 N . ALA A 96 ? 14.84026 10.92007 19.05099 1.000 30.25267 N ? A ? 96 N 1
   ATOM 1623 CA . ALA A 96 ? 15.58957 10.48075 17.88066 1.000 26.58178 C ? A ? 96 CA 1
   ATOM 1624 C . ALA A 96 ? 14.72542 10.54356 16.62385 1.000 15.52754 C ? A ? 96 C 1
   ATOM 1625 O . ALA A 96 ? 13.64441 9.95189 16.57113 1.000 21.63578 O ? A ? 96 O 1
   ATOM 1626 CB . ALA A 96 ? 16.09487 9.05434 18.08850 1.000 29.28334 C ? A ? 96 CB 1
   ATOM 1627 H . ALA A 96 ? 14.39217 10.29256 19.43185 1.000 36.28012 H ? A ? 96 H 1
   ATOM 1628 HA . ALA A 96 ? 16.33981 11.08233 17.75358 1.000 31.87506 H ? A ? 96 HA 1
   ATOM 1629 HB1 . ALA A 96 ? 16.59391 8.77860 17.30376 1.000 35.11692 H ? A ? 96 HB1 1
   ATOM 1630 HB2 . ALA A 96 ? 16.66919 9.03348 18.86993 1.000 35.11692 H ? A ? 96 HB2 1
   ATOM 1631 HB3 . ALA A 96 ? 15.33491 8.46622 18.22074 1.000 35.11692 H ? A ? 96 HB3 1
   ATOM 1632 N . THR A 97 ? 15.20459 11.26602 15.62324 1.000 20.27489 N ? A ? 97 N 1
   ATOM 1633 CA . THR A 97 ? 14.67088 11.12831 14.27409 1.000 19.31730 C ? A ? 97 CA 1
   ATOM 1634 C . THR A 97 ? 15.18213 9.80734 13.70206 1.000 17.92626 C ? A ? 97 C 1
   ATOM 1635 O . THR A 97 ? 16.37901 9.50675 13.76260 1.000 17.71239 O ? A ? 97 O 1
   ATOM 1636 CB . THR A 97 ? 15.15593 12.29163 13.41264 1.000 16.86896 C ? A ? 97 CB 1
   ATOM 1637 OG1 . THR A 97 ? 14.62320 13.53503 13.91647 1.000 23.33117 O ? A ? 97 OG1 1
   ATOM 1638 CG2 . THR A 97 ? 14.72385 12.11956 11.96116 1.000 22.20294 C ? A ? 97 CG2 1
   ATOM 1639 H . THR A 97 ? 15.83800 11.84311 15.69642 1.000 24.30678 H ? A ? 97 H 1
   ATOM 1640 HA . THR A 97 ? 13.70092 11.13610 14.27572 1.000 23.15768 H ? A ? 97 HA 1
   ATOM 1641 HB . THR A 97 ? 16.12518 12.31609 13.44190 1.000 20.21967 H ? A ? 97 HB 1
   ATOM 1642 HG1 . THR A 97 ? 14.47124 13.46975 14.74003 1.000 27.97432 H ? A ? 97 HG1 1
   ATOM 1643 HG21 . THR A 97 ? 14.83257 12.95552 11.48132 1.000 26.62044 H ? A ? 97 HG21 1
   ATOM 1644 HG22 . THR A 97 ? 15.26477 11.43793 11.53258 1.000 26.62044 H ? A ? 97 HG22 1
   ATOM 1645 HG23 . THR A 97 ? 13.79206 11.85286 11.92178 1.000 26.62044 H ? A ? 97 HG23 1
   ATOM 1646 N . LEU A 98 ? 14.28125 8.99380 13.17170 1.000 17.70078 N ? A ? 98 N 1
   ATOM 1647 CA . LEU A 98 ? 14.66489 7.70022 12.61949 1.000 15.71225 C ? A ? 98 CA 1
   ATOM 1648 C . LEU A 98 ? 14.50351 7.73247 11.10591 1.000 15.03427 C ? A ? 98 C 1
   ATOM 1649 O . LEU A 98 ? 13.50636 8.24180 10.59807 1.000 16.08932 O ? A ? 98 O 1
   ATOM 1650 CB . LEU A 98 ? 13.81274 6.57526 13.19188 1.000 15.28347 C ? A ? 98 CB 1
   ATOM 1651 CG . LEU A 98 ? 13.76033 6.43774 14.72272 1.000 16.04409 C ? A ? 98 CG 1
   ATOM 1652 CD1 . LEU A 98 ? 12.86850 5.24885 15.05871 1.000 21.29857 C ? A ? 98 CD1 1
   ATOM 1653 CD2 . LEU A 98 ? 15.13154 6.26558 15.33733 1.000 14.94144 C ? A ? 98 CD2 1
   ATOM 1654 H . LEU A 98 ? 13.44067 9.16788 13.11954 1.000 21.21785 H ? A ? 98 H 1
   ATOM 1655 HA . LEU A 98 ? 15.59213 7.51880 12.83907 1.000 18.83162 H ? A ? 98 HA 1
   ATOM 1656 HB2 . LEU A 98 ? 12.90082 6.71025 12.89009 1.000 18.31708 H ? A ? 98 HB2 1
   ATOM 1657 HB3 . LEU A 98 ? 14.15610 5.73675 12.84561 1.000 18.31708 H ? A ? 98 HB3 1
   ATOM 1658 HG . LEU A 98 ? 13.39980 7.25236 15.10653 1.000 19.22982 H ? A ? 98 HG 1
   ATOM 1659 HD11 . LEU A 98 ? 12.85074 5.12943 16.02117 1.000 25.53520 H ? A ? 98 HD11 1
   ATOM 1660 HD12 . LEU A 98 ? 11.97258 5.42341 14.73046 1.000 25.53520 H ? A ? 98 HD12 1
   ATOM 1661 HD13 . LEU A 98 ? 13.22768 4.45448 14.63341 1.000 25.53520 H ? A ? 98 HD13 1
   ATOM 1662 HD21 . LEU A 98 ? 15.03368 6.11449 16.29048 1.000 17.90665 H ? A ? 98 HD21 1
   ATOM 1663 HD22 . LEU A 98 ? 15.56914 5.50442 14.92497 1.000 17.90665 H ? A ? 98 HD22 1
   ATOM 1664 HD23 . LEU A 98 ? 15.65071 7.07000 15.18151 1.000 17.90665 H ? A ? 98 HD23 1
   ATOM 1665 N A THR A 99 ? 15.50722 7.22524 10.39210 1.000 16.95096 N ? A ? 99 N 1
   ATOM 1666 CA A THR A 99 ? 15.46898 7.14001 8.93931 1.000 15.10203 C ? A ? 99 CA 1
   ATOM 1667 C A THR A 99 ? 15.39204 5.67884 8.54113 1.000 13.57642 C ? A ? 99 C 1
   ATOM 1668 O A THR A 99 ? 16.19445 4.86408 8.99251 1.000 16.49619 O ? A ? 99 O 1
   ATOM 1669 CB A THR A 99 ? 16.69944 7.79394 8.32377 1.000 19.42036 C ? A ? 99 CB 1
   ATOM 1670 OG1 A THR A 99 ? 16.63745 9.20381 8.55882 1.000 24.15239 O ? A ? 99 OG1 1
   ATOM 1671 CG2 A THR A 99 ? 16.75700 7.51736 6.82505 1.000 28.54906 C ? A ? 99 CG2 1
   ATOM 1672 H A THR A 99 ? 16.23327 6.91914 10.73670 1.000 20.31806 H ? A ? 99 H 1
   ATOM 1673 HA A THR A 99 ? 14.68445 7.59784 8.59903 1.000 18.09935 H ? A ? 99 HA 1
   ATOM 1674 HB A THR A 99 ? 17.50695 7.43313 8.72207 1.000 23.28134 H ? A ? 99 HB 1
   ATOM 1675 HG1 A THR A 99 ? 17.38398 9.48416 8.82281 1.000 28.95979 H ? A ? 99 HG1 1
   ATOM 1676 HG21 A THR A 99 ? 17.35406 8.14864 6.39388 1.000 34.23578 H ? A ? 99 HG21 1
   ATOM 1677 HG22 A THR A 99 ? 17.08222 6.61745 6.66601 1.000 34.23578 H ? A ? 99 HG22 1
   ATOM 1678 HG23 A THR A 99 ? 15.87230 7.60550 6.43720 1.000 34.23578 H ? A ? 99 HG23 1
   ATOM 1679 N B THR A 99 ? 15.46958 7.15984 10.39204 0.000 16.84632 N ? A ? 99 N 1
   ATOM 1680 CA B THR A 99 ? 15.47228 7.15030 8.93346 0.000 15.26292 C ? A ? 99 CA 1
   ATOM 1681 C B THR A 99 ? 15.45459 5.70898 8.44913 0.000 13.86034 C ? A ? 99 C 1
   ATOM 1682 O B THR A 99 ? 16.38297 4.94528 8.72611 0.000 16.15218 O ? A ? 99 O 1
   ATOM 1683 CB B THR A 99 ? 16.70737 7.87049 8.39047 0.000 18.83253 C ? A ? 99 CB 1
   ATOM 1684 OG1 B THR A 99 ? 16.67347 9.24510 8.79089 0.000 22.32445 O ? A ? 99 OG1 1
   ATOM 1685 CG2 B THR A 99 ? 16.76101 7.77839 6.87053 0.000 23.31624 C ? A ? 99 CG2 1
   ATOM 1686 H B THR A 99 ? 16.14850 6.76203 10.73906 0.000 20.19250 H ? A ? 99 H 1
   ATOM 1687 HA B THR A 99 ? 14.67545 7.59636 8.60635 0.000 18.29242 H ? A ? 99 HA 1
   ATOM 1688 HB B THR A 99 ? 17.50828 7.45256 8.74371 0.000 22.57595 H ? A ? 99 HB 1
   ATOM 1689 HG1 B THR A 99 ? 17.45576 9.53696 8.88273 0.000 26.76625 H ? A ? 99 HG1 1
   ATOM 1690 HG21 B THR A 99 ? 17.42205 8.39780 6.52375 0.000 27.95640 H ? A ? 99 HG21 1
   ATOM 1691 HG22 B THR A 99 ? 17.00127 6.87810 6.60098 0.000 27.95640 H ? A ? 99 HG22 1
   ATOM 1692 HG23 B THR A 99 ? 15.89474 7.99911 6.49401 0.000 27.95640 H ? A ? 99 HG23 1
   ATOM 1693 N . PHE A 100 ? 14.41636 5.34919 7.70594 1.000 14.91885 N ? A ? 100 N 1
   ATOM 1694 CA . PHE A 100 ? 14.26473 3.98036 7.24150 1.000 13.87921 C ? A ? 100 CA 1
   ATOM 1695 C . PHE A 100 ? 14.30185 3.93391 5.72565 1.000 13.21454 C ? A ? 100 C 1
   ATOM 1696 O . PHE A 100 ? 13.54032 4.63039 5.06680 1.000 15.55094 O ? A ? 100 O 1
   ATOM 1697 CB . PHE A 100 ? 12.93118 3.37479 7.67554 1.000 14.26785 C ? A ? 100 CB 1
   ATOM 1698 CG . PHE A 100 ? 12.77681 3.16580 9.14381 1.000 11.70756 C ? A ? 100 CG 1
   ATOM 1699 CD1 . PHE A 100 ? 12.31708 4.19147 9.94411 1.000 14.00179 C ? A ? 100 CD1 1
   ATOM 1700 CD2 . PHE A 100 ? 13.02708 1.93262 9.71279 1.000 13.74223 C ? A ? 100 CD2 1
   ATOM 1701 CE1 . PHE A 100 ? 12.13527 3.98930 11.29309 1.000 16.33868 C ? A ? 100 CE1 1
   ATOM 1702 CE2 . PHE A 100 ? 12.84404 1.72066 11.06025 1.000 14.96418 C ? A ? 100 CE2 1
   ATOM 1703 CZ . PHE A 100 ? 12.39745 2.76326 11.85070 1.000 16.06281 C ? A ? 100 CZ 1
   ATOM 1704 HA . PHE A 100 ? 15.00645 3.47598 7.61075 1.000 16.63197 H ? A ? 100 HA 1
   ATOM 1705 HB2 . PHE A 100 ? 12.21834 3.96773 7.39061 1.000 17.09834 H ? A ? 100 HB2 1
   ATOM 1706 HB3 . PHE A 100 ? 12.83397 2.50965 7.24779 1.000 17.09834 H ? A ? 100 HB3 1
   ATOM 1707 HD1 . PHE A 100 ? 12.12944 5.02223 9.57059 1.000 16.77907 H ? A ? 100 HD1 1
   ATOM 1708 HD2 . PHE A 100 ? 13.32434 1.23352 9.17632 1.000 16.46759 H ? A ? 100 HD2 1
   ATOM 1709 HE1 . PHE A 100 ? 11.83338 4.68670 11.82919 1.000 19.58334 H ? A ? 100 HE1 1
   ATOM 1710 HE2 . PHE A 100 ? 13.01846 0.88716 11.43408 1.000 17.93393 H ? A ? 100 HE2 1
   ATOM 1711 HZ . PHE A 100 ? 12.27433 2.63324 12.76330 1.000 19.25229 H ? A ? 100 HZ 1
   ATOM 1712 H A PHE A 100 ? 13.83288 5.89998 7.39645 1.000 17.87953 H ? A ? 100 H 1
   ATOM 1713 H B PHE A 100 ? 13.78686 5.88002 7.45785 0.000 17.87953 H ? A ? 100 H 1
   ATOM 1714 N A ASP A 101 ? 15.23356 3.16119 5.18557 0.759 11.34062 N ? A ? 101 N 1
   ATOM 1715 CA A ASP A 101 ? 15.26133 2.79182 3.77518 0.759 12.30429 C ? A ? 101 CA 1
   ATOM 1716 C A ASP A 101 ? 14.34313 1.58836 3.66191 0.759 8.24039 C ? A ? 101 C 1
   ATOM 1717 O A ASP A 101 ? 14.65205 0.51956 4.19451 0.759 10.03694 O ? A ? 101 O 1
   ATOM 1718 CB A ASP A 101 ? 16.69887 2.44331 3.41560 0.759 14.19950 C ? A ? 101 CB 1
   ATOM 1719 CG A ASP A 101 ? 16.85866 1.94389 2.01159 0.759 14.58501 C ? A ? 101 CG 1
   ATOM 1720 OD1 A ASP A 101 ? 15.85999 1.56519 1.36882 0.759 12.94321 O ? A ? 101 OD1 1
   ATOM 1721 OD2 A ASP A 101 ? 18.02417 1.90512 1.54860 0.759 19.81490 O ? A ? 101 OD2 1
   ATOM 1722 H A ASP A 101 ? 15.88690 2.82428 5.63193 0.759 13.58566 H ? A ? 101 H 1
   ATOM 1723 HA A ASP A 101 ? 14.95183 3.49262 3.18020 0.759 14.74206 H ? A ? 101 HA 1
   ATOM 1724 HB2 A ASP A 101 ? 17.24744 3.23740 3.51251 0.759 17.01632 H ? A ? 101 HB2 1
   ATOM 1725 HB3 A ASP A 101 ? 17.01224 1.74837 4.01540 0.759 17.01632 H ? A ? 101 HB3 1
   ATOM 1726 N D ASP A 101 ? 15.12738 3.05643 5.17098 0.241 9.88253 N ? A ? 101 N 1
   ATOM 1727 CA D ASP A 101 ? 15.11793 2.78520 3.73528 0.241 8.44978 C ? A ? 101 CA 1
   ATOM 1728 C D ASP A 101 ? 14.20362 1.58418 3.51734 0.241 5.18193 C ? A ? 101 C 1
   ATOM 1729 O D ASP A 101 ? 14.58356 0.44329 3.78860 0.241 13.40701 O ? A ? 101 O 1
   ATOM 1730 CB D ASP A 101 ? 16.53166 2.51307 3.24195 0.241 11.87497 C ? A ? 101 CB 1
   ATOM 1731 CG D ASP A 101 ? 16.62292 2.49258 1.73736 0.241 11.66008 C ? A ? 101 CG 1
   ATOM 1732 OD1 D ASP A 101 ? 15.58740 2.24043 1.08557 0.241 18.41542 O ? A ? 101 OD1 1
   ATOM 1733 OD2 D ASP A 101 ? 17.72945 2.72572 1.20825 0.241 12.40838 O ? A ? 101 OD2 1
   ATOM 1734 H D ASP A 101 ? 15.70978 2.59897 5.60818 0.241 11.83596 H ? A ? 101 H 1
   ATOM 1735 HA D ASP A 101 ? 14.76731 3.54543 3.24537 0.241 10.11666 H ? A ? 101 HA 1
   ATOM 1736 HB2 D ASP A 101 ? 17.12167 3.20962 3.56998 0.241 14.22688 H ? A ? 101 HB2 1
   ATOM 1737 HB3 D ASP A 101 ? 16.82233 1.64891 3.57308 0.241 14.22688 H ? A ? 101 HB3 1
   ATOM 1738 N A VAL A 102 ? 13.18901 1.78909 3.03791 0.759 8.77720 N ? A ? 102 N 1
   ATOM 1739 CA A VAL A 102 ? 12.14446 0.77045 2.94896 0.759 7.96553 C ? A ? 102 CA 1
   ATOM 1740 C A VAL A 102 ? 11.88352 0.44050 1.48712 0.759 9.75995 C ? A ? 102 C 1
   ATOM 1741 O A VAL A 102 ? 11.81338 1.32852 0.63640 0.759 8.96232 O ? A ? 102 O 1
   ATOM 1742 CB A VAL A 102 ? 10.83414 1.28234 3.59775 0.759 9.92432 C ? A ? 102 CB 1
   ATOM 1743 CG1 A VAL A 102 ? 9.73064 0.23311 3.49302 0.759 9.47689 C ? A ? 102 CG1 1
   ATOM 1744 CG2 A VAL A 102 ? 11.06224 1.69926 5.03142 0.759 11.03805 C ? A ? 102 CG2 1
   ATOM 1745 H A VAL A 102 ? 12.98047 2.52634 2.64730 0.759 10.50956 H ? A ? 102 H 1
   ATOM 1746 HA A VAL A 102 ? 12.44980 -0.03454 3.39580 0.759 9.53555 H ? A ? 102 HA 1
   ATOM 1747 HB A VAL A 102 ? 10.53862 2.06870 3.11276 0.759 11.88610 H ? A ? 102 HB 1
   ATOM 1748 HG11 A VAL A 102 ? 8.97135 0.51922 4.02455 0.759 11.34919 H ? A ? 102 HG11 1
   ATOM 1749 HG12 A VAL A 102 ? 9.46837 0.14233 2.56358 0.759 11.34919 H ? A ? 102 HG12 1
   ATOM 1750 HG13 A VAL A 102 ? 10.06724 -0.61352 3.82594 0.759 11.34919 H ? A ? 102 HG13 1
   ATOM 1751 HG21 A VAL A 102 ? 10.22243 2.00424 5.40905 0.759 13.22257 H ? A ? 102 HG21 1
   ATOM 1752 HG22 A VAL A 102 ? 11.39325 0.93777 5.53290 0.759 13.22257 H ? A ? 102 HG22 1
   ATOM 1753 HG23 A VAL A 102 ? 11.71413 2.41727 5.05160 0.759 13.22257 H ? A ? 102 HG23 1
   ATOM 1754 N D VAL A 102 ? 12.99335 1.83883 3.02498 0.241 9.89492 N ? A ? 102 N 1
   ATOM 1755 CA D VAL A 102 ? 11.93333 0.83595 2.95686 0.241 8.37238 C ? A ? 102 CA 1
   ATOM 1756 C D VAL A 102 ? 11.65410 0.50021 1.49907 0.241 8.34354 C ? A ? 102 C 1
   ATOM 1757 O D VAL A 102 ? 11.38725 1.39707 0.69495 0.241 7.62669 O ? A ? 102 O 1
   ATOM 1758 CB D VAL A 102 ? 10.64239 1.35685 3.62043 0.241 7.17269 C ? A ? 102 CB 1
   ATOM 1759 CG1 D VAL A 102 ? 9.51417 0.33636 3.47671 0.241 8.76873 C ? A ? 102 CG1 1
   ATOM 1760 CG2 D VAL A 102 ? 10.88288 1.71490 5.07447 0.241 9.52824 C ? A ? 102 CG2 1
   ATOM 1761 H D VAL A 102 ? 12.75682 2.60589 2.71629 0.241 11.85082 H ? A ? 102 H 1
   ATOM 1762 HA D VAL A 102 ? 12.23795 0.03239 3.40675 0.241 10.02377 H ? A ? 102 HA 1
   ATOM 1763 HB D VAL A 102 ? 10.36581 2.16840 3.16681 0.241 8.58415 H ? A ? 102 HB 1
   ATOM 1764 HG11 D VAL A 102 ? 8.77635 0.59857 4.04923 0.241 10.49940 H ? A ? 102 HG11 1
   ATOM 1765 HG12 D VAL A 102 ? 9.22355 0.31509 2.55151 0.241 10.49940 H ? A ? 102 HG12 1
   ATOM 1766 HG13 D VAL A 102 ? 9.84308 -0.53728 3.74028 0.241 10.49940 H ? A ? 102 HG13 1
   ATOM 1767 HG21 D VAL A 102 ? 10.04460 1.99629 5.47322 0.241 11.41080 H ? A ? 102 HG21 1
   ATOM 1768 HG22 D VAL A 102 ? 11.22503 0.93529 5.53926 0.241 11.41080 H ? A ? 102 HG22 1
   ATOM 1769 HG23 D VAL A 102 ? 11.52923 2.43680 5.11920 0.241 11.41080 H ? A ? 102 HG23 1
   ATOM 1770 N A GLU A 103 ? 11.71166 -0.83533 1.18107 0.759 9.54930 N ? A ? 103 N 1
   ATOM 1771 CA A GLU A 103 ? 11.17025 -1.26042 -0.09789 0.759 10.63971 C ? A ? 103 CA 1
   ATOM 1772 C A GLU A 103 ? 9.86534 -2.00296 0.16693 0.759 8.96690 C ? A ? 103 C 1
   ATOM 1773 O A GLU A 103 ? 9.81083 -2.91406 1.00736 0.759 8.44435 O ? A ? 103 O 1
   ATOM 1774 CB A GLU A 103 ? 12.14550 -2.14540 -0.85456 0.759 11.83578 C ? A ? 103 CB 1
   ATOM 1775 CG A GLU A 103 ? 11.59302 -2.51932 -2.22836 0.759 15.10239 C ? A ? 103 CG 1
   ATOM 1776 CD A GLU A 103 ? 12.59174 -3.21249 -3.13253 0.759 32.86526 C ? A ? 103 CD 1
   ATOM 1777 OE1 A GLU A 103 ? 13.77381 -3.33677 -2.75415 0.759 32.09502 O ? A ? 103 OE1 1
   ATOM 1778 OE2 A GLU A 103 ? 12.18514 -3.63055 -4.23746 0.759 24.35969 O ? A ? 103 OE2 1
   ATOM 1779 H A GLU A 103 ? 11.90539 -1.48594 1.70906 0.759 11.43608 H ? A ? 103 H 1
   ATOM 1780 HA A GLU A 103 ? 10.99027 -0.48825 -0.65670 0.759 12.74457 H ? A ? 103 HA 1
   ATOM 1781 HB2 A GLU A 103 ? 12.98235 -1.67075 -0.97818 0.759 14.17985 H ? A ? 103 HB2 1
   ATOM 1782 HB3 A GLU A 103 ? 12.29772 -2.96082 -0.35173 0.759 14.17985 H ? A ? 103 HB3 1
   ATOM 1783 HG2 A GLU A 103 ? 10.84050 -3.11933 -2.10751 0.759 18.09978 H ? A ? 103 HG2 1
   ATOM 1784 HG3 A GLU A 103 ? 11.30308 -1.70976 -2.67719 0.759 18.09978 H ? A ? 103 HG3 1
   ATOM 1785 N D GLU A 103 ? 11.66940 -0.78792 1.16348 0.241 9.03238 N ? A ? 103 N 1
   ATOM 1786 CA D GLU A 103 ? 11.18135 -1.26612 -0.12571 0.241 10.54061 C ? A ? 103 CA 1
   ATOM 1787 C D GLU A 103 ? 9.89007 -2.04571 0.09842 0.241 8.70381 C ? A ? 103 C 1
   ATOM 1788 O D GLU A 103 ? 9.88666 -3.05741 0.80527 0.241 10.01958 O ? A ? 103 O 1
   ATOM 1789 CB D GLU A 103 ? 12.20423 -2.15319 -0.83674 0.241 11.72098 C ? A ? 103 CB 1
   ATOM 1790 CG D GLU A 103 ? 11.76647 -2.52489 -2.26213 0.241 12.82129 C ? A ? 103 CG 1
   ATOM 1791 CD D GLU A 103 ? 12.55745 -3.67508 -2.86908 0.241 18.01422 C ? A ? 103 CD 1
   ATOM 1792 OE1 D GLU A 103 ? 13.69407 -3.91878 -2.42946 0.241 11.57096 O ? A ? 103 OE1 1
   ATOM 1793 OE2 D GLU A 103 ? 12.03710 -4.33014 -3.79626 0.241 14.23008 O ? A ? 103 OE2 1
   ATOM 1794 H D GLU A 103 ? 11.96304 -1.41326 1.67566 0.241 10.81577 H ? A ? 103 H 1
   ATOM 1795 HA D GLU A 103 ? 11.00332 -0.49828 -0.69106 0.241 12.62565 H ? A ? 103 HA 1
   ATOM 1796 HB2 D GLU A 103 ? 13.04891 -1.67977 -0.89412 0.241 14.04209 H ? A ? 103 HB2 1
   ATOM 1797 HB3 D GLU A 103 ? 12.31744 -2.97377 -0.33204 0.241 14.04209 H ? A ? 103 HB3 1
   ATOM 1798 HG2 D GLU A 103 ? 10.83257 -2.78637 -2.24331 0.241 15.36247 H ? A ? 103 HG2 1
   ATOM 1799 HG3 D GLU A 103 ? 11.88292 -1.75141 -2.83578 0.241 15.36247 H ? A ? 103 HG3 1
   ATOM 1800 N . LEU A 104 ? 8.80308 -1.59217 -0.50847 1.000 8.33008 N ? A ? 104 N 1
   ATOM 1801 CA . LEU A 104 ? 7.51638 -2.28008 -0.39281 1.000 8.59912 C ? A ? 104 CA 1
   ATOM 1802 C . LEU A 104 ? 7.46521 -3.39628 -1.40612 1.000 9.90292 C ? A ? 104 C 1
   ATOM 1803 O . LEU A 104 ? 7.51804 -3.17357 -2.60727 1.000 10.44455 O ? A ? 104 O 1
   ATOM 1804 CB . LEU A 104 ? 6.34726 -1.30245 -0.65015 1.000 9.77980 C ? A ? 104 CB 1
   ATOM 1805 CG . LEU A 104 ? 4.95219 -1.91373 -0.57048 1.000 9.89815 C ? A ? 104 CG 1
   ATOM 1806 CD1 . LEU A 104 ? 4.68814 -2.51637 0.77823 1.000 10.21143 C ? A ? 104 CD1 1
   ATOM 1807 CD2 . LEU A 104 ? 3.90536 -0.85964 -0.93461 1.000 11.82555 C ? A ? 104 CD2 1
   ATOM 1808 HA . LEU A 104 ? 7.41165 -2.63742 0.50287 1.000 10.29586 H ? A ? 104 HA 1
   ATOM 1809 HB2 . LEU A 104 ? 6.39129 -0.59422 0.01120 1.000 11.71267 H ? A ? 104 HB2 1
   ATOM 1810 HB3 . LEU A 104 ? 6.45058 -0.93178 -1.54056 1.000 11.71267 H ? A ? 104 HB3 1
   ATOM 1811 HG . LEU A 104 ? 4.88536 -2.64092 -1.20894 1.000 11.85470 H ? A ? 104 HG 1
   ATOM 1812 HD11 . LEU A 104 ? 3.74963 -2.75365 0.83984 1.000 12.23063 H ? A ? 104 HD11 1
   ATOM 1813 HD12 . LEU A 104 ? 5.23730 -3.30906 0.88293 1.000 12.23063 H ? A ? 104 HD12 1
   ATOM 1814 HD13 . LEU A 104 ? 4.91078 -1.86686 1.46341 1.000 12.23063 H ? A ? 104 HD13 1
   ATOM 1815 HD21 . LEU A 104 ? 3.08317 -1.30628 -1.19038 1.000 14.16758 H ? A ? 104 HD21 1
   ATOM 1816 HD22 . LEU A 104 ? 3.74753 -0.29196 -0.16407 1.000 14.16758 H ? A ? 104 HD22 1
   ATOM 1817 HD23 . LEU A 104 ? 4.23699 -0.32779 -1.67492 1.000 14.16758 H ? A ? 104 HD23 1
   ATOM 1818 H A LEU A 104 ? 8.79641 -0.91767 -1.04196 0.759 9.97302 H ? A ? 104 H 1
   ATOM 1819 H D LEU A 104 ? 8.77964 -0.88461 -0.99674 0.241 9.97302 H ? A ? 104 H 1
   ATOM 1820 N B LEU A 105 ? 7.39494 -4.61670 -0.89625 0.529 9.38521 N ? A ? 105 N 1
   ATOM 1821 CA B LEU A 105 ? 7.47056 -5.80005 -1.73534 0.529 8.70193 C ? A ? 105 CA 1
   ATOM 1822 C B LEU A 105 ? 6.09680 -6.26305 -2.19212 0.529 9.90284 C ? A ? 105 C 1
   ATOM 1823 O B LEU A 105 ? 5.91409 -6.61445 -3.36363 0.529 13.78827 O ? A ? 105 O 1
   ATOM 1824 CB B LEU A 105 ? 8.16320 -6.91395 -0.95122 0.529 8.96446 C ? A ? 105 CB 1
   ATOM 1825 CG B LEU A 105 ? 9.49807 -6.54815 -0.29238 0.529 8.84790 C ? A ? 105 CG 1
   ATOM 1826 CD1 B LEU A 105 ? 9.97749 -7.68002 0.60910 0.529 10.67699 C ? A ? 105 CD1 1
   ATOM 1827 CD2 B LEU A 105 ? 10.52788 -6.23117 -1.35853 0.529 13.11506 C ? A ? 105 CD2 1
   ATOM 1828 H B LEU A 105 ? 7.30248 -4.78740 -0.05845 0.529 11.23916 H ? A ? 105 H 1
   ATOM 1829 HA B LEU A 105 ? 7.99314 -5.60778 -2.52960 0.529 10.41923 H ? A ? 105 HA 1
   ATOM 1830 HB2 B LEU A 105 ? 7.56465 -7.20257 -0.24459 0.529 10.73427 H ? A ? 105 HB2 1
   ATOM 1831 HB3 B LEU A 105 ? 8.33628 -7.64887 -1.56019 0.529 10.73427 H ? A ? 105 HB3 1
   ATOM 1832 HG B LEU A 105 ? 9.38201 -5.76112 0.26262 0.529 10.59440 H ? A ? 105 HG 1
   ATOM 1833 HD11 B LEU A 105 ? 10.84158 -7.44325 0.98085 0.529 12.78930 H ? A ? 105 HD11 1
   ATOM 1834 HD12 B LEU A 105 ? 9.33412 -7.80886 1.32350 0.529 12.78930 H ? A ? 105 HD12 1
   ATOM 1835 HD13 B LEU A 105 ? 10.05475 -8.49143 0.08322 0.529 12.78930 H ? A ? 105 HD13 1
   ATOM 1836 HD21 B LEU A 105 ? 11.38185 -6.05962 -0.93166 0.529 15.71499 H ? A ? 105 HD21 1
   ATOM 1837 HD22 B LEU A 105 ? 10.60452 -6.98921 -1.95887 0.529 15.71499 H ? A ? 105 HD22 1
   ATOM 1838 HD23 B LEU A 105 ? 10.24093 -5.44656 -1.85143 0.529 15.71499 H ? A ? 105 HD23 1
   ATOM 1839 N C LEU A 105 ? 7.38204 -4.61584 -0.89801 0.471 9.40264 N ? A ? 105 N 1
   ATOM 1840 CA C LEU A 105 ? 7.47677 -5.78585 -1.75054 0.471 8.57832 C ? A ? 105 CA 1
   ATOM 1841 C C LEU A 105 ? 6.12256 -6.32107 -2.17266 0.471 9.71300 C ? A ? 105 C 1
   ATOM 1842 O C LEU A 105 ? 5.99715 -6.88055 -3.26578 0.471 11.19762 O ? A ? 105 O 1
   ATOM 1843 CB C LEU A 105 ? 8.22239 -6.88939 -1.00857 0.471 9.27535 C ? A ? 105 CB 1
   ATOM 1844 CG C LEU A 105 ? 9.67451 -6.62708 -0.61962 0.471 12.73537 C ? A ? 105 CG 1
   ATOM 1845 CD1 C LEU A 105 ? 10.16543 -7.80294 0.22180 0.471 14.58965 C ? A ? 105 CD1 1
   ATOM 1846 CD2 C LEU A 105 ? 10.51499 -6.43771 -1.85303 0.471 11.78707 C ? A ? 105 CD2 1
   ATOM 1847 H C LEU A 105 ? 7.27090 -4.79119 -0.06344 0.471 11.26009 H ? A ? 105 H 1
   ATOM 1848 HA C LEU A 105 ? 7.96944 -5.54955 -2.55200 0.471 10.27090 H ? A ? 105 HA 1
   ATOM 1849 HB2 C LEU A 105 ? 7.74079 -7.07033 -0.18624 0.471 11.10734 H ? A ? 105 HB2 1
   ATOM 1850 HB3 C LEU A 105 ? 8.22212 -7.67787 -1.57355 0.471 11.10734 H ? A ? 105 HB3 1
   ATOM 1851 HG C LEU A 105 ? 9.75514 -5.81419 -0.09656 0.471 15.25936 H ? A ? 105 HG 1
   ATOM 1852 HD11 C LEU A 105 ? 11.08532 -7.64150 0.48381 0.471 17.48450 H ? A ? 105 HD11 1
   ATOM 1853 HD12 C LEU A 105 ? 9.60601 -7.88241 1.01024 0.471 17.48450 H ? A ? 105 HD12 1
   ATOM 1854 HD13 C LEU A 105 ? 10.10956 -8.61448 -0.30658 0.471 17.48450 H ? A ? 105 HD13 1
   ATOM 1855 HD21 C LEU A 105 ? 11.44872 -6.38997 -1.59464 0.471 14.12140 H ? A ? 105 HD21 1
   ATOM 1856 HD22 C LEU A 105 ? 10.37481 -7.18988 -2.44925 0.471 14.12140 H ? A ? 105 HD22 1
   ATOM 1857 HD23 C LEU A 105 ? 10.25069 -5.61402 -2.29187 0.471 14.12140 H ? A ? 105 HD23 1
   ATOM 1858 N B ARG A 106 ? 5.11975 -6.24288 -1.29593 0.529 10.19180 N ? A ? 106 N 1
   ATOM 1859 CA B ARG A 106 ? 3.81476 -6.81266 -1.59051 0.529 10.27943 C ? A ? 106 CA 1
   ATOM 1860 C B ARG A 106 ? 2.78246 -6.26416 -0.62559 0.529 11.15484 C ? A ? 106 C 1
   ATOM 1861 O B ARG A 106 ? 3.10684 -5.86879 0.48928 0.529 9.53740 O ? A ? 106 O 1
   ATOM 1862 CB B ARG A 106 ? 3.89523 -8.34468 -1.47099 0.529 16.41986 C ? A ? 106 CB 1
   ATOM 1863 CG B ARG A 106 ? 2.63584 -9.11282 -1.79514 0.529 23.14903 C ? A ? 106 CG 1
   ATOM 1864 CD B ARG A 106 ? 2.95606 -10.61012 -1.87718 0.529 26.86323 C ? A ? 106 CD 1
   ATOM 1865 NE B ARG A 106 ? 3.37736 -11.19868 -0.60644 0.529 23.04374 N ? A ? 106 NE 1
   ATOM 1866 CZ B ARG A 106 ? 4.63067 -11.51779 -0.29668 0.529 26.01450 C ? A ? 106 CZ 1
   ATOM 1867 NH1 B ARG A 106 ? 5.62943 -11.32144 -1.14426 0.529 30.61935 N ? A ? 106 NH1 1
   ATOM 1868 NH2 B ARG A 106 ? 4.88909 -12.05652 0.89239 0.529 32.97448 N ? A ? 106 NH2 1
   ATOM 1869 H B ARG A 106 ? 5.18810 -5.90414 -0.50841 0.529 12.20708 H ? A ? 106 H 1
   ATOM 1870 HA B ARG A 106 ? 3.53013 -6.55828 -2.48224 0.529 12.31223 H ? A ? 106 HA 1
   ATOM 1871 HB2 B ARG A 106 ? 4.58380 -8.65833 -2.07795 0.529 19.68075 H ? A ? 106 HB2 1
   ATOM 1872 HB3 B ARG A 106 ? 4.13426 -8.56326 -0.55667 0.529 19.68075 H ? A ? 106 HB3 1
   ATOM 1873 HG2 B ARG A 106 ? 1.97589 -8.97140 -1.09845 0.529 27.75576 H ? A ? 106 HG2 1
   ATOM 1874 HG3 B ARG A 106 ? 2.28333 -8.82062 -2.65028 0.529 27.75576 H ? A ? 106 HG3 1
   ATOM 1875 HD2 B ARG A 106 ? 2.16190 -11.08283 -2.17172 0.529 32.21279 H ? A ? 106 HD2 1
   ATOM 1876 HD3 B ARG A 106 ? 3.67530 -10.74037 -2.51485 0.529 32.21279 H ? A ? 106 HD3 1
   ATOM 1877 HE B ARG A 106 ? 2.77022 -11.34947 -0.01632 0.529 27.62941 H ? A ? 106 HE 1
   ATOM 1878 HH11 B ARG A 106 ? 5.47568 -10.97928 -1.91814 0.529 36.72014 H ? A ? 106 HH11 1
   ATOM 1879 HH12 B ARG A 106 ? 6.43163 -11.53611 -0.92069 0.529 36.72014 H ? A ? 106 HH12 1
   ATOM 1880 HH21 B ARG A 106 ? 4.24922 -12.19451 1.45018 0.529 39.54629 H ? A ? 106 HH21 1
   ATOM 1881 HH22 B ARG A 106 ? 5.69597 -12.26668 1.10305 0.529 39.54629 H ? A ? 106 HH22 1
   ATOM 1882 N C ARG A 106 ? 5.11136 -6.17920 -1.33204 0.471 10.51867 N ? A ? 106 N 1
   ATOM 1883 CA C ARG A 106 ? 3.81596 -6.77546 -1.61671 0.471 9.84344 C ? A ? 106 CA 1
   ATOM 1884 C C ARG A 106 ? 2.78533 -6.24997 -0.63623 0.471 10.94597 C ? A ? 106 C 1
   ATOM 1885 O C ARG A 106 ? 3.11435 -5.86719 0.48221 0.471 9.53113 O ? A ? 106 O 1
   ATOM 1886 CB C ARG A 106 ? 3.90218 -8.31076 -1.52648 0.471 16.92974 C ? A ? 106 CB 1
   ATOM 1887 CG C ARG A 106 ? 2.56790 -9.04330 -1.44361 0.471 19.73328 C ? A ? 106 CG 1
   ATOM 1888 CD C ARG A 106 ? 2.77691 -10.55434 -1.55908 0.471 25.49829 C ? A ? 106 CD 1
   ATOM 1889 NE C ARG A 106 ? 3.78718 -11.04507 -0.62698 0.471 24.75838 N ? A ? 106 NE 1
   ATOM 1890 CZ C ARG A 106 ? 5.05994 -11.24130 -0.94465 0.471 27.81157 C ? A ? 106 CZ 1
   ATOM 1891 NH1 C ARG A 106 ? 5.50110 -11.04741 -2.17537 0.471 31.47617 N ? A ? 106 NH1 1
   ATOM 1892 NH2 C ARG A 106 ? 5.91130 -11.64041 -0.00571 0.471 23.50092 N ? A ? 106 NH2 1
   ATOM 1893 H C ARG A 106 ? 5.14897 -5.74348 -0.59154 0.471 12.59932 H ? A ? 106 H 1
   ATOM 1894 HA C ARG A 106 ? 3.52772 -6.51821 -2.50646 0.471 11.78905 H ? A ? 106 HA 1
   ATOM 1895 HB2 C ARG A 106 ? 4.36108 -8.63678 -2.31643 0.471 20.29261 H ? A ? 106 HB2 1
   ATOM 1896 HB3 C ARG A 106 ? 4.40699 -8.54101 -0.73083 0.471 20.29261 H ? A ? 106 HB3 1
   ATOM 1897 HG2 C ARG A 106 ? 2.14578 -8.85415 -0.59100 0.471 23.65685 H ? A ? 106 HG2 1
   ATOM 1898 HG3 C ARG A 106 ? 1.99309 -8.75462 -2.16967 0.471 23.65685 H ? A ? 106 HG3 1
   ATOM 1899 HD2 C ARG A 106 ? 1.94135 -11.00700 -1.36457 0.471 30.57486 H ? A ? 106 HD2 1
   ATOM 1900 HD3 C ARG A 106 ? 3.06791 -10.76749 -2.45952 0.471 30.57486 H ? A ? 106 HD3 1
   ATOM 1901 HE C ARG A 106 ? 3.54179 -11.21786 0.17895 0.471 29.68697 H ? A ? 106 HE 1
   ATOM 1902 HH11 C ARG A 106 ? 4.95897 -10.78839 -2.79068 0.471 37.74833 H ? A ? 106 HH11 1
   ATOM 1903 HH12 C ARG A 106 ? 6.33028 -11.18027 -2.36086 0.471 37.74833 H ? A ? 106 HH12 1
   ATOM 1904 HH21 C ARG A 106 ? 5.63519 -11.76890 0.79856 0.471 28.17802 H ? A ? 106 HH21 1
   ATOM 1905 HH22 C ARG A 106 ? 6.73840 -11.77023 -0.20230 0.471 28.17802 H ? A ? 106 HH22 1
   ATOM 1906 N . VAL A 107 ? 1.53404 -6.23845 -1.08125 1.000 12.36640 N ? A ? 107 N 1
   ATOM 1907 CA . VAL A 107 ? 0.38149 -5.97162 -0.23456 1.000 13.14492 C ? A ? 107 CA 1
   ATOM 1908 C . VAL A 107 ? -0.42651 -7.26012 -0.18228 1.000 14.11800 C ? A ? 107 C 1
   ATOM 1909 O . VAL A 107 ? -0.61127 -7.92568 -1.20853 1.000 14.44230 O ? A ? 107 O 1
   ATOM 1910 CB . VAL A 107 ? -0.47807 -4.82455 -0.79187 1.000 15.79281 C ? A ? 107 CB 1
   ATOM 1911 CG1 . VAL A 107 ? -1.74736 -4.65319 0.04842 1.000 28.87785 C ? A ? 107 CG1 1
   ATOM 1912 CG2 . VAL A 107 ? 0.33976 -3.54113 -0.84397 1.000 17.45184 C ? A ? 107 CG2 1
   ATOM 1913 HA . VAL A 107 ? 0.67087 -5.72036 0.65652 1.000 15.75082 H ? A ? 107 HA 1
   ATOM 1914 HB . VAL A 107 ? -0.75723 -5.03427 -1.69685 1.000 18.92829 H ? A ? 107 HB 1
   ATOM 1915 HG11 . VAL A 107 ? -2.19165 -3.83197 -0.21445 1.000 34.63033 H ? A ? 107 HG11 1
   ATOM 1916 HG12 . VAL A 107 ? -2.33332 -5.41051 -0.10655 1.000 34.63033 H ? A ? 107 HG12 1
   ATOM 1917 HG13 . VAL A 107 ? -1.50213 -4.61112 0.98597 1.000 34.63033 H ? A ? 107 HG13 1
   ATOM 1918 HG21 . VAL A 107 ? -0.23420 -2.81219 -1.12702 1.000 20.91913 H ? A ? 107 HG21 1
   ATOM 1919 HG22 . VAL A 107 ? 0.69615 -3.35768 0.03934 1.000 20.91913 H ? A ? 107 HG22 1
   ATOM 1920 HG23 . VAL A 107 ? 1.06615 -3.65500 -1.47665 1.000 20.91913 H ? A ? 107 HG23 1
   ATOM 1921 H B VAL A 107 ? 1.32545 -6.37734 -1.90392 0.529 14.81659 H ? A ? 107 H 1
   ATOM 1922 H C VAL A 107 ? 1.32153 -6.38822 -1.90101 0.471 14.81659 H ? A ? 107 H 1
   ATOM 1923 N . GLU A 108 ? -0.87690 -7.62551 1.01151 1.000 16.71871 N ? A ? 108 N 1
   ATOM 1924 CA . GLU A 108 ? -1.68314 -8.84290 1.17728 1.000 17.56297 C ? A ? 108 CA 1
   ATOM 1925 C . GLU A 108 ? -2.93225 -8.63597 2.02871 1.000 33.26355 C ? A ? 108 C 1
   ATOM 1926 O . GLU A 108 ? -3.20140 -7.53727 2.51702 1.000 26.50357 O ? A ? 108 O 1
   ATOM 1927 CB . GLU A 108 ? -0.87983 -9.95186 1.83405 1.000 21.52715 C ? A ? 108 CB 1
   ATOM 1928 CG . GLU A 108 ? 0.45862 -10.26128 1.25603 1.000 29.11275 C ? A ? 108 CG 1
   ATOM 1929 CD . GLU A 108 ? 1.16874 -11.32774 2.08205 1.000 26.02080 C ? A ? 108 CD 1
   ATOM 1930 OE1 . GLU A 108 ? 0.78683 -11.53172 3.24333 1.000 44.19895 O ? A ? 108 OE1 1
   ATOM 1931 OE2 . GLU A 108 ? 2.08657 -11.97598 1.58280 1.000 34.13297 O ? A ? 108 OE2 1
   ATOM 1932 H . GLU A 108 ? -0.73358 -7.19238 1.74052 1.000 20.03937 H ? A ? 108 H 1
   ATOM 1933 HA . GLU A 108 ? -1.95404 -9.10057 0.28222 1.000 21.05248 H ? A ? 108 HA 1
   ATOM 1934 HB2 . GLU A 108 ? -0.73529 -9.70602 2.76118 1.000 25.80950 H ? A ? 108 HB2 1
   ATOM 1935 HB3 . GLU A 108 ? -1.40239 -10.76758 1.78472 1.000 25.80950 H ? A ? 108 HB3 1
   ATOM 1936 HG2 . GLU A 108 ? 0.35179 -10.59254 0.35062 1.000 34.91221 H ? A ? 108 HG2 1
   ATOM 1937 HG3 . GLU A 108 ? 1.00380 -9.45899 1.25360 1.000 34.91221 H ? A ? 108 HG3 1
   HETATM 1938 C1 . MPO A 109 ? 10.52805 -5.37618 13.62714 1.000 25.29433 C ? B ? . C1 1
   HETATM 1939 C2 . MPO A 109 ? 10.57136 -3.94833 14.11337 1.000 22.56971 C ? B ? . C2 1
   HETATM 1940 C3 . MPO A 109 ? 9.75857 -3.12458 13.13446 1.000 19.78234 C ? B ? . C3 1
   HETATM 1941 C4 . MPO A 109 ? 8.88801 -1.48103 14.57349 1.000 19.47749 C ? B ? . C4 1
   HETATM 1942 C5 . MPO A 109 ? 8.74615 -0.00399 14.86785 1.000 21.29529 C ? B ? . C5 1
   HETATM 1943 C6 . MPO A 109 ? 9.19898 0.52393 12.71793 1.000 16.57989 C ? B ? . C6 1
   HETATM 1944 C7 . MPO A 109 ? 9.31312 -0.93757 12.33364 1.000 18.05200 C ? B ? . C7 1
   HETATM 1945 N1 . MPO A 109 ? 9.79543 -1.72637 13.46063 1.000 18.86659 N ? B ? . N1 1
   HETATM 1946 O1 . MPO A 109 ? 11.93886 -6.14484 15.72342 1.000 32.89486 O ? B ? . O1 1
   HETATM 1947 O2 . MPO A 109 ? 11.10463 -7.84482 14.29096 1.000 46.59659 O ? B ? . O2 1
   HETATM 1948 O3 . MPO A 109 ? 9.55334 -6.56191 15.76163 1.000 44.04817 O ? B ? . O3 1
   HETATM 1949 O4 . MPO A 109 ? 8.24408 0.66474 13.74272 1.000 18.28015 O ? B ? . O4 1
   HETATM 1950 S1 . MPO A 109 ? 10.76974 -6.57045 14.93596 1.000 45.43431 S ? B ? . S1 1
   HETATM 1951 H11 . MPO A 109 ? 11.21747 -5.54039 12.96485 1.000 30.33011 H ? B ? . H11 1
   HETATM 1952 H12 . MPO A 109 ? 9.67367 -5.57872 13.21494 1.000 30.33011 H ? B ? . H12 1
   HETATM 1953 H21 . MPO A 109 ? 10.20042 -3.87008 15.00622 1.000 27.06057 H ? B ? . H21 1
   HETATM 1954 H22 . MPO A 109 ? 11.48270 -3.61851 14.15323 1.000 27.06057 H ? B ? . H22 1
   HETATM 1955 H31 . MPO A 109 ? 8.84512 -3.45096 13.13324 1.000 23.71572 H ? B ? . H31 1
   HETATM 1956 H32 . MPO A 109 ? 10.09985 -3.27547 12.23911 1.000 23.71572 H ? B ? . H32 1
   HETATM 1957 H41 . MPO A 109 ? 8.00653 -1.83778 14.38212 1.000 23.34991 H ? B ? . H41 1
   HETATM 1958 H42 . MPO A 109 ? 9.20501 -1.92108 15.37771 1.000 23.34991 H ? B ? . H42 1
   HETATM 1959 H51 . MPO A 109 ? 8.13848 0.14644 15.60880 1.000 25.53126 H ? B ? . H51 1
   HETATM 1960 H52 . MPO A 109 ? 9.60240 0.38854 15.09945 1.000 25.53126 H ? B ? . H52 1
   HETATM 1961 H61 . MPO A 109 ? 8.92287 1.06369 11.96075 1.000 19.87279 H ? B ? . H61 1
   HETATM 1962 H62 . MPO A 109 ? 10.04799 0.86884 13.03592 1.000 19.87279 H ? B ? . H62 1
   HETATM 1963 H71 . MPO A 109 ? 9.91380 -1.01527 11.57599 1.000 21.63932 H ? B ? . H71 1
   HETATM 1964 H72 . MPO A 109 ? 8.44391 -1.25192 12.03942 1.000 21.63932 H ? B ? . H72 1
   HETATM 1965 O1 . SO4 A 110 ? -5.67113 -9.32288 16.05010 1.000 86.94520 O ? C ? . O1 1
   HETATM 1966 O2 . SO4 A 110 ? -6.63463 -8.97578 13.82210 1.000 68.89479 O ? C ? . O2 1
   HETATM 1967 O3 . SO4 A 110 ? -8.00081 -9.89691 15.60769 1.000 58.22137 O ? C ? . O3 1
   HETATM 1968 O4 . SO4 A 110 ? -7.30787 -7.54224 15.70257 1.000 59.44327 O ? C ? . O4 1
   HETATM 1969 S . SO4 A 110 ? -6.90354 -8.92934 15.29611 1.000 55.01624 S ? C ? . S 1
   HETATM 1970 O . HOH A 113 ? 19.96922 -2.13574 17.62388 1.000 31.26779 O ? D ? . O 1
   HETATM 1972 O . HOH A 116 ? -2.11818 4.72422 7.39910 0.983 28.26301 O ? D ? . O 1
   HETATM 1974 O . HOH A 118 ? 15.34090 14.86773 16.28655 1.000 27.95815 O ? D ? . O 1
   HETATM 1979 O . HOH A 132 ? 0.60614 -1.17930 12.23656 1.000 14.29054 O ? D ? . O 1
   HETATM 1980 O . HOH A 133 ? 17.81783 12.88789 15.63583 0.916 26.30520 O ? D ? . O 1
   HETATM 1981 O . HOH A 134 ? 13.26821 8.37198 20.52488 1.000 22.18417 O ? D ? . O 1
   HETATM 1982 O . HOH A 135 ? 6.43316 5.69773 -7.09640 0.983 33.16003 O ? D ? . O 1
   HETATM 1983 O . HOH A 136 ? 21.08915 -3.70383 23.48236 1.000 23.42589 O ? D ? . O 1
   HETATM 1984 O . HOH A 137 ? 12.10797 -9.56710 9.08107 0.785 19.30008 O ? D ? . O 1
   HETATM 1985 O . HOH A 138 ? 2.96319 9.78798 -11.20596 1.000 18.14527 O ? D ? . O 1
   HETATM 1986 O . HOH A 139 ? 12.44416 8.15204 17.96451 1.000 20.94622 O ? D ? . O 1
   HETATM 1987 O . HOH A 140 ? 18.32292 4.23026 6.82959 1.000 26.58818 O ? D ? . O 1
   HETATM 1989 O . HOH A 142 ? -0.87087 7.98830 5.01079 0.834 20.45039 O ? D ? . O 1
   HETATM 1990 O . HOH A 143 ? 7.44672 -10.31570 9.82076 1.000 21.56660 O ? D ? . O 1
   HETATM 1991 O . HOH A 144 ? 5.08970 6.45087 16.82810 1.000 19.75514 O ? D ? . O 1
   HETATM 1992 O . HOH A 145 ? 19.91176 1.18736 3.38387 0.650 29.25498 O ? D ? . O 1
   HETATM 1993 O . HOH A 146 ? 12.53567 -0.92011 13.61391 0.921 18.48221 O ? D ? . O 1
   HETATM 1994 O . HOH A 147 ? 10.49290 11.95799 -3.56979 1.000 24.97558 O ? D ? . O 1
   HETATM 1995 O . HOH A 148 ? 3.42176 5.19824 -13.12116 0.609 23.32667 O ? D ? . O 1
   HETATM 1997 O . HOH A 150 ? -3.82817 -8.61997 9.20716 1.000 30.20115 O ? D ? . O 1
   HETATM 1998 O . HOH A 151 ? 19.41554 9.07371 0.60201 1.000 31.57539 O ? D ? . O 1
   HETATM 2000 O . HOH A 153 ? -2.75784 4.20825 -10.59380 0.866 25.93382 O ? D ? . O 1
   HETATM 2001 O . HOH A 154 ? 1.41533 3.35941 14.49906 0.825 24.12673 O ? D ? . O 1
   HETATM 2004 O . HOH A 157 ? 20.33347 3.17569 5.39377 0.849 29.21699 O ? D ? . O 1
   HETATM 2005 O . HOH A 158 ? -4.08074 0.31788 -4.20720 0.941 24.01740 O ? D ? . O 1
   HETATM 2007 O . HOH A 161 ? 10.52751 14.22790 -2.10685 0.981 26.10982 O ? D ? . O 1
   HETATM 2008 O . HOH A 162 ? -4.32050 -2.33920 -1.88957 0.996 31.56884 O ? D ? . O 1
   HETATM 2010 O . HOH A 165 ? -7.49730 -4.57199 10.72633 0.874 22.76715 O ? D ? . O 1
   HETATM 2011 O . HOH A 166 ? 10.11128 14.15857 9.18289 1.000 24.50035 O ? D ? . O 1
   HETATM 2013 O . HOH A 168 ? 3.97093 -6.73791 12.54603 0.978 35.34207 O ? D ? . O 1
   HETATM 2014 O . HOH A 169 ? 3.64464 8.87408 -7.27264 0.710 22.80685 O ? D ? . O 1
   HETATM 2016 O . HOH A 171 ? 20.05135 8.49298 9.17888 0.973 41.88184 O ? D ? . O 1
   HETATM 2018 O . HOH A 173 ? 3.60023 13.46800 8.49112 0.998 31.36025 O ? D ? . O 1
   HETATM 2019 O . HOH A 174 ? 8.66703 13.91879 -0.16096 0.943 27.53475 O ? D ? . O 1
   HETATM 2021 O . HOH A 176 ? 21.68932 -2.91900 14.99037 1.000 37.65928 O ? D ? . O 1
   HETATM 2022 O . HOH A 177 ? -6.02797 3.66065 3.80861 0.811 30.64102 O ? D ? . O 1
   HETATM 2023 O . HOH A 178 ? 5.84638 -9.43721 11.57743 0.911 33.44660 O ? D ? . O 1
   HETATM 2026 O . HOH A 182 ? 8.12709 -13.67369 2.48117 0.990 46.21927 O ? D ? . O 1
   HETATM 2027 O . HOH A 183 ? 12.78549 -0.19623 16.10896 0.950 28.35083 O ? D ? . O 1
   HETATM 2029 O . HOH A 186 ? 5.73305 8.29286 -2.43085 1.000 37.43785 O ? D ? . O 1
   HETATM 2030 O . HOH A 188 ? 12.49242 15.60326 -1.17942 1.000 20.83780 O ? D ? . O 1
   HETATM 2032 O . HOH A 190 ? 10.78862 11.40920 28.16196 0.758 25.37817 O ? D ? . O 1
   HETATM 2034 O . HOH A 192 ? 15.48254 -3.02114 -1.06188 1.000 26.85092 O ? D ? . O 1
   HETATM 2036 O . HOH A 194 ? 2.84854 7.56549 -5.30173 0.634 18.75734 O ? D ? . O 1
   HETATM 2038 O . HOH A 197 ? 20.34763 -4.37001 12.55395 0.917 26.03168 O ? D ? . O 1
   HETATM 2039 O . HOH A 198 ? -2.11345 -12.11382 4.40170 0.995 39.07527 O ? D ? . O 1
   HETATM 2041 O . HOH A 200 ? 3.69140 12.50754 5.17172 0.918 18.63739 O ? D ? . O 1
   HETATM 2042 O . HOH A 201 ? 5.77213 12.23605 2.46841 0.885 20.27029 O ? D ? . O 1
   HETATM 2053 O . HOH A 218 ? 7.29102 14.25902 2.09930 1.000 36.75077 O ? D ? . O 1
   HETATM 2059 O . HOH A 233 ? 18.38570 9.89099 15.58845 0.821 26.75109 O ? D ? . O 1
   HETATM 2061 O . HOH A 235 ? 4.34347 5.32870 -5.36528 0.923 19.39478 O ? D ? . O 1
   HETATM 2062 O . HOH A 236 ? 6.20352 -2.74646 -8.91127 0.697 21.29136 O ? D ? . O 1
   HETATM 2064 O . HOH A 239 ? -0.03264 -8.01953 11.50868 1.000 39.64462 O ? D ? . O 1
   HETATM 2268 O . HOH S 240 ? 10.28083 -10.60232 10.39307 1.000 34.28789 O ? E ? . O 1
   HETATM 2270 O . HOH S 242 ? -2.89002 6.72988 5.67869 0.873 31.73502 O ? E ? . O 1
   HETATM 2272 O . HOH S 244 ? 14.18941 5.85721 28.42394 0.862 25.43096 O ? E ? . O 1
   HETATM 2273 O . HOH S 245 ? 9.67449 -9.52424 13.24839 1.000 32.47160 O ? E ? . O 1
   HETATM 2276 O . HOH S 248 ? 1.74582 11.76791 7.22191 0.677 24.19409 O ? E ? . O 1
   HETATM 2277 O . HOH S 249 ? -2.54222 4.68969 9.89035 0.898 35.15503 O ? E ? . O 1
   HETATM 2278 O . HOH S 250 ? -3.09794 -1.84487 -8.55461 0.482 21.88055 O ? E ? . O 1
   HETATM 2281 O . HOH S 253 ? -7.70353 -6.07411 4.26511 0.979 32.21095 O ? E ? . O 1
   HETATM 2284 O . HOH S 256 ? 14.06641 -5.80562 -1.02043 0.399 17.41214 O ? E ? . O 1
   HETATM 2287 O . HOH S 259 ? 8.75011 4.75655 23.47756 0.634 28.94083 O ? E ? . O 1
   HETATM 2288 O . HOH S 260 ? 13.54186 -2.23224 17.43180 1.000 42.90149 O ? E ? . O 1
   HETATM 2299 O . HOH S 271 ? -8.69215 -3.97857 2.46534 1.000 49.93877 O ? E ? . O 1
   HETATM 2300 O . HOH S 272 ? 9.72878 -4.57293 -4.58092 0.594 26.97393 O ? E ? . O 1
   HETATM 2301 O . HOH S 273 ? -2.04509 3.77795 -13.05155 0.797 33.74944 O ? E ? . O 1
   HETATM 2321 O . HOH S 277 ? -6.36291 -6.92849 -0.22468 0.998 38.96293 O ? F ? . O 1
   HETATM 2326 O . HOH S 282 ? -1.68887 4.35771 13.32050 1.000 33.75061 O ? F ? . O 1
   HETATM 2342 O . HOH S 298 ? -5.38565 -0.11025 -7.93339 0.999 39.84222 O ? F ? . O 1
   HETATM 2344 O . HOH S 300 ? 17.58062 -2.88738 24.29614 0.422 22.48834 O ? F ? . O 1
   HETATM 2349 O . HOH S 302 ? 6.96199 10.48940 -1.82289 0.753 31.56210 O ? G ? . O 1
   HETATM 2353 O . HOH S 306 ? 3.44454 8.41465 17.60283 0.474 22.18525 O ? G ? . O 1
   HETATM 2354 O . HOH S 307 ? 17.17231 -14.44752 9.23107 0.627 25.43616 O ? G ? . O 1
   HETATM 2357 O . HOH S 310 ? 8.30433 -0.48483 18.51223 0.568 25.41834 O ? G ? . O 1
   HETATM 2365 O . HOH S 318 ? -2.32733 -7.95846 12.61065 0.678 33.34572 O ? G ? . O 1
   HETATM 2371 O . HOH S 324 ? 8.15374 -5.25697 17.46521 0.716 34.97426 O ? G ? . O 1
   HETATM 2387 O . HOH S 333 ? 6.08632 7.84224 20.75013 1.000 39.06076 O ? H ? . O 1
   HETATM 2406 O . HOH S 352 ? 8.44161 10.75060 -3.90153 0.281 20.98231 O ? H ? . O 1
   HETATM 2412 O . HOH S 358 ? -1.87642 6.37760 11.78105 0.582 31.66289 O ? H ? . O 1
   HETATM 2435 O . HOH S 381 ? 21.88194 -11.15245 5.60132 0.496 32.90844 O ? I ? . O 1
   HETATM 2436 O . HOH S 382 ? 5.62530 10.17469 20.60769 0.693 37.47875 O ? I ? . O 1
   HETATM 2438 O . HOH S 384 ? -1.81255 8.47523 12.45747 0.367 38.16947 O ? I ? . O 1
   HETATM 2440 O . HOH S 386 ? -2.12982 -11.25640 9.01382 0.754 35.29323 O ? I ? . O 1
   HETATM 2441 O . HOH S 387 ? -0.46220 -3.25192 -9.46133 0.299 23.59785 O ? I ? . O 1

data_comp_MPO
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
   MPO S1 S S 0 1.402 -0.0196 0.1763 3.1920
   MPO O1 O OS 0 -0.772 -0.1610 1.6460 3.1429
   MPO O2 O OS 0 -0.773 1.3872 -0.2697 3.1157
   MPO O4 O O2 0 -0.486 0.5689 0.0030 -4.7292
   MPO N1 N NT 0 -0.427 -0.3765 0.0854 -2.0467
   MPO C1 C CH2 0 -0.632 -0.8139 -0.4453 1.7002
   MPO O3 O OS -1 -0.770 -0.7565 -0.4398 4.3140
   MPO C2 C CH2 0 -0.451 -0.2000 0.1085 0.4258
   MPO C3 C CH2 0 -0.251 -0.8921 -0.4608 -0.8064
   MPO C4 C CH2 0 -0.303 -1.2709 -0.1655 -3.1617
   MPO C5 C CH2 0 -0.188 -0.7246 0.4756 -4.4232
   MPO C6 C CH2 0 -0.185 1.4508 0.2271 -3.6517
   MPO C7 C CH2 0 -0.310 0.9486 -0.4111 -2.3707
   MPO H11 H HCH2 0 0.258 -0.7379 -1.5350 1.7311
   MPO H12 H HCH2 0 0.258 -1.8735 -0.1879 1.7701
   MPO H21 H HCH2 0 0.232 -0.2900 1.1965 0.4107
   MPO H22 H HCH2 0 0.236 0.8665 -0.1257 0.4114
   MPO H31 H HCH2 0 0.191 -0.8293 -1.5631 -0.7910
   MPO H32 H HCH2 0 0.230 -1.9568 -0.2163 -0.7499
   MPO H41 H HCH2 0 0.194 -1.4221 -1.2454 -3.3343
   MPO H42 H HCH2 0 0.240 -2.2519 0.2654 -2.9454
   MPO H51 H HCH2 0 0.235 -1.3682 0.2420 -5.2730
   MPO H52 H HCH2 0 0.199 -0.7139 1.5676 -4.2969
   MPO H61 H HCH2 0 0.235 2.4164 -0.2000 -3.9262
   MPO H62 H HCH2 0 0.199 1.5925 1.3051 -3.4885
   MPO H71 H HCH2 0 0.244 1.6494 -0.1676 -1.5697
   MPO H72 H HCH2 0 0.195 0.9528 -1.5102 -2.4799

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
   MPO S1 O1 deloc 1.477 0.020 1.477
   MPO S1 O2 deloc 1.478 0.020 1.478
   MPO S1 C1 single 1.801 0.020 1.801
   MPO S1 O3 deloc 1.477 0.020 1.477
   MPO O4 C5 single 1.411 0.020 1.411
   MPO O4 C6 single 1.410 0.020 1.410
   MPO N1 C3 single 1.450 0.020 1.450
   MPO N1 C4 single 1.451 0.020 1.451
   MPO N1 C7 single 1.452 0.020 1.452
   MPO C1 C2 single 1.519 0.020 1.519
   MPO C1 H11 single 0.970 0.020 1.090
   MPO C1 H12 single 0.970 0.020 1.090
   MPO C2 C3 single 1.524 0.020 1.524
   MPO C2 H21 single 0.970 0.020 1.090
   MPO C2 H22 single 0.970 0.020 1.090
   MPO C3 H31 single 0.970 0.020 1.090
   MPO C3 H32 single 0.970 0.020 1.090
   MPO C4 C5 single 1.517 0.020 1.517
   MPO C4 H41 single 0.970 0.020 1.090
   MPO C4 H42 single 0.970 0.020 1.090
   MPO C5 H51 single 0.970 0.020 1.090
   MPO C5 H52 single 0.970 0.020 1.090
   MPO C6 C7 single 1.517 0.020 1.517
   MPO C6 H61 single 0.970 0.020 1.090
   MPO C6 H62 single 0.970 0.020 1.090
   MPO C7 H71 single 0.970 0.020 1.090
   MPO C7 H72 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
   MPO O3 S1 C1 105.38 3.000
   MPO O3 S1 O2 112.85 3.000
   MPO C1 S1 O2 105.84 3.000
   MPO O3 S1 O1 113.10 3.000
   MPO C1 S1 O1 105.88 3.000
   MPO O2 S1 O1 112.94 3.000
   MPO C6 O4 C5 110.75 3.000
   MPO C7 N1 C4 109.39 3.000
   MPO C7 N1 C3 112.75 3.000
   MPO C4 N1 C3 111.89 3.000
   MPO H12 C1 H11 107.49 3.000
   MPO H12 C1 C2 111.08 3.000
   MPO H11 C1 C2 111.04 3.000
   MPO H12 C1 S1 107.06 3.000
   MPO H11 C1 S1 106.87 3.000
   MPO C2 C1 S1 113.01 3.000
   MPO H22 C2 H21 107.10 3.000
   MPO H22 C2 C3 110.66 3.000
   MPO H21 C2 C3 108.88 3.000
   MPO H22 C2 C1 109.12 3.000
   MPO H21 C2 C1 109.97 3.000
   MPO C3 C2 C1 111.02 3.000
   MPO H32 C3 H31 106.13 3.000
   MPO H32 C3 C2 108.47 3.000
   MPO H31 C3 C2 109.63 3.000
   MPO H32 C3 N1 107.82 3.000
   MPO H31 C3 N1 111.58 3.000
   MPO C2 C3 N1 112.92 3.000
   MPO H42 C4 H41 107.08 3.000
   MPO H42 C4 C5 108.73 3.000
   MPO H41 C4 C5 109.43 3.000
   MPO H42 C4 N1 109.45 3.000
   MPO H41 C4 N1 111.94 3.000
   MPO C5 C4 N1 110.12 3.000
   MPO H52 C5 H51 107.93 3.000
   MPO H52 C5 C4 109.13 3.000
   MPO H51 C5 C4 110.17 3.000
   MPO H52 C5 O4 110.41 3.000
   MPO H51 C5 O4 107.46 3.000
   MPO C4 C5 O4 111.66 3.000
   MPO H62 C6 H61 107.89 3.000
   MPO H62 C6 C7 109.26 3.000
   MPO H61 C6 C7 109.93 3.000
   MPO H62 C6 O4 110.47 3.000
   MPO H61 C6 O4 107.40 3.000
   MPO C7 C6 O4 111.80 3.000
   MPO H72 C7 H71 106.98 3.000
   MPO H72 C7 C6 109.51 3.000
   MPO H71 C7 C6 108.26 3.000
   MPO H72 C7 N1 111.46 3.000
   MPO H71 C7 N1 110.23 3.000
   MPO C6 C7 N1 110.29 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
   MPO Var_01 N1 C4 C5 O4 57.62 30.0 1
   MPO Var_02 N1 C7 C6 O4 -56.97 30.0 1
   MPO Var_03 C6 C7 N1 C4 56.58 30.0 1
   MPO Var_04 C7 C6 O4 C5 56.64 30.0 1
   MPO Var_05 C4 N1 C3 C2 -163.80 30.0 1
   MPO Var_06 C1 C2 C3 N1 177.47 30.0 1
   MPO Var_07 C3 C2 C1 S1 179.21 30.0 3
   MPO Var_08 C2 C1 S1 O1 58.79 30.0 3
   MPO Var_09 C6 O4 C5 C4 -56.96 30.0 1
   MPO Var_10 C7 N1 C4 C5 -56.88 30.0 1
   MPO Var_11 C5 C4 N1 C3 177.45 30.0 1

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
   MPO MPO '3-morpholin-4-ylpropane-1-sulfonic acid' ligand 27 13 .

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

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

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

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

