data_model
_entry.id model
_struct.entry_id model
_struct.pdbx_model_details .
_struct.pdbx_structure_determination_methodology computational
_struct.title .
_audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/d18ba38/base/mmcif_ma-core.dic
_audit_conform.dict_name mmcif_ma.dic
_audit_conform.dict_version 1.4.6
#
loop_
_chem_comp.id
_chem_comp.type
_chem_comp.name
_chem_comp.formula
_chem_comp.formula_weight
_chem_comp.ma_provenance
ALA 'L-peptide linking' . . . 'CCD Core'
ARG 'L-peptide linking' . . . 'CCD Core'
ASN 'L-peptide linking' . . . 'CCD Core'
ASP 'L-peptide linking' . . . 'CCD Core'
CYS 'L-peptide linking' . . . 'CCD Core'
GLN 'L-peptide linking' . . . 'CCD Core'
GLU 'L-peptide linking' . . . 'CCD Core'
GLY 'L-peptide linking' . . . 'CCD Core'
HIS 'L-peptide linking' . . . 'CCD Core'
ILE 'L-peptide linking' . . . 'CCD Core'
LEU 'L-peptide linking' . . . 'CCD Core'
LYS 'L-peptide linking' . . . 'CCD Core'
PHE 'L-peptide linking' . . . 'CCD Core'
PRO 'L-peptide linking' . . . 'CCD Core'
SER 'L-peptide linking' . . . 'CCD Core'
THR 'L-peptide linking' . . . 'CCD Core'
TYR 'L-peptide linking' . . . 'CCD Core'
VAL 'L-peptide linking' . . . 'CCD Core'
#
#
loop_
_entity.id
_entity.type
_entity.src_method
_entity.pdbx_description
_entity.formula_weight
_entity.pdbx_number_of_molecules
_entity.details
1 polymer man . . 1 .
#
#
loop_
_entity_poly.entity_id
_entity_poly.type
_entity_poly.nstd_linkage
_entity_poly.nstd_monomer
_entity_poly.pdbx_strand_id
_entity_poly.pdbx_seq_one_letter_code
_entity_poly.pdbx_seq_one_letter_code_can
1 polypeptide(L) no no A
;(VAL)(SER)(PRO)(ILE)(SER)(ARG)(ASP)(GLU)(VAL)(LEU)(HIS)(LEU)(ALA)(ARG)
(LEU)(THR)(ARG)(LEU)(VAL)(LEU)(THR)(ASP)(THR)(GLU)(LEU)(ALA)(SER)(PHE)
(SER)(SER)(GLN)(LEU)(ASP)(VAL)(ILE)(LEU)(ALA)(HIS)(VAL)(SER)(GLN)(ILE)
(GLN)(ALA)(VAL)(ASP)(VAL)(THR)(GLY)(VAL)(GLU)(PRO)(THR)(ASP)(ASN)(PRO)
(LEU)(LYS)(TYR)(VAL)(ASN)(ILE)(THR)(ARG)(PRO)(ASP)(GLU)(THR)(VAL)(PRO)
(CYS)(LEU)(THR)(GLN)(GLN)(GLN)(ALA)(LEU)(ALA)(GLU)(ALA)(PRO)(GLU)(ALA)
(ILE)(TYR)(GLY)(ARG)(PHE)(VAL)(VAL)(PRO)(GLN)(ILE)(LEU)(GLY)(ASP)(ASN)
(LYS)
;

;XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX
XXXXXXXXXXXXXXXXXXXXXXXXXXXXX
;

#
#
loop_
_entity_poly_seq.entity_id
_entity_poly_seq.num
_entity_poly_seq.mon_id
_entity_poly_seq.hetero
1 1 VAL .
1 2 SER .
1 3 PRO .
1 4 ILE .
1 5 SER .
1 6 ARG .
1 7 ASP .
1 8 GLU .
1 9 VAL .
1 10 LEU .
1 11 HIS .
1 12 LEU .
1 13 ALA .
1 14 ARG .
1 15 LEU .
1 16 THR .
1 17 ARG .
1 18 LEU .
1 19 VAL .
1 20 LEU .
1 21 THR .
1 22 ASP .
1 23 THR .
1 24 GLU .
1 25 LEU .
1 26 ALA .
1 27 SER .
1 28 PHE .
1 29 SER .
1 30 SER .
1 31 GLN .
1 32 LEU .
1 33 ASP .
1 34 VAL .
1 35 ILE .
1 36 LEU .
1 37 ALA .
1 38 HIS .
1 39 VAL .
1 40 SER .
1 41 GLN .
1 42 ILE .
1 43 GLN .
1 44 ALA .
1 45 VAL .
1 46 ASP .
1 47 VAL .
1 48 THR .
1 49 GLY .
1 50 VAL .
1 51 GLU .
1 52 PRO .
1 53 THR .
1 54 ASP .
1 55 ASN .
1 56 PRO .
1 57 LEU .
1 58 LYS .
1 59 TYR .
1 60 VAL .
1 61 ASN .
1 62 ILE .
1 63 THR .
1 64 ARG .
1 65 PRO .
1 66 ASP .
1 67 GLU .
1 68 THR .
1 69 VAL .
1 70 PRO .
1 71 CYS .
1 72 LEU .
1 73 THR .
1 74 GLN .
1 75 GLN .
1 76 GLN .
1 77 ALA .
1 78 LEU .
1 79 ALA .
1 80 GLU .
1 81 ALA .
1 82 PRO .
1 83 GLU .
1 84 ALA .
1 85 ILE .
1 86 TYR .
1 87 GLY .
1 88 ARG .
1 89 PHE .
1 90 VAL .
1 91 VAL .
1 92 PRO .
1 93 GLN .
1 94 ILE .
1 95 LEU .
1 96 GLY .
1 97 ASP .
1 98 ASN .
1 99 LYS .
#
#
loop_
_struct_asym.id
_struct_asym.entity_id
_struct_asym.details
A 1 'Model subunit A'
#
#
loop_
_pdbx_poly_seq_scheme.asym_id
_pdbx_poly_seq_scheme.entity_id
_pdbx_poly_seq_scheme.seq_id
_pdbx_poly_seq_scheme.mon_id
_pdbx_poly_seq_scheme.pdb_seq_num
_pdbx_poly_seq_scheme.auth_seq_num
_pdbx_poly_seq_scheme.pdb_mon_id
_pdbx_poly_seq_scheme.auth_mon_id
_pdbx_poly_seq_scheme.pdb_strand_id
_pdbx_poly_seq_scheme.pdb_ins_code
A 1 1 VAL 1 1 VAL VAL A .
A 1 2 SER 2 2 SER SER A .
A 1 3 PRO 3 3 PRO PRO A .
A 1 4 ILE 4 4 ILE ILE A .
A 1 5 SER 5 5 SER SER A .
A 1 6 ARG 6 6 ARG ARG A .
A 1 7 ASP 7 7 ASP ASP A .
A 1 8 GLU 8 8 GLU GLU A .
A 1 9 VAL 9 9 VAL VAL A .
A 1 10 LEU 10 10 LEU LEU A .
A 1 11 HIS 11 11 HIS HIS A .
A 1 12 LEU 12 12 LEU LEU A .
A 1 13 ALA 13 13 ALA ALA A .
A 1 14 ARG 14 14 ARG ARG A .
A 1 15 LEU 15 15 LEU LEU A .
A 1 16 THR 16 16 THR THR A .
A 1 17 ARG 17 17 ARG ARG A .
A 1 18 LEU 18 18 LEU LEU A .
A 1 19 VAL 19 19 VAL VAL A .
A 1 20 LEU 20 20 LEU LEU A .
A 1 21 THR 21 21 THR THR A .
A 1 22 ASP 22 22 ASP ASP A .
A 1 23 THR 23 23 THR THR A .
A 1 24 GLU 24 24 GLU GLU A .
A 1 25 LEU 25 25 LEU LEU A .
A 1 26 ALA 26 26 ALA ALA A .
A 1 27 SER 27 27 SER SER A .
A 1 28 PHE 28 28 PHE PHE A .
A 1 29 SER 29 29 SER SER A .
A 1 30 SER 30 30 SER SER A .
A 1 31 GLN 31 31 GLN GLN A .
A 1 32 LEU 32 32 LEU LEU A .
A 1 33 ASP 33 33 ASP ASP A .
A 1 34 VAL 34 34 VAL VAL A .
A 1 35 ILE 35 35 ILE ILE A .
A 1 36 LEU 36 36 LEU LEU A .
A 1 37 ALA 37 37 ALA ALA A .
A 1 38 HIS 38 38 HIS HIS A .
A 1 39 VAL 39 39 VAL VAL A .
A 1 40 SER 40 40 SER SER A .
A 1 41 GLN 41 41 GLN GLN A .
A 1 42 ILE 42 42 ILE ILE A .
A 1 43 GLN 43 43 GLN GLN A .
A 1 44 ALA 44 44 ALA ALA A .
A 1 45 VAL 45 45 VAL VAL A .
A 1 46 ASP 46 46 ASP ASP A .
A 1 47 VAL 47 47 VAL VAL A .
A 1 48 THR 48 48 THR THR A .
A 1 49 GLY 49 49 GLY GLY A .
A 1 50 VAL 50 50 VAL VAL A .
A 1 51 GLU 51 51 GLU GLU A .
A 1 52 PRO 52 52 PRO PRO A .
A 1 53 THR 53 53 THR THR A .
A 1 54 ASP 54 54 ASP ASP A .
A 1 55 ASN 55 55 ASN ASN A .
A 1 56 PRO 56 56 PRO PRO A .
A 1 57 LEU 57 57 LEU LEU A .
A 1 58 LYS 58 58 LYS LYS A .
A 1 59 TYR 59 59 TYR TYR A .
A 1 60 VAL 60 60 VAL VAL A .
A 1 61 ASN 61 61 ASN ASN A .
A 1 62 ILE 62 62 ILE ILE A .
A 1 63 THR 63 63 THR THR A .
A 1 64 ARG 64 64 ARG ARG A .
A 1 65 PRO 65 65 PRO PRO A .
A 1 66 ASP 66 66 ASP ASP A .
A 1 67 GLU 67 67 GLU GLU A .
A 1 68 THR 68 68 THR THR A .
A 1 69 VAL 69 69 VAL VAL A .
A 1 70 PRO 70 70 PRO PRO A .
A 1 71 CYS 71 71 CYS CYS A .
A 1 72 LEU 72 72 LEU LEU A .
A 1 73 THR 73 73 THR THR A .
A 1 74 GLN 74 74 GLN GLN A .
A 1 75 GLN 75 75 GLN GLN A .
A 1 76 GLN 76 76 GLN GLN A .
A 1 77 ALA 77 77 ALA ALA A .
A 1 78 LEU 78 78 LEU LEU A .
A 1 79 ALA 79 79 ALA ALA A .
A 1 80 GLU 80 80 GLU GLU A .
A 1 81 ALA 81 81 ALA ALA A .
A 1 82 PRO 82 82 PRO PRO A .
A 1 83 GLU 83 83 GLU GLU A .
A 1 84 ALA 84 84 ALA ALA A .
A 1 85 ILE 85 85 ILE ILE A .
A 1 86 TYR 86 86 TYR TYR A .
A 1 87 GLY 87 87 GLY GLY A .
A 1 88 ARG 88 88 ARG ARG A .
A 1 89 PHE 89 89 PHE PHE A .
A 1 90 VAL 90 90 VAL VAL A .
A 1 91 VAL 91 91 VAL VAL A .
A 1 92 PRO 92 92 PRO PRO A .
A 1 93 GLN 93 93 GLN GLN A .
A 1 94 ILE 94 94 ILE ILE A .
A 1 95 LEU 95 95 LEU LEU A .
A 1 96 GLY 96 96 GLY GLY A .
A 1 97 ASP 97 97 ASP ASP A .
A 1 98 ASN 98 98 ASN ASN A .
A 1 99 LYS 99 99 LYS LYS A .
#
#
loop_
_ma_data.id
_ma_data.name
_ma_data.content_type
_ma_data.content_type_other_details
1 . target .
2 Model 'model coordinates' .
#
#
loop_
_ma_target_entity.entity_id
_ma_target_entity.data_id
_ma_target_entity.origin
1 1 designed
#
#
loop_
_ma_target_entity_instance.asym_id
_ma_target_entity_instance.entity_id
_ma_target_entity_instance.details
A 1 'Model subunit A'
#
#
loop_
_ma_model_list.ordinal_id
_ma_model_list.model_id
_ma_model_list.model_group_id
_ma_model_list.model_name
_ma_model_list.model_group_name
_ma_model_list.data_id
_ma_model_list.model_type
_ma_model_list.model_type_other_details
1 1 1 Model 'All models' 2 'Ab initio model' .
#
#
loop_
_atom_site.group_PDB
_atom_site.id
_atom_site.type_symbol
_atom_site.label_atom_id
_atom_site.label_alt_id
_atom_site.label_comp_id
_atom_site.label_seq_id
_atom_site.auth_seq_id
_atom_site.pdbx_PDB_ins_code
_atom_site.label_asym_id
_atom_site.Cartn_x
_atom_site.Cartn_y
_atom_site.Cartn_z
_atom_site.occupancy
_atom_site.label_entity_id
_atom_site.auth_asym_id
_atom_site.auth_comp_id
_atom_site.B_iso_or_equiv
_atom_site.pdbx_PDB_model_num
ATOM 1 N N . VAL 1 1 ? A -3.44441 21.22224 -12.06305 1 1 A VAL 53.650 1
ATOM 2 C CA . VAL 1 1 ? A -2.59509 21.46847 -13.21704 1 1 A VAL 53.650 1
ATOM 3 C C . VAL 1 1 ? A -3.08483 20.61704 -14.38320 1 1 A VAL 53.650 1
ATOM 4 O O . VAL 1 1 ? A -3.90148 21.07856 -15.18720 1 1 A VAL 53.650 1
ATOM 5 C CB . VAL 1 1 ? A -1.12134 21.18213 -12.91064 1 1 A VAL 53.650 1
ATOM 6 C CG1 . VAL 1 1 ? A -0.22910 21.80437 -13.98183 1 1 A VAL 53.650 1
ATOM 7 C CG2 . VAL 1 1 ? A -0.76688 21.73291 -11.53504 1 1 A VAL 53.650 1
ATOM 8 N N . SER 2 2 ? A -2.65632 19.37540 -14.47229 1 1 A SER 63.523 1
ATOM 9 C CA . SER 2 2 ? A -3.24065 18.41757 -15.40310 1 1 A SER 63.523 1
ATOM 10 C C . SER 2 2 ? A -4.29550 17.60820 -14.66293 1 1 A SER 63.523 1
ATOM 11 O O . SER 2 2 ? A -3.98882 16.99738 -13.64226 1 1 A SER 63.523 1
ATOM 12 C CB . SER 2 2 ? A -2.17946 17.47535 -15.97070 1 1 A SER 63.523 1
ATOM 13 O OG . SER 2 2 ? A -1.30250 18.15638 -16.84401 1 1 A SER 63.523 1
ATOM 14 N N . PRO 3 3 ? A -5.51600 17.61869 -15.15209 1 1 A PRO 71.918 1
ATOM 15 C CA . PRO 3 3 ? A -6.56775 16.88416 -14.44392 1 1 A PRO 71.918 1
ATOM 16 C C . PRO 3 3 ? A -6.24470 15.40158 -14.33972 1 1 A PRO 71.918 1
ATOM 17 O O . PRO 3 3 ? A -5.72128 14.80176 -15.27449 1 1 A PRO 71.918 1
ATOM 18 C CB . PRO 3 3 ? A -7.81141 17.11429 -15.30925 1 1 A PRO 71.918 1
ATOM 19 C CG . PRO 3 3 ? A -7.51727 18.35074 -16.08442 1 1 A PRO 71.918 1
ATOM 20 C CD . PRO 3 3 ? A -6.03593 18.33879 -16.32534 1 1 A PRO 71.918 1
ATOM 21 N N . ILE 4 4 ? A -6.56820 14.82070 -13.18780 1 1 A ILE 84.281 1
ATOM 22 C CA . ILE 4 4 ? A -6.41106 13.39025 -12.99302 1 1 A ILE 84.281 1
ATOM 23 C C . ILE 4 4 ? A -7.58067 12.68568 -13.66008 1 1 A ILE 84.281 1
ATOM 24 O O . ILE 4 4 ? A -8.73894 12.94472 -13.33828 1 1 A ILE 84.281 1
ATOM 25 C CB . ILE 4 4 ? A -6.34656 13.03275 -11.50053 1 1 A ILE 84.281 1
ATOM 26 C CG1 . ILE 4 4 ? A -5.21802 13.81766 -10.82886 1 1 A ILE 84.281 1
ATOM 27 C CG2 . ILE 4 4 ? A -6.14263 11.54123 -11.32442 1 1 A ILE 84.281 1
ATOM 28 C CD1 . ILE 4 4 ? A -3.84999 13.54219 -11.40191 1 1 A ILE 84.281 1
ATOM 29 N N . SER 5 5 ? A -7.29411 11.81016 -14.58998 1 1 A SER 87.442 1
ATOM 30 C CA . SER 5 5 ? A -8.33471 11.14752 -15.35337 1 1 A SER 87.442 1
ATOM 31 C C . SER 5 5 ? A -9.02171 10.06880 -14.52945 1 1 A SER 87.442 1
ATOM 32 O O . SER 5 5 ? A -8.51308 9.61736 -13.50276 1 1 A SER 87.442 1
ATOM 33 C CB . SER 5 5 ? A -7.76672 10.53391 -16.63267 1 1 A SER 87.442 1
ATOM 34 O OG . SER 5 5 ? A -6.93116 9.43239 -16.33603 1 1 A SER 87.442 1
ATOM 35 N N . ARG 6 6 ? A -10.18114 9.66991 -14.99213 1 1 A ARG 86.547 1
ATOM 36 C CA . ARG 6 6 ? A -10.90862 8.58600 -14.35571 1 1 A ARG 86.547 1
ATOM 37 C C . ARG 6 6 ? A -10.10242 7.29407 -14.38837 1 1 A ARG 86.547 1
ATOM 38 O O . ARG 6 6 ? A -10.08289 6.53716 -13.41402 1 1 A ARG 86.547 1
ATOM 39 C CB . ARG 6 6 ? A -12.25983 8.38588 -15.04080 1 1 A ARG 86.547 1
ATOM 40 C CG . ARG 6 6 ? A -13.03875 7.17328 -14.56116 1 1 A ARG 86.547 1
ATOM 41 C CD . ARG 6 6 ? A -14.27390 6.94618 -15.41428 1 1 A ARG 86.547 1
ATOM 42 N NE . ARG 6 6 ? A -14.97207 5.71472 -15.05841 1 1 A ARG 86.547 1
ATOM 43 C CZ . ARG 6 6 ? A -15.99075 5.63887 -14.21400 1 1 A ARG 86.547 1
ATOM 44 N NH1 . ARG 6 6 ? A -16.44411 6.73741 -13.62648 1 1 A ARG 86.547 1
ATOM 45 N NH2 . ARG 6 6 ? A -16.55024 4.46313 -13.95880 1 1 A ARG 86.547 1
ATOM 46 N N . ASP 7 7 ? A -9.43719 7.03892 -15.50027 1 1 A ASP 90.912 1
ATOM 47 C CA . ASP 7 7 ? A -8.63400 5.83123 -15.61420 1 1 A ASP 90.912 1
ATOM 48 C C . ASP 7 7 ? A -7.46626 5.84380 -14.64003 1 1 A ASP 90.912 1
ATOM 49 O O . ASP 7 7 ? A -7.07908 4.79883 -14.11226 1 1 A ASP 90.912 1
ATOM 50 C CB . ASP 7 7 ? A -8.11875 5.65817 -17.04585 1 1 A ASP 90.912 1
ATOM 51 C CG . ASP 7 7 ? A -9.21082 5.21226 -18.00027 1 1 A ASP 90.912 1
ATOM 52 O OD1 . ASP 7 7 ? A -10.27038 4.75224 -17.53220 1 1 A ASP 90.912 1
ATOM 53 O OD2 . ASP 7 7 ? A -8.99554 5.32049 -19.22866 1 1 A ASP 90.912 1
ATOM 54 N N . GLU 8 8 ? A -6.89225 7.01501 -14.40580 1 1 A GLU 88.715 1
ATOM 55 C CA . GLU 8 8 ? A -5.79560 7.11016 -13.45366 1 1 A GLU 88.715 1
ATOM 56 C C . GLU 8 8 ? A -6.27241 6.84353 -12.03552 1 1 A GLU 88.715 1
ATOM 57 O O . GLU 8 8 ? A -5.57898 6.19909 -11.24592 1 1 A GLU 88.715 1
ATOM 58 C CB . GLU 8 8 ? A -5.13145 8.48448 -13.54483 1 1 A GLU 88.715 1
ATOM 59 C CG . GLU 8 8 ? A -4.29063 8.66835 -14.79758 1 1 A GLU 88.715 1
ATOM 60 C CD . GLU 8 8 ? A -3.79061 10.08521 -14.97363 1 1 A GLU 88.715 1
ATOM 61 O OE1 . GLU 8 8 ? A -4.59402 11.02829 -14.84516 1 1 A GLU 88.715 1
ATOM 62 O OE2 . GLU 8 8 ? A -2.58571 10.25755 -15.23165 1 1 A GLU 88.715 1
ATOM 63 N N . VAL 9 9 ? A -7.46567 7.33309 -11.70052 1 1 A VAL 91.983 1
ATOM 64 C CA . VAL 9 9 ? A -8.02447 7.06072 -10.38733 1 1 A VAL 91.983 1
ATOM 65 C C . VAL 9 9 ? A -8.34049 5.57443 -10.24774 1 1 A VAL 91.983 1
ATOM 66 O O . VAL 9 9 ? A -8.09674 4.97029 -9.19969 1 1 A VAL 91.983 1
ATOM 67 C CB . VAL 9 9 ? A -9.27959 7.91251 -10.13462 1 1 A VAL 91.983 1
ATOM 68 C CG1 . VAL 9 9 ? A -9.87708 7.58505 -8.77588 1 1 A VAL 91.983 1
ATOM 69 C CG2 . VAL 9 9 ? A -8.92343 9.39439 -10.21517 1 1 A VAL 91.983 1
ATOM 70 N N . LEU 10 10 ? A -8.88457 4.97665 -11.29934 1 1 A LEU 92.818 1
ATOM 71 C CA . LEU 10 10 ? A -9.15393 3.54673 -11.28139 1 1 A LEU 92.818 1
ATOM 72 C C . LEU 10 10 ? A -7.87109 2.74972 -11.10575 1 1 A LEU 92.818 1
ATOM 73 O O . LEU 10 10 ? A -7.84135 1.75248 -10.38219 1 1 A LEU 92.818 1
ATOM 74 C CB . LEU 10 10 ? A -9.86303 3.11394 -12.56734 1 1 A LEU 92.818 1
ATOM 75 C CG . LEU 10 10 ? A -11.36519 3.33544 -12.62967 1 1 A LEU 92.818 1
ATOM 76 C CD1 . LEU 10 10 ? A -11.87428 3.10369 -14.05087 1 1 A LEU 92.818 1
ATOM 77 C CD2 . LEU 10 10 ? A -12.07831 2.42080 -11.64585 1 1 A LEU 92.818 1
ATOM 78 N N . HIS 11 11 ? A -6.81012 3.18310 -11.77602 1 1 A HIS 93.335 1
ATOM 79 C CA . HIS 11 11 ? A -5.52999 2.50191 -11.64844 1 1 A HIS 93.335 1
ATOM 80 C C . HIS 11 11 ? A -5.02809 2.55752 -10.21152 1 1 A HIS 93.335 1
ATOM 81 O O . HIS 11 11 ? A -4.56339 1.55348 -9.66619 1 1 A HIS 93.335 1
ATOM 82 C CB . HIS 11 11 ? A -4.51185 3.12371 -12.60479 1 1 A HIS 93.335 1
ATOM 83 C CG . HIS 11 11 ? A -3.12737 2.57341 -12.47311 1 1 A HIS 93.335 1
ATOM 84 N ND1 . HIS 11 11 ? A -2.80659 1.27913 -12.82477 1 1 A HIS 93.335 1
ATOM 85 C CD2 . HIS 11 11 ? A -1.98172 3.14350 -12.03407 1 1 A HIS 93.335 1
ATOM 86 C CE1 . HIS 11 11 ? A -1.51549 1.08850 -12.60403 1 1 A HIS 93.335 1
ATOM 87 N NE2 . HIS 11 11 ? A -0.99567 2.19916 -12.12658 1 1 A HIS 93.335 1
ATOM 88 N N . LEU 12 12 ? A -5.11602 3.72447 -9.58976 1 1 A LEU 90.468 1
ATOM 89 C CA . LEU 12 12 ? A -4.69281 3.85640 -8.20585 1 1 A LEU 90.468 1
ATOM 90 C C . LEU 12 12 ? A -5.57694 3.04007 -7.27784 1 1 A LEU 90.468 1
ATOM 91 O O . LEU 12 12 ? A -5.09924 2.46156 -6.30029 1 1 A LEU 90.468 1
ATOM 92 C CB . LEU 12 12 ? A -4.69690 5.32746 -7.78451 1 1 A LEU 90.468 1
ATOM 93 C CG . LEU 12 12 ? A -3.66858 6.21602 -8.47237 1 1 A LEU 90.468 1
ATOM 94 C CD1 . LEU 12 12 ? A -3.89255 7.67607 -8.10043 1 1 A LEU 90.468 1
ATOM 95 C CD2 . LEU 12 12 ? A -2.25957 5.77894 -8.10731 1 1 A LEU 90.468 1
ATOM 96 N N . ALA 13 13 ? A -6.87244 2.99054 -7.57157 1 1 A ALA 93.336 1
ATOM 97 C CA . ALA 13 13 ? A -7.78245 2.20536 -6.75165 1 1 A ALA 93.336 1
ATOM 98 C C . ALA 13 13 ? A -7.43962 0.72284 -6.81045 1 1 A ALA 93.336 1
ATOM 99 O O . ALA 13 13 ? A -7.51606 0.02196 -5.79889 1 1 A ALA 93.336 1
ATOM 100 C CB . ALA 13 13 ? A -9.22476 2.43744 -7.18883 1 1 A ALA 93.336 1
ATOM 101 N N . ARG 14 14 ? A -7.05763 0.25551 -7.99028 1 1 A ARG 92.594 1
ATOM 102 C CA . ARG 14 14 ? A -6.66966 -1.13942 -8.11727 1 1 A ARG 92.594 1
ATOM 103 C C . ARG 14 14 ? A -5.38688 -1.42908 -7.34800 1 1 A ARG 92.594 1
ATOM 104 O O . ARG 14 14 ? A -5.26083 -2.47157 -6.69715 1 1 A ARG 92.594 1
ATOM 105 C CB . ARG 14 14 ? A -6.50016 -1.52246 -9.58419 1 1 A ARG 92.594 1
ATOM 106 C CG . ARG 14 14 ? A -7.78915 -1.45637 -10.39812 1 1 A ARG 92.594 1
ATOM 107 C CD . ARG 14 14 ? A -7.57106 -1.97705 -11.80860 1 1 A ARG 92.594 1
ATOM 108 N NE . ARG 14 14 ? A -8.75429 -1.74657 -12.63847 1 1 A ARG 92.594 1
ATOM 109 C CZ . ARG 14 14 ? A -8.83609 -0.82417 -13.58886 1 1 A ARG 92.594 1
ATOM 110 N NH1 . ARG 14 14 ? A -7.79886 -0.04164 -13.86081 1 1 A ARG 92.594 1
ATOM 111 N NH2 . ARG 14 14 ? A -9.96213 -0.68230 -14.28068 1 1 A ARG 92.594 1
ATOM 112 N N . LEU 15 15 ? A -4.42644 -0.51573 -7.41916 1 1 A LEU 92.785 1
ATOM 113 C CA . LEU 15 15 ? A -3.16614 -0.71414 -6.71768 1 1 A LEU 92.785 1
ATOM 114 C C . LEU 15 15 ? A -3.35545 -0.74503 -5.21075 1 1 A LEU 92.785 1
ATOM 115 O O . LEU 15 15 ? A -2.66928 -1.48740 -4.50234 1 1 A LEU 92.785 1
ATOM 116 C CB . LEU 15 15 ? A -2.16673 0.38007 -7.09420 1 1 A LEU 92.785 1
ATOM 117 C CG . LEU 15 15 ? A -1.61777 0.34781 -8.51726 1 1 A LEU 92.785 1
ATOM 118 C CD1 . LEU 15 15 ? A -0.73350 1.56959 -8.76087 1 1 A LEU 92.785 1
ATOM 119 C CD2 . LEU 15 15 ? A -0.83980 -0.93723 -8.75899 1 1 A LEU 92.785 1
ATOM 120 N N . THR 16 16 ? A -4.27902 0.05960 -4.71874 1 1 A THR 89.407 1
ATOM 121 C CA . THR 16 16 ? A -4.54101 0.12755 -3.28955 1 1 A THR 89.407 1
ATOM 122 C C . THR 16 16 ? A -5.67700 -0.78953 -2.85837 1 1 A THR 89.407 1
ATOM 123 O O . THR 16 16 ? A -6.04016 -0.80389 -1.68304 1 1 A THR 89.407 1
ATOM 124 C CB . THR 16 16 ? A -4.86401 1.56331 -2.86650 1 1 A THR 89.407 1
ATOM 125 O OG1 . THR 16 16 ? A -6.02523 2.02305 -3.56656 1 1 A THR 89.407 1
ATOM 126 C CG2 . THR 16 16 ? A -3.69939 2.48847 -3.19042 1 1 A THR 89.407 1
ATOM 127 N N . ARG 17 17 ? A -6.23867 -1.54882 -3.78098 1 1 A ARG 89.999 1
ATOM 128 C CA . ARG 17 17 ? A -7.34740 -2.45756 -3.51775 1 1 A ARG 89.999 1
ATOM 129 C C . ARG 17 17 ? A -8.52248 -1.72144 -2.88910 1 1 A ARG 89.999 1
ATOM 130 O O . ARG 17 17 ? A -9.14950 -2.20300 -1.94398 1 1 A ARG 89.999 1
ATOM 131 C CB . ARG 17 17 ? A -6.90294 -3.63154 -2.64701 1 1 A ARG 89.999 1
ATOM 132 C CG . ARG 17 17 ? A -5.79383 -4.45577 -3.27813 1 1 A ARG 89.999 1
ATOM 133 C CD . ARG 17 17 ? A -5.58047 -5.76102 -2.54438 1 1 A ARG 89.999 1
ATOM 134 N NE . ARG 17 17 ? A -6.77794 -6.59595 -2.56042 1 1 A ARG 89.999 1
ATOM 135 C CZ . ARG 17 17 ? A -7.15948 -7.34703 -3.58014 1 1 A ARG 89.999 1
ATOM 136 N NH1 . ARG 17 17 ? A -6.44533 -7.39229 -4.69441 1 1 A ARG 89.999 1
ATOM 137 N NH2 . ARG 17 17 ? A -8.27036 -8.06538 -3.48284 1 1 A ARG 89.999 1
ATOM 138 N N . LEU 18 18 ? A -8.81348 -0.55500 -3.44710 1 1 A LEU 89.950 1
ATOM 139 C CA . LEU 18 18 ? A -9.90698 0.27522 -2.97902 1 1 A LEU 89.950 1
ATOM 140 C C . LEU 18 18 ? A -11.03202 0.22506 -3.99662 1 1 A LEU 89.950 1
ATOM 141 O O . LEU 18 18 ? A -10.83433 0.53197 -5.17052 1 1 A LEU 89.950 1
ATOM 142 C CB . LEU 18 18 ? A -9.43648 1.71803 -2.77459 1 1 A LEU 89.950 1
ATOM 143 C CG . LEU 18 18 ? A -10.45961 2.73467 -2.29036 1 1 A LEU 89.950 1
ATOM 144 C CD1 . LEU 18 18 ? A -10.92252 2.39516 -0.88237 1 1 A LEU 89.950 1
ATOM 145 C CD2 . LEU 18 18 ? A -9.85704 4.13503 -2.33939 1 1 A LEU 89.950 1
ATOM 146 N N . VAL 19 19 ? A -12.20823 -0.16770 -3.55749 1 1 A VAL 91.663 1
ATOM 147 C CA . VAL 19 19 ? A -13.36817 -0.24786 -4.42157 1 1 A VAL 91.663 1
ATOM 148 C C . VAL 19 19 ? A -14.11583 1.07485 -4.34893 1 1 A VAL 91.663 1
ATOM 149 O O . VAL 19 19 ? A -14.52204 1.50733 -3.27120 1 1 A VAL 91.663 1
ATOM 150 C CB . VAL 19 19 ? A -14.29285 -1.40795 -4.02047 1 1 A VAL 91.663 1
ATOM 151 C CG1 . VAL 19 19 ? A -15.52880 -1.43993 -4.91122 1 1 A VAL 91.663 1
ATOM 152 C CG2 . VAL 19 19 ? A -13.52964 -2.72599 -4.09991 1 1 A VAL 91.663 1
ATOM 153 N N . LEU 20 20 ? A -14.29831 1.71261 -5.50044 1 1 A LEU 91.636 1
ATOM 154 C CA . LEU 20 20 ? A -14.93405 3.01356 -5.57999 1 1 A LEU 91.636 1
ATOM 155 C C . LEU 20 20 ? A -16.16045 2.95018 -6.47236 1 1 A LEU 91.636 1
ATOM 156 O O . LEU 20 20 ? A -16.16112 2.28197 -7.50377 1 1 A LEU 91.636 1
ATOM 157 C CB . LEU 20 20 ? A -13.96996 4.06861 -6.12407 1 1 A LEU 91.636 1
ATOM 158 C CG . LEU 20 20 ? A -12.68757 4.31735 -5.33473 1 1 A LEU 91.636 1
ATOM 159 C CD1 . LEU 20 20 ? A -11.80035 5.30194 -6.08784 1 1 A LEU 91.636 1
ATOM 160 C CD2 . LEU 20 20 ? A -13.01633 4.83277 -3.94435 1 1 A LEU 91.636 1
ATOM 161 N N . THR 21 21 ? A -17.19588 3.66352 -6.06068 1 1 A THR 93.774 1
ATOM 162 C CA . THR 21 21 ? A -18.35850 3.84041 -6.90824 1 1 A THR 93.774 1
ATOM 163 C C . THR 21 21 ? A -18.05110 4.88109 -7.97684 1 1 A THR 93.774 1
ATOM 164 O O . THR 21 21 ? A -17.03541 5.57794 -7.92622 1 1 A THR 93.774 1
ATOM 165 C CB . THR 21 21 ? A -19.58019 4.29292 -6.10023 1 1 A THR 93.774 1
ATOM 166 O OG1 . THR 21 21 ? A -19.34182 5.60411 -5.57363 1 1 A THR 93.774 1
ATOM 167 C CG2 . THR 21 21 ? A -19.84000 3.32413 -4.94937 1 1 A THR 93.774 1
ATOM 168 N N . ASP 22 22 ? A -18.94523 4.98233 -8.95203 1 1 A ASP 88.640 1
ATOM 169 C CA . ASP 22 22 ? A -18.74182 5.95420 -10.01844 1 1 A ASP 88.640 1
ATOM 170 C C . ASP 22 22 ? A -18.71110 7.37905 -9.48063 1 1 A ASP 88.640 1
ATOM 171 O O . ASP 22 22 ? A -17.91153 8.20481 -9.93145 1 1 A ASP 88.640 1
ATOM 172 C CB . ASP 22 22 ? A -19.83780 5.82134 -11.07946 1 1 A ASP 88.640 1
ATOM 173 C CG . ASP 22 22 ? A -19.69089 4.56160 -11.91331 1 1 A ASP 88.640 1
ATOM 174 O OD1 . ASP 22 22 ? A -18.59678 3.97202 -11.93471 1 1 A ASP 88.640 1
ATOM 175 O OD2 . ASP 22 22 ? A -20.68863 4.16563 -12.55948 1 1 A ASP 88.640 1
ATOM 176 N N . THR 23 23 ? A -19.57065 7.67573 -8.51299 1 1 A THR 91.519 1
ATOM 177 C CA . THR 23 23 ? A -19.58292 9.01441 -7.94198 1 1 A THR 91.519 1
ATOM 178 C C . THR 23 23 ? A -18.33088 9.26978 -7.11725 1 1 A THR 91.519 1
ATOM 179 O O . THR 23 23 ? A -17.81744 10.39154 -7.08088 1 1 A THR 91.519 1
ATOM 180 C CB . THR 23 23 ? A -20.83290 9.22175 -7.07685 1 1 A THR 91.519 1
ATOM 181 O OG1 . THR 23 23 ? A -20.89736 8.20731 -6.06457 1 1 A THR 91.519 1
ATOM 182 C CG2 . THR 23 23 ? A -22.08011 9.14117 -7.93963 1 1 A THR 91.519 1
ATOM 183 N N . GLU 24 24 ? A -17.82435 8.24625 -6.46052 1 1 A GLU 91.534 1
ATOM 184 C CA . GLU 24 24 ? A -16.59938 8.39605 -5.69385 1 1 A GLU 91.534 1
ATOM 185 C C . GLU 24 24 ? A -15.39477 8.59925 -6.59989 1 1 A GLU 91.534 1
ATOM 186 O O . GLU 24 24 ? A -14.43640 9.27903 -6.22128 1 1 A GLU 91.534 1
ATOM 187 C CB . GLU 24 24 ? A -16.37883 7.18068 -4.79153 1 1 A GLU 91.534 1
ATOM 188 C CG . GLU 24 24 ? A -17.32058 7.12973 -3.59974 1 1 A GLU 91.534 1
ATOM 189 C CD . GLU 24 24 ? A -17.24722 5.81667 -2.84620 1 1 A GLU 91.534 1
ATOM 190 O OE1 . GLU 24 24 ? A -16.85588 4.79871 -3.45736 1 1 A GLU 91.534 1
ATOM 191 O OE2 . GLU 24 24 ? A -17.58404 5.79811 -1.64829 1 1 A GLU 91.534 1
ATOM 192 N N . LEU 25 25 ? A -15.41536 8.01729 -7.79317 1 1 A LEU 90.139 1
ATOM 193 C CA . LEU 25 25 ? A -14.32203 8.21618 -8.73193 1 1 A LEU 90.139 1
ATOM 194 C C . LEU 25 25 ? A -14.18957 9.68333 -9.10900 1 1 A LEU 90.139 1
ATOM 195 O O . LEU 25 25 ? A -13.08095 10.21549 -9.19304 1 1 A LEU 90.139 1
ATOM 196 C CB . LEU 25 25 ? A -14.53183 7.37288 -9.99077 1 1 A LEU 90.139 1
ATOM 197 C CG . LEU 25 25 ? A -14.28610 5.87365 -9.85949 1 1 A LEU 90.139 1
ATOM 198 C CD1 . LEU 25 25 ? A -14.76836 5.15047 -11.11043 1 1 A LEU 90.139 1
ATOM 199 C CD2 . LEU 25 25 ? A -12.81040 5.59995 -9.61855 1 1 A LEU 90.139 1
ATOM 200 N N . ALA 26 26 ? A -15.31273 10.34002 -9.34923 1 1 A ALA 86.422 1
ATOM 201 C CA . ALA 26 26 ? A -15.28036 11.75548 -9.68734 1 1 A ALA 86.422 1
ATOM 202 C C . ALA 26 26 ? A -14.76636 12.58440 -8.51788 1 1 A ALA 86.422 1
ATOM 203 O O . ALA 26 26 ? A -13.98759 13.52407 -8.70284 1 1 A ALA 86.422 1
ATOM 204 C CB . ALA 26 26 ? A -16.66661 12.23351 -10.10904 1 1 A ALA 86.422 1
ATOM 205 N N . SER 27 27 ? A -15.19672 12.25087 -7.31786 1 1 A SER 91.611 1
ATOM 206 C CA . SER 27 27 ? A -14.75652 12.97981 -6.13941 1 1 A SER 91.611 1
ATOM 207 C C . SER 27 27 ? A -13.25950 12.80001 -5.91129 1 1 A SER 91.611 1
ATOM 208 O O . SER 27 27 ? A -12.53965 13.76567 -5.63224 1 1 A SER 91.611 1
ATOM 209 C CB . SER 27 27 ? A -15.54246 12.52127 -4.91151 1 1 A SER 91.611 1
ATOM 210 O OG . SER 27 27 ? A -15.07479 13.16449 -3.73516 1 1 A SER 91.611 1
ATOM 211 N N . PHE 28 28 ? A -12.77834 11.57850 -6.02213 1 1 A PHE 90.540 1
ATOM 212 C CA . PHE 28 28 ? A -11.36402 11.31586 -5.79889 1 1 A PHE 90.540 1
ATOM 213 C C . PHE 28 28 ? A -10.49178 11.97276 -6.85558 1 1 A PHE 90.540 1
ATOM 214 O O . PHE 28 28 ? A -9.35594 12.35708 -6.57651 1 1 A PHE 90.540 1
ATOM 215 C CB . PHE 28 28 ? A -11.09093 9.81079 -5.75139 1 1 A PHE 90.540 1
ATOM 216 C CG . PHE 28 28 ? A -11.20587 9.22745 -4.37451 1 1 A PHE 90.540 1
ATOM 217 C CD1 . PHE 28 28 ? A -12.44785 8.97560 -3.81277 1 1 A PHE 90.540 1
ATOM 218 C CD2 . PHE 28 28 ? A -10.07096 8.93406 -3.63754 1 1 A PHE 90.540 1
ATOM 219 C CE1 . PHE 28 28 ? A -12.55929 8.44494 -2.53853 1 1 A PHE 90.540 1
ATOM 220 C CE2 . PHE 28 28 ? A -10.17425 8.40035 -2.36298 1 1 A PHE 90.540 1
ATOM 221 C CZ . PHE 28 28 ? A -11.41373 8.15617 -1.81231 1 1 A PHE 90.540 1
ATOM 222 N N . SER 29 29 ? A -11.00473 12.09495 -8.06979 1 1 A SER 88.351 1
ATOM 223 C CA . SER 29 29 ? A -10.24374 12.76075 -9.11550 1 1 A SER 88.351 1
ATOM 224 C C . SER 29 29 ? A -9.95049 14.20692 -8.72709 1 1 A SER 88.351 1
ATOM 225 O O . SER 29 29 ? A -8.82461 14.68827 -8.89142 1 1 A SER 88.351 1
ATOM 226 C CB . SER 29 29 ? A -11.00569 12.70859 -10.43715 1 1 A SER 88.351 1
ATOM 227 O OG . SER 29 29 ? A -10.27809 13.34912 -11.46673 1 1 A SER 88.351 1
ATOM 228 N N . SER 30 30 ? A -10.95126 14.89697 -8.21824 1 1 A SER 88.271 1
ATOM 229 C CA . SER 30 30 ? A -10.75916 16.27614 -7.78659 1 1 A SER 88.271 1
ATOM 230 C C . SER 30 30 ? A -9.83980 16.35968 -6.57808 1 1 A SER 88.271 1
ATOM 231 O O . SER 30 30 ? A -8.99354 17.25192 -6.48648 1 1 A SER 88.271 1
ATOM 232 C CB . SER 30 30 ? A -12.10684 16.92794 -7.47101 1 1 A SER 88.271 1
ATOM 233 O OG . SER 30 30 ? A -12.93487 16.96774 -8.61946 1 1 A SER 88.271 1
ATOM 234 N N . GLN 31 31 ? A -10.00375 15.43832 -5.63854 1 1 A GLN 89.605 1
ATOM 235 C CA . GLN 31 31 ? A -9.17222 15.45475 -4.44617 1 1 A GLN 89.605 1
ATOM 236 C C . GLN 31 31 ? A -7.71555 15.16538 -4.78043 1 1 A GLN 89.605 1
ATOM 237 O O . GLN 31 31 ? A -6.80307 15.78956 -4.23578 1 1 A GLN 89.605 1
ATOM 238 C CB . GLN 31 31 ? A -9.69323 14.44559 -3.42869 1 1 A GLN 89.605 1
ATOM 239 C CG . GLN 31 31 ? A -11.06676 14.78390 -2.87360 1 1 A GLN 89.605 1
ATOM 240 C CD . GLN 31 31 ? A -11.63092 13.67325 -2.01688 1 1 A GLN 89.605 1
ATOM 241 O OE1 . GLN 31 31 ? A -10.93559 12.71883 -1.66876 1 1 A GLN 89.605 1
ATOM 242 N NE2 . GLN 31 31 ? A -12.90593 13.78667 -1.66549 1 1 A GLN 89.605 1
ATOM 243 N N . LEU 32 32 ? A -7.48134 14.22317 -5.67949 1 1 A LEU 89.920 1
ATOM 244 C CA . LEU 32 32 ? A -6.11631 13.88603 -6.05426 1 1 A LEU 89.920 1
ATOM 245 C C . LEU 32 32 ? A -5.44862 15.01584 -6.82197 1 1 A LEU 89.920 1
ATOM 246 O O . LEU 32 32 ? A -4.22855 15.16640 -6.75381 1 1 A LEU 89.920 1
ATOM 247 C CB . LEU 32 32 ? A -6.08937 12.59720 -6.87903 1 1 A LEU 89.920 1
ATOM 248 C CG . LEU 32 32 ? A -6.35892 11.31610 -6.09114 1 1 A LEU 89.920 1
ATOM 249 C CD1 . LEU 32 32 ? A -6.51889 10.13356 -7.03847 1 1 A LEU 89.920 1
ATOM 250 C CD2 . LEU 32 32 ? A -5.23217 11.06978 -5.10034 1 1 A LEU 89.920 1
ATOM 251 N N . ASP 33 33 ? A -6.22901 15.80267 -7.55937 1 1 A ASP 86.885 1
ATOM 252 C CA . ASP 33 33 ? A -5.66640 16.97228 -8.22233 1 1 A ASP 86.885 1
ATOM 253 C C . ASP 33 33 ? A -5.03114 17.91241 -7.20670 1 1 A ASP 86.885 1
ATOM 254 O O . ASP 33 33 ? A -3.93386 18.43462 -7.41934 1 1 A ASP 86.885 1
ATOM 255 C CB . ASP 33 33 ? A -6.74875 17.72226 -9.01035 1 1 A ASP 86.885 1
ATOM 256 C CG . ASP 33 33 ? A -7.00479 17.11518 -10.37297 1 1 A ASP 86.885 1
ATOM 257 O OD1 . ASP 33 33 ? A -6.10409 16.45174 -10.91688 1 1 A ASP 86.885 1
ATOM 258 O OD2 . ASP 33 33 ? A -8.12376 17.32297 -10.90636 1 1 A ASP 86.885 1
ATOM 259 N N . VAL 34 34 ? A -5.72609 18.12993 -6.10243 1 1 A VAL 88.450 1
ATOM 260 C CA . VAL 34 34 ? A -5.21792 19.01105 -5.06336 1 1 A VAL 88.450 1
ATOM 261 C C . VAL 34 34 ? A -4.01171 18.38578 -4.36930 1 1 A VAL 88.450 1
ATOM 262 O O . VAL 34 34 ? A -2.99783 19.04974 -4.12217 1 1 A VAL 88.450 1
ATOM 263 C CB . VAL 34 34 ? A -6.32654 19.33667 -4.04425 1 1 A VAL 88.450 1
ATOM 264 C CG1 . VAL 34 34 ? A -5.77742 20.19078 -2.91065 1 1 A VAL 88.450 1
ATOM 265 C CG2 . VAL 34 34 ? A -7.48383 20.03881 -4.74405 1 1 A VAL 88.450 1
ATOM 266 N N . ILE 35 35 ? A -4.11301 17.10581 -4.05721 1 1 A ILE 87.127 1
ATOM 267 C CA . ILE 35 35 ? A -3.04290 16.43390 -3.33447 1 1 A ILE 87.127 1
ATOM 268 C C . ILE 35 35 ? A -1.76568 16.40055 -4.16291 1 1 A ILE 87.127 1
ATOM 269 O O . ILE 35 35 ? A -0.67891 16.72573 -3.67493 1 1 A ILE 87.127 1
ATOM 270 C CB . ILE 35 35 ? A -3.47073 15.00774 -2.93742 1 1 A ILE 87.127 1
ATOM 271 C CG1 . ILE 35 35 ? A -4.59887 15.07344 -1.90461 1 1 A ILE 87.127 1
ATOM 272 C CG2 . ILE 35 35 ? A -2.28677 14.22306 -2.39698 1 1 A ILE 87.127 1
ATOM 273 C CD1 . ILE 35 35 ? A -5.26223 13.73759 -1.65301 1 1 A ILE 87.127 1
ATOM 274 N N . LEU 36 36 ? A -1.88207 16.00908 -5.42778 1 1 A LEU 84.585 1
ATOM 275 C CA . LEU 36 36 ? A -0.69947 15.89221 -6.26616 1 1 A LEU 84.585 1
ATOM 276 C C . LEU 36 36 ? A -0.08597 17.24981 -6.57029 1 1 A LEU 84.585 1
ATOM 277 O O . LEU 36 36 ? A 1.13210 17.36511 -6.71456 1 1 A LEU 84.585 1
ATOM 278 C CB . LEU 36 36 ? A -1.03944 15.15329 -7.56165 1 1 A LEU 84.585 1
ATOM 279 C CG . LEU 36 36 ? A -1.42223 13.68399 -7.37328 1 1 A LEU 84.585 1
ATOM 280 C CD1 . LEU 36 36 ? A -1.82715 13.05836 -8.70383 1 1 A LEU 84.585 1
ATOM 281 C CD2 . LEU 36 36 ? A -0.27491 12.91179 -6.74059 1 1 A LEU 84.585 1
ATOM 282 N N . ALA 37 37 ? A -0.91307 18.27667 -6.68181 1 1 A ALA 84.947 1
ATOM 283 C CA . ALA 37 37 ? A -0.38306 19.62014 -6.87885 1 1 A ALA 84.947 1
ATOM 284 C C . ALA 37 37 ? A 0.45230 20.04775 -5.68343 1 1 A ALA 84.947 1
ATOM 285 O O . ALA 37 37 ? A 1.50753 20.66776 -5.83918 1 1 A ALA 84.947 1
ATOM 286 C CB . ALA 37 37 ? A -1.51970 20.61547 -7.11237 1 1 A ALA 84.947 1
ATOM 287 N N . HIS 38 38 ? A -0.01570 19.72873 -4.49410 1 1 A HIS 85.987 1
ATOM 288 C CA . HIS 38 38 ? A 0.72899 20.06157 -3.29055 1 1 A HIS 85.987 1
ATOM 289 C C . HIS 38 38 ? A 2.01649 19.25130 -3.19418 1 1 A HIS 85.987 1
ATOM 290 O O . HIS 38 38 ? A 3.07786 19.78174 -2.85849 1 1 A HIS 85.987 1
ATOM 291 C CB . HIS 38 38 ? A -0.14754 19.84346 -2.05748 1 1 A HIS 85.987 1
ATOM 292 C CG . HIS 38 38 ? A 0.49545 20.26408 -0.77171 1 1 A HIS 85.987 1
ATOM 293 N ND1 . HIS 38 38 ? A 1.24689 19.39687 -0.00594 1 1 A HIS 85.987 1
ATOM 294 C CD2 . HIS 38 38 ? A 0.49934 21.44508 -0.12038 1 1 A HIS 85.987 1
ATOM 295 C CE1 . HIS 38 38 ? A 1.68177 20.04135 1.06557 1 1 A HIS 85.987 1
ATOM 296 N NE2 . HIS 38 38 ? A 1.24414 21.28345 1.01777 1 1 A HIS 85.987 1
ATOM 297 N N . VAL 39 39 ? A 1.92569 17.96518 -3.49709 1 1 A VAL 83.176 1
ATOM 298 C CA . VAL 39 39 ? A 3.09115 17.09706 -3.39963 1 1 A VAL 83.176 1
ATOM 299 C C . VAL 39 39 ? A 4.14634 17.46521 -4.43811 1 1 A VAL 83.176 1
ATOM 300 O O . VAL 39 39 ? A 5.34838 17.32425 -4.19798 1 1 A VAL 83.176 1
ATOM 301 C CB . VAL 39 39 ? A 2.67385 15.62039 -3.54158 1 1 A VAL 83.176 1
ATOM 302 C CG1 . VAL 39 39 ? A 3.89358 14.71424 -3.66244 1 1 A VAL 83.176 1
ATOM 303 C CG2 . VAL 39 39 ? A 1.82801 15.20485 -2.34176 1 1 A VAL 83.176 1
ATOM 304 N N . SER 40 40 ? A 3.70365 17.95228 -5.59273 1 1 A SER 82.118 1
ATOM 305 C CA . SER 40 40 ? A 4.63928 18.30331 -6.64921 1 1 A SER 82.118 1
ATOM 306 C C . SER 40 40 ? A 5.59004 19.42139 -6.23462 1 1 A SER 82.118 1
ATOM 307 O O . SER 40 40 ? A 6.66512 19.56658 -6.81599 1 1 A SER 82.118 1
ATOM 308 C CB . SER 40 40 ? A 3.88485 18.71299 -7.91869 1 1 A SER 82.118 1
ATOM 309 O OG . SER 40 40 ? A 3.19622 19.93690 -7.73230 1 1 A SER 82.118 1
ATOM 310 N N . GLN 41 41 ? A 5.20360 20.21081 -5.24409 1 1 A GLN 83.635 1
ATOM 311 C CA . GLN 41 41 ? A 6.07154 21.27355 -4.77044 1 1 A GLN 83.635 1
ATOM 312 C C . GLN 41 41 ? A 7.34843 20.73522 -4.13804 1 1 A GLN 83.635 1
ATOM 313 O O . GLN 41 41 ? A 8.36244 21.43285 -4.08714 1 1 A GLN 83.635 1
ATOM 314 C CB . GLN 41 41 ? A 5.32878 22.15289 -3.76498 1 1 A GLN 83.635 1
ATOM 315 C CG . GLN 41 41 ? A 4.07618 22.80140 -4.32278 1 1 A GLN 83.635 1
ATOM 316 C CD . GLN 41 41 ? A 3.30112 23.55450 -3.26367 1 1 A GLN 83.635 1
ATOM 317 O OE1 . GLN 41 41 ? A 3.83657 23.92948 -2.22521 1 1 A GLN 83.635 1
ATOM 318 N NE2 . GLN 41 41 ? A 2.02725 23.78832 -3.53063 1 1 A GLN 83.635 1
ATOM 319 N N . ILE 42 42 ? A 7.30772 19.50408 -3.66490 1 1 A ILE 79.030 1
ATOM 320 C CA . ILE 42 42 ? A 8.48568 18.89706 -3.06360 1 1 A ILE 79.030 1
ATOM 321 C C . ILE 42 42 ? A 9.59774 18.74383 -4.09151 1 1 A ILE 79.030 1
ATOM 322 O O . ILE 42 42 ? A 10.78575 18.80389 -3.75870 1 1 A ILE 79.030 1
ATOM 323 C CB . ILE 42 42 ? A 8.13030 17.53379 -2.43644 1 1 A ILE 79.030 1
ATOM 324 C CG1 . ILE 42 42 ? A 7.07178 17.72241 -1.33926 1 1 A ILE 79.030 1
ATOM 325 C CG2 . ILE 42 42 ? A 9.36231 16.84844 -1.87112 1 1 A ILE 79.030 1
ATOM 326 C CD1 . ILE 42 42 ? A 6.51760 16.41637 -0.80766 1 1 A ILE 79.030 1
ATOM 327 N N . GLN 43 43 ? A 9.21671 18.56666 -5.34343 1 1 A GLN 78.948 1
ATOM 328 C CA . GLN 43 43 ? A 10.20481 18.38805 -6.39623 1 1 A GLN 78.948 1
ATOM 329 C C . GLN 43 43 ? A 11.03597 19.63870 -6.64212 1 1 A GLN 78.948 1
ATOM 330 O O . GLN 43 43 ? A 12.10805 19.55997 -7.24478 1 1 A GLN 78.948 1
ATOM 331 C CB . GLN 43 43 ? A 9.52066 17.96098 -7.69829 1 1 A GLN 78.948 1
ATOM 332 C CG . GLN 43 43 ? A 8.83164 16.60853 -7.61127 1 1 A GLN 78.948 1
ATOM 333 C CD . GLN 43 43 ? A 8.04152 16.28246 -8.85744 1 1 A GLN 78.948 1
ATOM 334 O OE1 . GLN 43 43 ? A 7.33249 17.13244 -9.39476 1 1 A GLN 78.948 1
ATOM 335 N NE2 . GLN 43 43 ? A 8.14652 15.04560 -9.32025 1 1 A GLN 78.948 1
ATOM 336 N N . ALA 44 44 ? A 10.54870 20.77629 -6.19316 1 1 A ALA 78.487 1
ATOM 337 C CA . ALA 44 44 ? A 11.26518 22.02748 -6.38313 1 1 A ALA 78.487 1
ATOM 338 C C . ALA 44 44 ? A 12.37488 22.23010 -5.36318 1 1 A ALA 78.487 1
ATOM 339 O O . ALA 44 44 ? A 13.19740 23.13443 -5.51776 1 1 A ALA 78.487 1
ATOM 340 C CB . ALA 44 44 ? A 10.29433 23.20769 -6.32604 1 1 A ALA 78.487 1
ATOM 341 N N . VAL 45 45 ? A 12.39517 21.42042 -4.32995 1 1 A VAL 81.117 1
ATOM 342 C CA . VAL 45 45 ? A 13.40024 21.55888 -3.29199 1 1 A VAL 81.117 1
ATOM 343 C C . VAL 45 45 ? A 14.75278 21.10450 -3.82873 1 1 A VAL 81.117 1
ATOM 344 O O . VAL 45 45 ? A 14.87354 20.03137 -4.41697 1 1 A VAL 81.117 1
ATOM 345 C CB . VAL 45 45 ? A 13.02375 20.74478 -2.03900 1 1 A VAL 81.117 1
ATOM 346 C CG1 . VAL 45 45 ? A 14.12684 20.83639 -0.99342 1 1 A VAL 81.117 1
ATOM 347 C CG2 . VAL 45 45 ? A 11.69894 21.24290 -1.48031 1 1 A VAL 81.117 1
ATOM 348 N N . ASP 46 46 ? A 15.78136 21.92145 -3.63402 1 1 A ASP 81.020 1
ATOM 349 C CA . ASP 46 46 ? A 17.12454 21.59561 -4.08492 1 1 A ASP 81.020 1
ATOM 350 C C . ASP 46 46 ? A 17.79246 20.68621 -3.05526 1 1 A ASP 81.020 1
ATOM 351 O O . ASP 46 46 ? A 18.11466 21.12252 -1.94065 1 1 A ASP 81.020 1
ATOM 352 C CB . ASP 46 46 ? A 17.95578 22.87318 -4.28518 1 1 A ASP 81.020 1
ATOM 353 C CG . ASP 46 46 ? A 19.30209 22.59529 -4.88903 1 1 A ASP 81.020 1
ATOM 354 O OD1 . ASP 46 46 ? A 19.59231 21.44283 -5.23444 1 1 A ASP 81.020 1
ATOM 355 O OD2 . ASP 46 46 ? A 20.06020 23.56812 -5.03563 1 1 A ASP 81.020 1
ATOM 356 N N . VAL 47 47 ? A 17.98026 19.44358 -3.43606 1 1 A VAL 80.172 1
ATOM 357 C CA . VAL 47 47 ? A 18.61476 18.47009 -2.56077 1 1 A VAL 80.172 1
ATOM 358 C C . VAL 47 47 ? A 19.94732 18.01754 -3.13119 1 1 A VAL 80.172 1
ATOM 359 O O . VAL 47 47 ? A 20.40390 16.90302 -2.87533 1 1 A VAL 80.172 1
ATOM 360 C CB . VAL 47 47 ? A 17.69479 17.25525 -2.30459 1 1 A VAL 80.172 1
ATOM 361 C CG1 . VAL 47 47 ? A 16.46046 17.69555 -1.52239 1 1 A VAL 80.172 1
ATOM 362 C CG2 . VAL 47 47 ? A 17.29912 16.60874 -3.62463 1 1 A VAL 80.172 1
ATOM 363 N N . THR 48 48 ? A 20.58250 18.87320 -3.90805 1 1 A THR 85.590 1
ATOM 364 C CA . THR 48 48 ? A 21.87005 18.54586 -4.49484 1 1 A THR 85.590 1
ATOM 365 C C . THR 48 48 ? A 22.88227 18.27088 -3.39208 1 1 A THR 85.590 1
ATOM 366 O O . THR 48 48 ? A 23.05856 19.07310 -2.48075 1 1 A THR 85.590 1
ATOM 367 C CB . THR 48 48 ? A 22.37543 19.68242 -5.38487 1 1 A THR 85.590 1
ATOM 368 O OG1 . THR 48 48 ? A 21.40803 19.96195 -6.40505 1 1 A THR 85.590 1
ATOM 369 C CG2 . THR 48 48 ? A 23.69167 19.29223 -6.03683 1 1 A THR 85.590 1
ATOM 370 N N . GLY 49 49 ? A 23.54229 17.12509 -3.48413 1 1 A GLY 86.670 1
ATOM 371 C CA . GLY 49 49 ? A 24.52926 16.73685 -2.50046 1 1 A GLY 86.670 1
ATOM 372 C C . GLY 49 49 ? A 23.98213 15.97261 -1.31990 1 1 A GLY 86.670 1
ATOM 373 O O . GLY 49 49 ? A 24.75907 15.45639 -0.51058 1 1 A GLY 86.670 1
ATOM 374 N N . VAL 50 50 ? A 22.66613 15.90581 -1.20749 1 1 A VAL 83.345 1
ATOM 375 C CA . VAL 50 50 ? A 22.04944 15.17685 -0.11448 1 1 A VAL 83.345 1
ATOM 376 C C . VAL 50 50 ? A 22.06316 13.68948 -0.43608 1 1 A VAL 83.345 1
ATOM 377 O O . VAL 50 50 ? A 21.62729 13.27340 -1.50510 1 1 A VAL 83.345 1
ATOM 378 C CB . VAL 50 50 ? A 20.60991 15.65325 0.14002 1 1 A VAL 83.345 1
ATOM 379 C CG1 . VAL 50 50 ? A 19.96298 14.84401 1.25712 1 1 A VAL 83.345 1
ATOM 380 C CG2 . VAL 50 50 ? A 20.61741 17.14013 0.47862 1 1 A VAL 83.345 1
ATOM 381 N N . GLU 51 51 ? A 22.56652 12.89288 0.48936 1 1 A GLU 82.324 1
ATOM 382 C CA . GLU 51 51 ? A 22.63629 11.45698 0.28232 1 1 A GLU 82.324 1
ATOM 383 C C . GLU 51 51 ? A 21.24030 10.85628 0.25896 1 1 A GLU 82.324 1
ATOM 384 O O . GLU 51 51 ? A 20.37712 11.23874 1.04243 1 1 A GLU 82.324 1
ATOM 385 C CB . GLU 51 51 ? A 23.46253 10.79837 1.38508 1 1 A GLU 82.324 1
ATOM 386 C CG . GLU 51 51 ? A 24.93929 11.15696 1.33851 1 1 A GLU 82.324 1
ATOM 387 C CD . GLU 51 51 ? A 25.64093 10.56366 0.13895 1 1 A GLU 82.324 1
ATOM 388 O OE1 . GLU 51 51 ? A 25.17700 9.52117 -0.37507 1 1 A GLU 82.324 1
ATOM 389 O OE2 . GLU 51 51 ? A 26.66981 11.13877 -0.28775 1 1 A GLU 82.324 1
ATOM 390 N N . PRO 52 52 ? A 21.00154 9.92242 -0.64841 1 1 A PRO 79.608 1
ATOM 391 C CA . PRO 52 52 ? A 19.70427 9.25883 -0.67502 1 1 A PRO 79.608 1
ATOM 392 C C . PRO 52 52 ? A 19.42881 8.51993 0.62928 1 1 A PRO 79.608 1
ATOM 393 O O . PRO 52 52 ? A 20.33268 7.96183 1.24536 1 1 A PRO 79.608 1
ATOM 394 C CB . PRO 52 52 ? A 19.82285 8.28253 -1.84714 1 1 A PRO 79.608 1
ATOM 395 C CG . PRO 52 52 ? A 20.90757 8.84043 -2.70332 1 1 A PRO 79.608 1
ATOM 396 C CD . PRO 52 52 ? A 21.87589 9.48688 -1.75126 1 1 A PRO 79.608 1
ATOM 397 N N . THR 53 53 ? A 18.16694 8.53298 1.03197 1 1 A THR 77.101 1
ATOM 398 C CA . THR 53 53 ? A 17.73803 7.84333 2.24063 1 1 A THR 77.101 1
ATOM 399 C C . THR 53 53 ? A 16.67914 6.82709 1.86214 1 1 A THR 77.101 1
ATOM 400 O O . THR 53 53 ? A 15.52045 7.17423 1.65236 1 1 A THR 77.101 1
ATOM 401 C CB . THR 53 53 ? A 17.19069 8.82455 3.28131 1 1 A THR 77.101 1
ATOM 402 O OG1 . THR 53 53 ? A 18.20768 9.78480 3.60697 1 1 A THR 77.101 1
ATOM 403 C CG2 . THR 53 53 ? A 16.78426 8.08413 4.54503 1 1 A THR 77.101 1
ATOM 404 N N . ASP 54 54 ? A 17.08611 5.58139 1.74535 1 1 A ASP 70.763 1
ATOM 405 C CA . ASP 54 54 ? A 16.15685 4.50974 1.42625 1 1 A ASP 70.763 1
ATOM 406 C C . ASP 54 54 ? A 15.40321 4.03340 2.65184 1 1 A ASP 70.763 1
ATOM 407 O O . ASP 54 54 ? A 14.30332 3.48694 2.53788 1 1 A ASP 70.763 1
ATOM 408 C CB . ASP 54 54 ? A 16.89158 3.32178 0.79339 1 1 A ASP 70.763 1
ATOM 409 C CG . ASP 54 54 ? A 17.47961 3.66691 -0.56134 1 1 A ASP 70.763 1
ATOM 410 O OD1 . ASP 54 54 ? A 17.02345 4.64383 -1.18184 1 1 A ASP 70.763 1
ATOM 411 O OD2 . ASP 54 54 ? A 18.39944 2.94652 -1.00600 1 1 A ASP 70.763 1
ATOM 412 N N . ASN 55 55 ? A 15.98678 4.22750 3.80535 1 1 A ASN 69.346 1
ATOM 413 C CA . ASN 55 55 ? A 15.40222 3.78217 5.06023 1 1 A ASN 69.346 1
ATOM 414 C C . ASN 55 55 ? A 15.76315 4.79588 6.13214 1 1 A ASN 69.346 1
ATOM 415 O O . ASN 55 55 ? A 16.94312 5.05791 6.35676 1 1 A ASN 69.346 1
ATOM 416 C CB . ASN 55 55 ? A 15.93024 2.38836 5.42344 1 1 A ASN 69.346 1
ATOM 417 C CG . ASN 55 55 ? A 15.18659 1.76867 6.59356 1 1 A ASN 69.346 1
ATOM 418 O OD1 . ASN 55 55 ? A 14.58840 2.46349 7.41997 1 1 A ASN 69.346 1
ATOM 419 N ND2 . ASN 55 55 ? A 15.22475 0.44109 6.67319 1 1 A ASN 69.346 1
ATOM 420 N N . PRO 56 56 ? A 14.76391 5.38601 6.79314 1 1 A PRO 73.109 1
ATOM 421 C CA . PRO 56 56 ? A 15.08169 6.38333 7.81617 1 1 A PRO 73.109 1
ATOM 422 C C . PRO 56 56 ? A 15.72586 5.80027 9.06300 1 1 A PRO 73.109 1
ATOM 423 O O . PRO 56 56 ? A 16.28399 6.55209 9.86541 1 1 A PRO 73.109 1
ATOM 424 C CB . PRO 56 56 ? A 13.71487 6.99607 8.14184 1 1 A PRO 73.109 1
ATOM 425 C CG . PRO 56 56 ? A 12.73322 5.92070 7.80751 1 1 A PRO 73.109 1
ATOM 426 C CD . PRO 56 56 ? A 13.31654 5.20043 6.62101 1 1 A PRO 73.109 1
ATOM 427 N N . LEU 57 57 ? A 15.66661 4.49533 9.25625 1 1 A LEU 70.234 1
ATOM 428 C CA . LEU 57 57 ? A 16.27732 3.86903 10.40935 1 1 A LEU 70.234 1
ATOM 429 C C . LEU 57 57 ? A 17.79111 3.91254 10.29272 1 1 A LEU 70.234 1
ATOM 430 O O . LEU 57 57 ? A 18.35646 3.71693 9.22102 1 1 A LEU 70.234 1
ATOM 431 C CB . LEU 57 57 ? A 15.81050 2.42060 10.56306 1 1 A LEU 70.234 1
ATOM 432 C CG . LEU 57 57 ? A 14.31411 2.23351 10.79337 1 1 A LEU 70.234 1
ATOM 433 C CD1 . LEU 57 57 ? A 13.95511 0.75794 10.83611 1 1 A LEU 70.234 1
ATOM 434 C CD2 . LEU 57 57 ? A 13.87758 2.93744 12.06998 1 1 A LEU 70.234 1
ATOM 435 N N . LYS 58 58 ? A 18.43929 4.18304 11.40614 1 1 A LYS 69.653 1
ATOM 436 C CA . LYS 58 58 ? A 19.89117 4.29085 11.40502 1 1 A LYS 69.653 1
ATOM 437 C C . LYS 58 58 ? A 20.56738 2.93040 11.29039 1 1 A LYS 69.653 1
ATOM 438 O O . LYS 58 58 ? A 21.63657 2.81503 10.69453 1 1 A LYS 69.653 1
ATOM 439 C CB . LYS 58 58 ? A 20.36233 5.00671 12.67222 1 1 A LYS 69.653 1
ATOM 440 C CG . LYS 58 58 ? A 21.83850 5.33976 12.68279 1 1 A LYS 69.653 1
ATOM 441 C CD . LYS 58 58 ? A 22.19158 6.25401 13.83794 1 1 A LYS 69.653 1
ATOM 442 C CE . LYS 58 58 ? A 23.63648 6.70013 13.77277 1 1 A LYS 69.653 1
ATOM 443 N NZ . LYS 58 58 ? A 23.95751 7.69867 14.82235 1 1 A LYS 69.653 1
ATOM 444 N N . TYR 59 59 ? A 19.96517 1.90298 11.85991 1 1 A TYR 72.936 1
ATOM 445 C CA . TYR 59 59 ? A 20.53999 0.57197 11.86529 1 1 A TYR 72.936 1
ATOM 446 C C . TYR 59 59 ? A 19.87459 -0.28820 10.80851 1 1 A TYR 72.936 1
ATOM 447 O O . TYR 59 59 ? A 18.67767 -0.17996 10.55746 1 1 A TYR 72.936 1
ATOM 448 C CB . TYR 59 59 ? A 20.39778 -0.07233 13.24636 1 1 A TYR 72.936 1
ATOM 449 C CG . TYR 59 59 ? A 21.01663 0.75655 14.34345 1 1 A TYR 72.936 1
ATOM 450 C CD1 . TYR 59 59 ? A 22.39677 0.84961 14.46931 1 1 A TYR 72.936 1
ATOM 451 C CD2 . TYR 59 59 ? A 20.21957 1.45161 15.24960 1 1 A TYR 72.936 1
ATOM 452 C CE1 . TYR 59 59 ? A 22.97557 1.61444 15.47402 1 1 A TYR 72.936 1
ATOM 453 C CE2 . TYR 59 59 ? A 20.79170 2.21921 16.25739 1 1 A TYR 72.936 1
ATOM 454 C CZ . TYR 59 59 ? A 22.16727 2.29700 16.36796 1 1 A TYR 72.936 1
ATOM 455 O OH . TYR 59 59 ? A 22.73240 3.05197 17.36351 1 1 A TYR 72.936 1
ATOM 456 N N . VAL 60 60 ? A 20.67425 -1.13450 10.17914 1 1 A VAL 69.663 1
ATOM 457 C CA . VAL 60 60 ? A 20.19995 -2.00218 9.11779 1 1 A VAL 69.663 1
ATOM 458 C C . VAL 60 60 ? A 20.62234 -3.43224 9.39397 1 1 A VAL 69.663 1
ATOM 459 O O . VAL 60 60 ? A 21.43174 -3.69516 10.28243 1 1 A VAL 69.663 1
ATOM 460 C CB . VAL 60 60 ? A 20.72413 -1.54819 7.74119 1 1 A VAL 69.663 1
ATOM 461 C CG1 . VAL 60 60 ? A 20.17692 -0.16711 7.39609 1 1 A VAL 69.663 1
ATOM 462 C CG2 . VAL 60 60 ? A 22.24459 -1.55663 7.72373 1 1 A VAL 69.663 1
ATOM 463 N N . ASN 61 61 ? A 20.07744 -4.34843 8.61667 1 1 A ASN 78.950 1
ATOM 464 C CA . ASN 61 61 ? A 20.42423 -5.75781 8.70435 1 1 A ASN 78.950 1
ATOM 465 C C . ASN 61 61 ? A 20.23526 -6.28107 10.11869 1 1 A ASN 78.950 1
ATOM 466 O O . ASN 61 61 ? A 21.14208 -6.86164 10.72079 1 1 A ASN 78.950 1
ATOM 467 C CB . ASN 61 61 ? A 21.85617 -6.00202 8.21900 1 1 A ASN 78.950 1
ATOM 468 C CG . ASN 61 61 ? A 22.01924 -5.67798 6.75192 1 1 A ASN 78.950 1
ATOM 469 O OD1 . ASN 61 61 ? A 21.08024 -5.80599 5.96559 1 1 A ASN 78.950 1
ATOM 470 N ND2 . ASN 61 61 ? A 23.21550 -5.25659 6.36733 1 1 A ASN 78.950 1
ATOM 471 N N . ILE 62 62 ? A 19.04602 -6.05698 10.64719 1 1 A ILE 79.896 1
ATOM 472 C CA . ILE 62 62 ? A 18.72603 -6.53746 11.97793 1 1 A ILE 79.896 1
ATOM 473 C C . ILE 62 62 ? A 18.59343 -8.05409 11.93830 1 1 A ILE 79.896 1
ATOM 474 O O . ILE 62 62 ? A 17.81267 -8.59987 11.16125 1 1 A ILE 79.896 1
ATOM 475 C CB . ILE 62 62 ? A 17.43080 -5.89846 12.49875 1 1 A ILE 79.896 1
ATOM 476 C CG1 . ILE 62 62 ? A 17.52339 -4.37327 12.40891 1 1 A ILE 79.896 1
ATOM 477 C CG2 . ILE 62 62 ? A 17.15332 -6.34864 13.92187 1 1 A ILE 79.896 1
ATOM 478 C CD1 . ILE 62 62 ? A 18.66048 -3.77000 13.20096 1 1 A ILE 79.896 1
ATOM 479 N N . THR 63 63 ? A 19.35554 -8.71838 12.77773 1 1 A THR 89.770 1
ATOM 480 C CA . THR 63 63 ? A 19.36710 -10.16943 12.80851 1 1 A THR 89.770 1
ATOM 481 C C . THR 63 63 ? A 19.27688 -10.66065 14.24231 1 1 A THR 89.770 1
ATOM 482 O O . THR 63 63 ? A 19.45905 -9.90204 15.19455 1 1 A THR 89.770 1
ATOM 483 C CB . THR 63 63 ? A 20.63487 -10.73934 12.15611 1 1 A THR 89.770 1
ATOM 484 O OG1 . THR 63 63 ? A 21.78366 -10.23845 12.85617 1 1 A THR 89.770 1
ATOM 485 C CG2 . THR 63 63 ? A 20.72182 -10.32300 10.69525 1 1 A THR 89.770 1
ATOM 486 N N . ARG 64 64 ? A 19.00259 -11.93311 14.36914 1 1 A ARG 88.041 1
ATOM 487 C CA . ARG 64 64 ? A 18.99964 -12.58051 15.66598 1 1 A ARG 88.041 1
ATOM 488 C C . ARG 64 64 ? A 19.36261 -14.03802 15.47106 1 1 A ARG 88.041 1
ATOM 489 O O . ARG 64 64 ? A 19.27541 -14.56196 14.36378 1 1 A ARG 88.041 1
ATOM 490 C CB . ARG 64 64 ? A 17.64392 -12.44700 16.37081 1 1 A ARG 88.041 1
ATOM 491 C CG . ARG 64 64 ? A 16.49029 -13.09546 15.64676 1 1 A ARG 88.041 1
ATOM 492 C CD . ARG 64 64 ? A 15.20216 -12.87829 16.42169 1 1 A ARG 88.041 1
ATOM 493 N NE . ARG 64 64 ? A 14.03436 -13.39417 15.70747 1 1 A ARG 88.041 1
ATOM 494 C CZ . ARG 64 64 ? A 12.78450 -13.29727 16.14187 1 1 A ARG 88.041 1
ATOM 495 N NH1 . ARG 64 64 ? A 12.52931 -12.70067 17.30955 1 1 A ARG 88.041 1
ATOM 496 N NH2 . ARG 64 64 ? A 11.78603 -13.78852 15.41558 1 1 A ARG 88.041 1
ATOM 497 N N . PRO 65 65 ? A 19.81050 -14.69498 16.52419 1 1 A PRO 93.870 1
ATOM 498 C CA . PRO 65 65 ? A 20.21280 -16.08884 16.37909 1 1 A PRO 93.870 1
ATOM 499 C C . PRO 65 65 ? A 19.06048 -16.96621 15.90643 1 1 A PRO 93.870 1
ATOM 500 O O . PRO 65 65 ? A 17.89693 -16.70319 16.20883 1 1 A PRO 93.870 1
ATOM 501 C CB . PRO 65 65 ? A 20.65510 -16.48599 17.79055 1 1 A PRO 93.870 1
ATOM 502 C CG . PRO 65 65 ? A 21.03732 -15.20684 18.43676 1 1 A PRO 93.870 1
ATOM 503 C CD . PRO 65 65 ? A 20.09077 -14.17961 17.88200 1 1 A PRO 93.870 1
ATOM 504 N N . ASP 66 66 ? A 19.39867 -18.00665 15.16707 1 1 A ASP 93.680 1
ATOM 505 C CA . ASP 66 66 ? A 18.42874 -18.98727 14.71111 1 1 A ASP 93.680 1
ATOM 506 C C . ASP 66 66 ? A 18.16233 -19.96030 15.84875 1 1 A ASP 93.680 1
ATOM 507 O O . ASP 66 66 ? A 18.69717 -21.06959 15.88144 1 1 A ASP 93.680 1
ATOM 508 C CB . ASP 66 66 ? A 18.94375 -19.70790 13.46675 1 1 A ASP 93.680 1
ATOM 509 C CG . ASP 66 66 ? A 17.92140 -20.66431 12.88334 1 1 A ASP 93.680 1
ATOM 510 O OD1 . ASP 66 66 ? A 16.72956 -20.56334 13.24490 1 1 A ASP 93.680 1
ATOM 511 O OD2 . ASP 66 66 ? A 18.31511 -21.51715 12.05602 1 1 A ASP 93.680 1
ATOM 512 N N . GLU 67 67 ? A 17.35811 -19.49987 16.79198 1 1 A GLU 94.210 1
ATOM 513 C CA . GLU 67 67 ? A 17.06438 -20.26984 17.98947 1 1 A GLU 94.210 1
ATOM 514 C C . GLU 67 67 ? A 15.56638 -20.30393 18.22367 1 1 A GLU 94.210 1
ATOM 515 O O . GLU 67 67 ? A 14.83787 -19.39095 17.84779 1 1 A GLU 94.210 1
ATOM 516 C CB . GLU 67 67 ? A 17.76869 -19.67849 19.21112 1 1 A GLU 94.210 1
ATOM 517 C CG . GLU 67 67 ? A 19.28370 -19.71518 19.13542 1 1 A GLU 94.210 1
ATOM 518 C CD . GLU 67 67 ? A 19.94017 -19.05915 20.33325 1 1 A GLU 94.210 1
ATOM 519 O OE1 . GLU 67 67 ? A 19.21874 -18.45529 21.16088 1 1 A GLU 94.210 1
ATOM 520 O OE2 . GLU 67 67 ? A 21.18047 -19.14071 20.44791 1 1 A GLU 94.210 1
ATOM 521 N N . THR 68 68 ? A 15.12286 -21.37096 18.85730 1 1 A THR 91.664 1
ATOM 522 C CA . THR 68 68 ? A 13.71060 -21.53972 19.14065 1 1 A THR 91.664 1
ATOM 523 C C . THR 68 68 ? A 13.24750 -20.51221 20.15791 1 1 A THR 91.664 1
ATOM 524 O O . THR 68 68 ? A 13.91084 -20.26903 21.16352 1 1 A THR 91.664 1
ATOM 525 C CB . THR 68 68 ? A 13.43645 -22.95111 19.65906 1 1 A THR 91.664 1
ATOM 526 O OG1 . THR 68 68 ? A 13.83083 -23.90430 18.66324 1 1 A THR 91.664 1
ATOM 527 C CG2 . THR 68 68 ? A 11.95862 -23.13614 19.96841 1 1 A THR 91.664 1
ATOM 528 N N . VAL 69 69 ? A 12.11849 -19.89674 19.87721 1 1 A VAL 89.523 1
ATOM 529 C CA . VAL 69 69 ? A 11.48105 -18.95826 20.78002 1 1 A VAL 89.523 1
ATOM 530 C C . VAL 69 69 ? A 10.01081 -19.32829 20.88354 1 1 A VAL 89.523 1
ATOM 531 O O . VAL 69 69 ? A 9.49159 -20.07083 20.04925 1 1 A VAL 89.523 1
ATOM 532 C CB . VAL 69 69 ? A 11.63688 -17.50108 20.30151 1 1 A VAL 89.523 1
ATOM 533 C CG1 . VAL 69 69 ? A 13.10555 -17.09837 20.29579 1 1 A VAL 89.523 1
ATOM 534 C CG2 . VAL 69 69 ? A 11.00760 -17.32369 18.93231 1 1 A VAL 89.523 1
ATOM 535 N N . PRO 70 70 ? A 9.33903 -18.83672 21.89986 1 1 A PRO 90.859 1
ATOM 536 C CA . PRO 70 70 ? A 7.91075 -19.12802 21.99392 1 1 A PRO 90.859 1
ATOM 537 C C . PRO 70 70 ? A 7.16094 -18.67356 20.75010 1 1 A PRO 90.859 1
ATOM 538 O O . PRO 70 70 ? A 7.48839 -17.65091 20.14702 1 1 A PRO 90.859 1
ATOM 539 C CB . PRO 70 70 ? A 7.46847 -18.34116 23.22972 1 1 A PRO 90.859 1
ATOM 540 C CG . PRO 70 70 ? A 8.70605 -18.21474 24.05319 1 1 A PRO 90.859 1
ATOM 541 C CD . PRO 70 70 ? A 9.82974 -18.07438 23.06281 1 1 A PRO 90.859 1
ATOM 542 N N . CYS 71 71 ? A 6.16010 -19.44310 20.37484 1 1 A CYS 89.229 1
ATOM 543 C CA . CYS 71 71 ? A 5.39269 -19.15244 19.18560 1 1 A CYS 89.229 1
ATOM 544 C C . CYS 71 71 ? A 3.93553 -19.50062 19.42347 1 1 A CYS 89.229 1
ATOM 545 O O . CYS 71 71 ? A 3.57040 -20.08673 20.44666 1 1 A CYS 89.229 1
ATOM 546 C CB . CYS 71 71 ? A 5.94593 -19.91647 17.97421 1 1 A CYS 89.229 1
ATOM 547 S SG . CYS 71 71 ? A 5.85355 -21.71387 18.13784 1 1 A CYS 89.229 1
ATOM 548 N N . LEU 72 72 ? A 3.10990 -19.13067 18.46523 1 1 A LEU 92.950 1
ATOM 549 C CA . LEU 72 72 ? A 1.69173 -19.39763 18.55416 1 1 A LEU 92.950 1
ATOM 550 C C . LEU 72 72 ? A 1.41302 -20.88286 18.38839 1 1 A LEU 92.950 1
ATOM 551 O O . LEU 72 72 ? A 2.13750 -21.59656 17.69838 1 1 A LEU 92.950 1
ATOM 552 C CB . LEU 72 72 ? A 0.92785 -18.62754 17.48184 1 1 A LEU 92.950 1
ATOM 553 C CG . LEU 72 72 ? A 1.06011 -17.10707 17.46234 1 1 A LEU 92.950 1
ATOM 554 C CD1 . LEU 72 72 ? A 0.32004 -16.54320 16.26300 1 1 A LEU 92.950 1
ATOM 555 C CD2 . LEU 72 72 ? A 0.54593 -16.51208 18.76020 1 1 A LEU 92.950 1
ATOM 556 N N . THR 73 73 ? A 0.36643 -21.33990 19.03724 1 1 A THR 93.552 1
ATOM 557 C CA . THR 73 73 ? A -0.14501 -22.65784 18.73057 1 1 A THR 93.552 1
ATOM 558 C C . THR 73 73 ? A -0.81302 -22.60924 17.36224 1 1 A THR 93.552 1
ATOM 559 O O . THR 73 73 ? A -1.10464 -21.54153 16.82264 1 1 A THR 93.552 1
ATOM 560 C CB . THR 73 73 ? A -1.15721 -23.12900 19.77693 1 1 A THR 93.552 1
ATOM 561 O OG1 . THR 73 73 ? A -2.31386 -22.28749 19.71320 1 1 A THR 93.552 1
ATOM 562 C CG2 . THR 73 73 ? A -0.55473 -23.06156 21.17167 1 1 A THR 93.552 1
ATOM 563 N N . GLN 74 74 ? A -1.06614 -23.76873 16.80197 1 1 A GLN 92.099 1
ATOM 564 C CA . GLN 74 74 ? A -1.72364 -23.82032 15.50648 1 1 A GLN 92.099 1
ATOM 565 C C . GLN 74 74 ? A -3.11328 -23.20106 15.58049 1 1 A GLN 92.099 1
ATOM 566 O O . GLN 74 74 ? A -3.54052 -22.49358 14.67137 1 1 A GLN 92.099 1
ATOM 567 C CB . GLN 74 74 ? A -1.80201 -25.26111 15.01174 1 1 A GLN 92.099 1
ATOM 568 C CG . GLN 74 74 ? A -2.17882 -25.39019 13.55397 1 1 A GLN 92.099 1
ATOM 569 C CD . GLN 74 74 ? A -2.02934 -26.80692 13.05205 1 1 A GLN 92.099 1
ATOM 570 O OE1 . GLN 74 74 ? A -2.66743 -27.72670 13.56827 1 1 A GLN 92.099 1
ATOM 571 N NE2 . GLN 74 74 ? A -1.18460 -26.99878 12.05379 1 1 A GLN 92.099 1
ATOM 572 N N . GLN 75 75 ? A -3.81777 -23.45718 16.67670 1 1 A GLN 93.034 1
ATOM 573 C CA . GLN 75 75 ? A -5.13618 -22.87426 16.84383 1 1 A GLN 93.034 1
ATOM 574 C C . GLN 75 75 ? A -5.06650 -21.35453 16.86462 1 1 A GLN 93.034 1
ATOM 575 O O . GLN 75 75 ? A -5.89292 -20.67315 16.25241 1 1 A GLN 93.034 1
ATOM 576 C CB . GLN 75 75 ? A -5.78141 -23.39581 18.12409 1 1 A GLN 93.034 1
ATOM 577 C CG . GLN 75 75 ? A -7.17840 -22.86213 18.38021 1 1 A GLN 93.034 1
ATOM 578 C CD . GLN 75 75 ? A -7.77566 -23.38066 19.67237 1 1 A GLN 93.034 1
ATOM 579 O OE1 . GLN 75 75 ? A -7.15215 -24.14970 20.39837 1 1 A GLN 93.034 1
ATOM 580 N NE2 . GLN 75 75 ? A -8.99643 -22.96079 19.96649 1 1 A GLN 93.034 1
ATOM 581 N N . GLN 76 76 ? A -4.07850 -20.81071 17.56392 1 1 A GLN 95.232 1
ATOM 582 C CA . GLN 76 76 ? A -3.92390 -19.36668 17.62248 1 1 A GLN 95.232 1
ATOM 583 C C . GLN 76 76 ? A -3.52778 -18.78969 16.26955 1 1 A GLN 95.232 1
ATOM 584 O O . GLN 76 76 ? A -3.99094 -17.71260 15.88309 1 1 A GLN 95.232 1
ATOM 585 C CB . GLN 76 76 ? A -2.88623 -18.98760 18.67745 1 1 A GLN 95.232 1
ATOM 586 C CG . GLN 76 76 ? A -3.32840 -19.25653 20.10741 1 1 A GLN 95.232 1
ATOM 587 C CD . GLN 76 76 ? A -2.19839 -19.12890 21.10438 1 1 A GLN 95.232 1
ATOM 588 O OE1 . GLN 76 76 ? A -1.05272 -19.46819 20.81061 1 1 A GLN 95.232 1
ATOM 589 N NE2 . GLN 76 76 ? A -2.51077 -18.63997 22.29634 1 1 A GLN 95.232 1
ATOM 590 N N . ALA 77 77 ? A -2.66759 -19.49550 15.54696 1 1 A ALA 94.521 1
ATOM 591 C CA . ALA 77 77 ? A -2.22762 -19.01431 14.24693 1 1 A ALA 94.521 1
ATOM 592 C C . ALA 77 77 ? A -3.37762 -18.95443 13.25375 1 1 A ALA 94.521 1
ATOM 593 O O . ALA 77 77 ? A -3.38840 -18.10002 12.36576 1 1 A ALA 94.521 1
ATOM 594 C CB . ALA 77 77 ? A -1.11249 -19.90585 13.70812 1 1 A ALA 94.521 1
ATOM 595 N N . LEU 78 78 ? A -4.33925 -19.84444 13.39093 1 1 A LEU 95.042 1
ATOM 596 C CA . LEU 78 78 ? A -5.45933 -19.91930 12.47027 1 1 A LEU 95.042 1
ATOM 597 C C . LEU 78 78 ? A -6.68918 -19.17545 12.96237 1 1 A LEU 95.042 1
ATOM 598 O O . LEU 78 78 ? A -7.74144 -19.24068 12.32570 1 1 A LEU 95.042 1
ATOM 599 C CB . LEU 78 78 ? A -5.82075 -21.38085 12.20110 1 1 A LEU 95.042 1
ATOM 600 C CG . LEU 78 78 ? A -4.74395 -22.23334 11.53612 1 1 A LEU 95.042 1
ATOM 601 C CD1 . LEU 78 78 ? A -5.15154 -23.70349 11.54410 1 1 A LEU 95.042 1
ATOM 602 C CD2 . LEU 78 78 ? A -4.49563 -21.75463 10.11660 1 1 A LEU 95.042 1
ATOM 603 N N . ALA 79 79 ? A -6.56461 -18.44703 14.06908 1 1 A ALA 94.704 1
ATOM 604 C CA . ALA 79 79 ? A -7.73437 -17.83666 14.68251 1 1 A ALA 94.704 1
ATOM 605 C C . ALA 79 79 ? A -8.43295 -16.84756 13.76357 1 1 A ALA 94.704 1
ATOM 606 O O . ALA 79 79 ? A -9.65549 -16.70022 13.81901 1 1 A ALA 94.704 1
ATOM 607 C CB . ALA 79 79 ? A -7.34287 -17.14875 15.98727 1 1 A ALA 94.704 1
ATOM 608 N N . GLU 80 80 ? A -7.68085 -16.15899 12.92110 1 1 A GLU 89.991 1
ATOM 609 C CA . GLU 80 80 ? A -8.25075 -15.14920 12.04553 1 1 A GLU 89.991 1
ATOM 610 C C . GLU 80 80 ? A -8.37599 -15.61445 10.60521 1 1 A GLU 89.991 1
ATOM 611 O O . GLU 80 80 ? A -8.63030 -14.80972 9.70915 1 1 A GLU 89.991 1
ATOM 612 C CB . GLU 80 80 ? A -7.42200 -13.86995 12.11192 1 1 A GLU 89.991 1
ATOM 613 C CG . GLU 80 80 ? A -7.37148 -13.25314 13.49729 1 1 A GLU 89.991 1
ATOM 614 C CD . GLU 80 80 ? A -6.57458 -11.97482 13.54817 1 1 A GLU 89.991 1
ATOM 615 O OE1 . GLU 80 80 ? A -6.69576 -11.15383 12.61274 1 1 A GLU 89.991 1
ATOM 616 O OE2 . GLU 80 80 ? A -5.82977 -11.78245 14.52267 1 1 A GLU 89.991 1
ATOM 617 N N . ALA 81 81 ? A -8.21449 -16.89958 10.37268 1 1 A ALA 92.613 1
ATOM 618 C CA . ALA 81 81 ? A -8.36238 -17.42252 9.02559 1 1 A ALA 92.613 1
ATOM 619 C C . ALA 81 81 ? A -9.82807 -17.38933 8.61229 1 1 A ALA 92.613 1
ATOM 620 O O . ALA 81 81 ? A -10.70052 -17.74147 9.40286 1 1 A ALA 92.613 1
ATOM 621 C CB . ALA 81 81 ? A -7.83032 -18.84744 8.94329 1 1 A ALA 92.613 1
ATOM 622 N N . PRO 82 82 ? A -10.10480 -16.96778 7.38377 1 1 A PRO 90.644 1
ATOM 623 C CA . PRO 82 82 ? A -11.48823 -17.04725 6.90657 1 1 A PRO 90.644 1
ATOM 624 C C . PRO 82 82 ? A -12.03117 -18.46331 6.95877 1 1 A PRO 90.644 1
ATOM 625 O O . PRO 82 82 ? A -13.21617 -18.67238 7.24930 1 1 A PRO 90.644 1
ATOM 626 C CB . PRO 82 82 ? A -11.38081 -16.54164 5.46210 1 1 A PRO 90.644 1
ATOM 627 C CG . PRO 82 82 ? A -10.17636 -15.67459 5.45511 1 1 A PRO 90.644 1
ATOM 628 C CD . PRO 82 82 ? A -9.21244 -16.31068 6.41393 1 1 A PRO 90.644 1
ATOM 629 N N . GLU 83 83 ? A -11.17699 -19.43446 6.68366 1 1 A GLU 91.967 1
ATOM 630 C CA . GLU 83 83 ? A -11.55308 -20.83035 6.76702 1 1 A GLU 91.967 1
ATOM 631 C C . GLU 83 83 ? A -10.31350 -21.65281 7.05385 1 1 A GLU 91.967 1
ATOM 632 O O . GLU 83 83 ? A -9.24811 -21.40374 6.49347 1 1 A GLU 91.967 1
ATOM 633 C CB . GLU 83 83 ? A -12.22019 -21.31059 5.47893 1 1 A GLU 91.967 1
ATOM 634 C CG . GLU 83 83 ? A -12.79767 -22.71407 5.55715 1 1 A GLU 91.967 1
ATOM 635 C CD . GLU 83 83 ? A -13.49560 -23.13111 4.28046 1 1 A GLU 91.967 1
ATOM 636 O OE1 . GLU 83 83 ? A -13.50003 -22.34912 3.31295 1 1 A GLU 91.967 1
ATOM 637 O OE2 . GLU 83 83 ? A -14.04478 -24.25100 4.24705 1 1 A GLU 91.967 1
ATOM 638 N N . ALA 84 84 ? A -10.45225 -22.62396 7.95766 1 1 A ALA 93.405 1
ATOM 639 C CA . ALA 84 84 ? A -9.34882 -23.48706 8.33128 1 1 A ALA 93.405 1
ATOM 640 C C . ALA 84 84 ? A -9.85801 -24.91051 8.43856 1 1 A ALA 93.405 1
ATOM 641 O O . ALA 84 84 ? A -10.86632 -25.16904 9.09339 1 1 A ALA 93.405 1
ATOM 642 C CB . ALA 84 84 ? A -8.71782 -23.04427 9.64503 1 1 A ALA 93.405 1
ATOM 643 N N . ILE 85 85 ? A -9.15904 -25.81310 7.79592 1 1 A ILE 91.608 1
ATOM 644 C CA . ILE 85 85 ? A -9.50352 -27.22238 7.80904 1 1 A ILE 91.608 1
ATOM 645 C C . ILE 85 85 ? A -8.23042 -28.02300 8.01718 1 1 A ILE 91.608 1
ATOM 646 O O . ILE 85 85 ? A -7.20117 -27.74049 7.40403 1 1 A ILE 91.608 1
ATOM 647 C CB . ILE 85 85 ? A -10.19472 -27.65746 6.50049 1 1 A ILE 91.608 1
ATOM 648 C CG1 . ILE 85 85 ? A -11.50687 -26.88862 6.30370 1 1 A ILE 91.608 1
ATOM 649 C CG2 . ILE 85 85 ? A -10.44756 -29.15012 6.48075 1 1 A ILE 91.608 1
ATOM 650 C CD1 . ILE 85 85 ? A -12.57971 -27.23555 7.31059 1 1 A ILE 91.608 1
ATOM 651 N N . TYR 86 86 ? A -8.28907 -29.01408 8.90241 1 1 A TYR 91.782 1
ATOM 652 C CA . TYR 86 86 ? A -7.16244 -29.88978 9.18482 1 1 A TYR 91.782 1
ATOM 653 C C . TYR 86 86 ? A -5.92877 -29.10965 9.60996 1 1 A TYR 91.782 1
ATOM 654 O O . TYR 86 86 ? A -4.79994 -29.46644 9.27246 1 1 A TYR 91.782 1
ATOM 655 C CB . TYR 86 86 ? A -6.82848 -30.77455 7.97671 1 1 A TYR 91.782 1
ATOM 656 C CG . TYR 86 86 ? A -7.97099 -31.64826 7.52418 1 1 A TYR 91.782 1
ATOM 657 C CD1 . TYR 86 86 ? A -8.69833 -32.40062 8.43930 1 1 A TYR 91.782 1
ATOM 658 C CD2 . TYR 86 86 ? A -8.31902 -31.73481 6.18036 1 1 A TYR 91.782 1
ATOM 659 C CE1 . TYR 86 86 ? A -9.74569 -33.21211 8.02960 1 1 A TYR 91.782 1
ATOM 660 C CE2 . TYR 86 86 ? A -9.35619 -32.54324 5.76060 1 1 A TYR 91.782 1
ATOM 661 C CZ . TYR 86 86 ? A -10.06999 -33.28247 6.68593 1 1 A TYR 91.782 1
ATOM 662 O OH . TYR 86 86 ? A -11.09912 -34.08908 6.27554 1 1 A TYR 91.782 1
ATOM 663 N N . GLY 87 87 ? A -6.13620 -28.01369 10.34908 1 1 A GLY 92.819 1
ATOM 664 C CA . GLY 87 87 ? A -5.02375 -27.22188 10.82502 1 1 A GLY 92.819 1
ATOM 665 C C . GLY 87 87 ? A -4.31286 -26.42579 9.76108 1 1 A GLY 92.819 1
ATOM 666 O O . GLY 87 87 ? A -3.13713 -26.09382 9.93596 1 1 A GLY 92.819 1
ATOM 667 N N . ARG 88 88 ? A -4.98817 -26.10716 8.68534 1 1 A ARG 92.632 1
ATOM 668 C CA . ARG 88 88 ? A -4.38784 -25.38666 7.58412 1 1 A ARG 92.632 1
ATOM 669 C C . ARG 88 88 ? A -5.31313 -24.28474 7.10863 1 1 A ARG 92.632 1
ATOM 670 O O . ARG 88 88 ? A -6.52888 -24.35802 7.26323 1 1 A ARG 92.632 1
ATOM 671 C CB . ARG 88 88 ? A -4.08002 -26.32172 6.41554 1 1 A ARG 92.632 1
ATOM 672 C CG . ARG 88 88 ? A -3.21033 -27.50949 6.77606 1 1 A ARG 92.632 1
ATOM 673 C CD . ARG 88 88 ? A -2.84771 -28.30540 5.53455 1 1 A ARG 92.632 1
ATOM 674 N NE . ARG 88 88 ? A -1.98538 -29.43112 5.85675 1 1 A ARG 92.632 1
ATOM 675 C CZ . ARG 88 88 ? A -1.19828 -30.06064 4.98863 1 1 A ARG 92.632 1
ATOM 676 N NH1 . ARG 88 88 ? A -1.16471 -29.67825 3.72548 1 1 A ARG 92.632 1
ATOM 677 N NH2 . ARG 88 88 ? A -0.44960 -31.07940 5.38792 1 1 A ARG 92.632 1
ATOM 678 N N . PHE 89 89 ? A -4.71915 -23.24146 6.51058 1 1 A PHE 93.117 1
ATOM 679 C CA . PHE 89 89 ? A -5.50109 -22.21844 5.84555 1 1 A PHE 93.117 1
ATOM 680 C C . PHE 89 89 ? A -6.11871 -22.80310 4.58244 1 1 A PHE 93.117 1
ATOM 681 O O . PHE 89 89 ? A -5.44711 -23.49073 3.81588 1 1 A PHE 93.117 1
ATOM 682 C CB . PHE 89 89 ? A -4.63977 -21.01274 5.46594 1 1 A PHE 93.117 1
ATOM 683 C CG . PHE 89 89 ? A -4.02481 -20.30129 6.63873 1 1 A PHE 93.117 1
ATOM 684 C CD1 . PHE 89 89 ? A -4.77049 -19.41521 7.39655 1 1 A PHE 93.117 1
ATOM 685 C CD2 . PHE 89 89 ? A -2.69563 -20.51040 6.97654 1 1 A PHE 93.117 1
ATOM 686 C CE1 . PHE 89 89 ? A -4.21021 -18.75095 8.47401 1 1 A PHE 93.117 1
ATOM 687 C CE2 . PHE 89 89 ? A -2.12693 -19.85149 8.05207 1 1 A PHE 93.117 1
ATOM 688 C CZ . PHE 89 89 ? A -2.88559 -18.97392 8.80165 1 1 A PHE 93.117 1
ATOM 689 N N . VAL 90 90 ? A -7.38556 -22.52173 4.38929 1 1 A VAL 92.273 1
ATOM 690 C CA . VAL 90 90 ? A -8.07264 -22.97142 3.19506 1 1 A VAL 92.273 1
ATOM 691 C C . VAL 90 90 ? A -8.02592 -21.86319 2.15925 1 1 A VAL 92.273 1
ATOM 692 O O . VAL 90 90 ? A -8.46673 -20.74044 2.41292 1 1 A VAL 92.273 1
ATOM 693 C CB . VAL 90 90 ? A -9.52966 -23.36656 3.48867 1 1 A VAL 92.273 1
ATOM 694 C CG1 . VAL 90 90 ? A -10.24626 -23.75002 2.19975 1 1 A VAL 92.273 1
ATOM 695 C CG2 . VAL 90 90 ? A -9.55657 -24.51622 4.48900 1 1 A VAL 92.273 1
ATOM 696 N N . VAL 91 91 ? A -7.47064 -22.17141 0.99062 1 1 A VAL 88.484 1
ATOM 697 C CA . VAL 91 91 ? A -7.37795 -21.23695 -0.11515 1 1 A VAL 88.484 1
ATOM 698 C C . VAL 91 91 ? A -7.74127 -21.97516 -1.39162 1 1 A VAL 88.484 1
ATOM 699 O O . VAL 91 91 ? A -7.71597 -23.20777 -1.42782 1 1 A VAL 88.484 1
ATOM 700 C CB . VAL 91 91 ? A -5.96990 -20.61921 -0.23846 1 1 A VAL 88.484 1
ATOM 701 C CG1 . VAL 91 91 ? A -5.61718 -19.83076 1.01274 1 1 A VAL 88.484 1
ATOM 702 C CG2 . VAL 91 91 ? A -4.93373 -21.70281 -0.51685 1 1 A VAL 88.484 1
ATOM 703 N N . PRO 92 92 ? A -8.08243 -21.24657 -2.43335 1 1 A PRO 82.725 1
ATOM 704 C CA . PRO 92 92 ? A -8.33322 -21.92972 -3.69754 1 1 A PRO 82.725 1
ATOM 705 C C . PRO 92 92 ? A -7.08433 -22.65662 -4.17895 1 1 A PRO 82.725 1
ATOM 706 O O . PRO 92 92 ? A -5.96408 -22.18979 -3.97544 1 1 A PRO 82.725 1
ATOM 707 C CB . PRO 92 92 ? A -8.70956 -20.79054 -4.65101 1 1 A PRO 82.725 1
ATOM 708 C CG . PRO 92 92 ? A -9.19391 -19.69698 -3.76967 1 1 A PRO 82.725 1
ATOM 709 C CD . PRO 92 92 ? A -8.36615 -19.80316 -2.51618 1 1 A PRO 82.725 1
ATOM 710 N N . GLN 93 93 ? A -7.28652 -23.80139 -4.80239 1 1 A GLN 78.899 1
ATOM 711 C CA . GLN 93 93 ? A -6.17503 -24.52218 -5.38117 1 1 A GLN 78.899 1
ATOM 712 C C . GLN 93 93 ? A -5.63767 -23.74266 -6.56773 1 1 A GLN 78.899 1
ATOM 713 O O . GLN 93 93 ? A -6.37819 -23.41475 -7.49157 1 1 A GLN 78.899 1
ATOM 714 C CB . GLN 93 93 ? A -6.59126 -25.92545 -5.80847 1 1 A GLN 78.899 1
ATOM 715 C CG . GLN 93 93 ? A -5.45389 -26.75161 -6.38331 1 1 A GLN 78.899 1
ATOM 716 C CD . GLN 93 93 ? A -5.82986 -28.20460 -6.57119 1 1 A GLN 78.899 1
ATOM 717 O OE1 . GLN 93 93 ? A -6.91699 -28.64117 -6.21102 1 1 A GLN 78.899 1
ATOM 718 N NE2 . GLN 93 93 ? A -4.91314 -28.98104 -7.13184 1 1 A GLN 78.899 1
ATOM 719 N N . ILE 94 94 ? A -4.34627 -23.42399 -6.52495 1 1 A ILE 75.691 1
ATOM 720 C CA . ILE 94 94 ? A -3.72944 -22.62547 -7.57018 1 1 A ILE 75.691 1
ATOM 721 C C . ILE 94 94 ? A -2.75875 -23.42863 -8.41728 1 1 A ILE 75.691 1
ATOM 722 O O . ILE 94 94 ? A -2.22655 -22.91076 -9.40185 1 1 A ILE 75.691 1
ATOM 723 C CB . ILE 94 94 ? A -3.00190 -21.40272 -6.97833 1 1 A ILE 75.691 1
ATOM 724 C CG1 . ILE 94 94 ? A -1.94987 -21.85669 -5.96688 1 1 A ILE 75.691 1
ATOM 725 C CG2 . ILE 94 94 ? A -4.01212 -20.45579 -6.33146 1 1 A ILE 75.691 1
ATOM 726 C CD1 . ILE 94 94 ? A -1.03620 -20.74031 -5.49230 1 1 A ILE 75.691 1
ATOM 727 N N . LEU 95 95 ? A -2.50611 -24.66706 -8.06336 1 1 A LEU 74.763 1
ATOM 728 C CA . LEU 95 95 ? A -1.60990 -25.52269 -8.81073 1 1 A LEU 74.763 1
ATOM 729 C C . LEU 95 95 ? A -2.41207 -26.50644 -9.64323 1 1 A LEU 74.763 1
ATOM 730 O O . LEU 95 95 ? A -3.46811 -26.98055 -9.22243 1 1 A LEU 74.763 1
ATOM 731 C CB . LEU 95 95 ? A -0.66480 -26.28032 -7.87774 1 1 A LEU 74.763 1
ATOM 732 C CG . LEU 95 95 ? A 0.25162 -25.42072 -7.00783 1 1 A LEU 74.763 1
ATOM 733 C CD1 . LEU 95 95 ? A 1.09436 -26.30352 -6.09801 1 1 A LEU 74.763 1
ATOM 734 C CD2 . LEU 95 95 ? A 1.13343 -24.53440 -7.87652 1 1 A LEU 74.763 1
ATOM 735 N N . GLY 96 96 ? A -1.90166 -26.78223 -10.81992 1 1 A GLY 72.419 1
ATOM 736 C CA . GLY 96 96 ? A -2.55081 -27.74651 -11.68367 1 1 A GLY 72.419 1
ATOM 737 C C . GLY 96 96 ? A -2.33856 -29.16602 -11.21047 1 1 A GLY 72.419 1
ATOM 738 O O . GLY 96 96 ? A -1.68048 -29.42493 -10.19988 1 1 A GLY 72.419 1
ATOM 739 N N . ASP 97 97 ? A -2.90678 -30.09091 -11.94842 1 1 A ASP 66.277 1
ATOM 740 C CA . ASP 97 97 ? A -2.78347 -31.49628 -11.62960 1 1 A ASP 66.277 1
ATOM 741 C C . ASP 97 97 ? A -1.34477 -31.96193 -11.80507 1 1 A ASP 66.277 1
ATOM 742 O O . ASP 97 97 ? A -0.60435 -31.45564 -12.64610 1 1 A ASP 66.277 1
ATOM 743 C CB . ASP 97 97 ? A -3.69945 -32.34104 -12.51396 1 1 A ASP 66.277 1
ATOM 744 C CG . ASP 97 97 ? A -5.16506 -32.03921 -12.27848 1 1 A ASP 66.277 1
ATOM 745 O OD1 . ASP 97 97 ? A -5.51572 -31.54107 -11.19572 1 1 A ASP 66.277 1
ATOM 746 O OD2 . ASP 97 97 ? A -5.97076 -32.30608 -13.19364 1 1 A ASP 66.277 1
ATOM 747 N N . ASN 98 98 ? A -0.96608 -32.92515 -10.99069 1 1 A ASN 63.426 1
ATOM 748 C CA . ASN 98 98 ? A 0.33326 -33.54873 -11.16165 1 1 A ASN 63.426 1
ATOM 749 C C . ASN 98 98 ? A 0.37483 -34.29584 -12.48312 1 1 A ASN 63.426 1
ATOM 750 O O . ASN 98 98 ? A -0.62096 -34.87211 -12.92169 1 1 A ASN 63.426 1
ATOM 751 C CB . ASN 98 98 ? A 0.64529 -34.50689 -10.01405 1 1 A ASN 63.426 1
ATOM 752 C CG . ASN 98 98 ? A 0.92166 -33.77406 -8.72206 1 1 A ASN 63.426 1
ATOM 753 O OD1 . ASN 98 98 ? A 0.95878 -32.55468 -8.65955 1 1 A ASN 63.426 1
ATOM 754 N ND2 . ASN 98 98 ? A 1.10970 -34.53274 -7.64618 1 1 A ASN 63.426 1
ATOM 755 N N . LYS 99 99 ? A 1.53779 -34.27719 -13.10382 1 1 A LYS 55.964 1
ATOM 756 C CA . LYS 99 99 ? A 1.71131 -34.90898 -14.40386 1 1 A LYS 55.964 1
ATOM 757 C C . LYS 99 99 ? A 2.45143 -36.22544 -14.28074 1 1 A LYS 55.964 1
ATOM 758 O O . LYS 99 99 ? A 3.06684 -36.50115 -13.24113 1 1 A LYS 55.964 1
ATOM 759 C CB . LYS 99 99 ? A 2.45999 -33.97230 -15.35881 1 1 A LYS 55.964 1
ATOM 760 C CG . LYS 99 99 ? A 1.69477 -32.68497 -15.64488 1 1 A LYS 55.964 1
ATOM 761 C CD . LYS 99 99 ? A 2.50358 -31.76957 -16.54802 1 1 A LYS 55.964 1
ATOM 762 C CE . LYS 99 99 ? A 1.76345 -30.46137 -16.79214 1 1 A LYS 55.964 1
ATOM 763 N NZ . LYS 99 99 ? A 2.55818 -29.52924 -17.62296 1 1 A LYS 55.964 1
#
#
loop_
_atom_type.symbol
C
N
O
S
#
#
loop_
_ma_qa_metric.id
_ma_qa_metric.name
_ma_qa_metric.description
_ma_qa_metric.type
_ma_qa_metric.mode
_ma_qa_metric.type_other_details
_ma_qa_metric.software_group_id
1 pLDDT 'Predicted lddt' pLDDT local . .
#
#
loop_
_ma_qa_metric_local.ordinal_id
_ma_qa_metric_local.model_id
_ma_qa_metric_local.label_asym_id
_ma_qa_metric_local.label_seq_id
_ma_qa_metric_local.label_comp_id
_ma_qa_metric_local.metric_id
_ma_qa_metric_local.metric_value
1 1 A 1 VAL 1 53.650
2 1 A 2 SER 1 63.523
3 1 A 3 PRO 1 71.918
4 1 A 4 ILE 1 84.281
5 1 A 5 SER 1 87.442
6 1 A 6 ARG 1 86.547
7 1 A 7 ASP 1 90.912
8 1 A 8 GLU 1 88.715
9 1 A 9 VAL 1 91.983
10 1 A 10 LEU 1 92.818
11 1 A 11 HIS 1 93.335
12 1 A 12 LEU 1 90.468
13 1 A 13 ALA 1 93.336
14 1 A 14 ARG 1 92.594
15 1 A 15 LEU 1 92.785
16 1 A 16 THR 1 89.407
17 1 A 17 ARG 1 89.999
18 1 A 18 LEU 1 89.950
19 1 A 19 VAL 1 91.663
20 1 A 20 LEU 1 91.636
21 1 A 21 THR 1 93.774
22 1 A 22 ASP 1 88.640
23 1 A 23 THR 1 91.519
24 1 A 24 GLU 1 91.534
25 1 A 25 LEU 1 90.139
26 1 A 26 ALA 1 86.422
27 1 A 27 SER 1 91.611
28 1 A 28 PHE 1 90.540
29 1 A 29 SER 1 88.351
30 1 A 30 SER 1 88.271
31 1 A 31 GLN 1 89.605
32 1 A 32 LEU 1 89.920
33 1 A 33 ASP 1 86.885
34 1 A 34 VAL 1 88.450
35 1 A 35 ILE 1 87.127
36 1 A 36 LEU 1 84.585
37 1 A 37 ALA 1 84.947
38 1 A 38 HIS 1 85.987
39 1 A 39 VAL 1 83.176
40 1 A 40 SER 1 82.118
41 1 A 41 GLN 1 83.635
42 1 A 42 ILE 1 79.030
43 1 A 43 GLN 1 78.948
44 1 A 44 ALA 1 78.487
45 1 A 45 VAL 1 81.117
46 1 A 46 ASP 1 81.020
47 1 A 47 VAL 1 80.172
48 1 A 48 THR 1 85.590
49 1 A 49 GLY 1 86.670
50 1 A 50 VAL 1 83.345
51 1 A 51 GLU 1 82.324
52 1 A 52 PRO 1 79.608
53 1 A 53 THR 1 77.101
54 1 A 54 ASP 1 70.763
55 1 A 55 ASN 1 69.346
56 1 A 56 PRO 1 73.109
57 1 A 57 LEU 1 70.234
58 1 A 58 LYS 1 69.653
59 1 A 59 TYR 1 72.936
60 1 A 60 VAL 1 69.663
61 1 A 61 ASN 1 78.950
62 1 A 62 ILE 1 79.896
63 1 A 63 THR 1 89.770
64 1 A 64 ARG 1 88.041
65 1 A 65 PRO 1 93.870
66 1 A 66 ASP 1 93.680
67 1 A 67 GLU 1 94.210
68 1 A 68 THR 1 91.664
69 1 A 69 VAL 1 89.523
70 1 A 70 PRO 1 90.859
71 1 A 71 CYS 1 89.229
72 1 A 72 LEU 1 92.950
73 1 A 73 THR 1 93.552
74 1 A 74 GLN 1 92.099
75 1 A 75 GLN 1 93.034
76 1 A 76 GLN 1 95.232
77 1 A 77 ALA 1 94.521
78 1 A 78 LEU 1 95.042
79 1 A 79 ALA 1 94.704
80 1 A 80 GLU 1 89.991
81 1 A 81 ALA 1 92.613
82 1 A 82 PRO 1 90.644
83 1 A 83 GLU 1 91.967
84 1 A 84 ALA 1 93.405
85 1 A 85 ILE 1 91.608
86 1 A 86 TYR 1 91.782
87 1 A 87 GLY 1 92.819
88 1 A 88 ARG 1 92.632
89 1 A 89 PHE 1 93.117
90 1 A 90 VAL 1 92.273
91 1 A 91 VAL 1 88.484
92 1 A 92 PRO 1 82.725
93 1 A 93 GLN 1 78.899
94 1 A 94 ILE 1 75.691
95 1 A 95 LEU 1 74.763
96 1 A 96 GLY 1 72.419
97 1 A 97 ASP 1 66.277
98 1 A 98 ASN 1 63.426
99 1 A 99 LYS 1 55.964
#
