data_MULTIFOLD-grumpy-notebook-PTX_sample_0_predicted_by_protenix
#
_entry.id   MULTIFOLD-grumpy-notebook-PTX
#
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-PEPTIDE LINKING' y ALANINE         ? 'C3 H7 N O2'    89.093
ARG 'L-PEPTIDE LINKING' y ARGININE        ? 'C6 H15 N4 O2'  175.209
ASN 'L-PEPTIDE LINKING' y ASPARAGINE      ? 'C4 H8 N2 O3'   132.118
ASP 'L-PEPTIDE LINKING' y 'ASPARTIC ACID' ? 'C4 H7 N O4'    133.103
CYS 'L-PEPTIDE LINKING' y CYSTEINE        ? 'C3 H7 N O2 S'  121.158
GLN 'L-PEPTIDE LINKING' y GLUTAMINE       ? 'C5 H10 N2 O3'  146.144
GLU 'L-PEPTIDE LINKING' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'    147.129
GLY 'PEPTIDE LINKING'   y GLYCINE         ? 'C2 H5 N O2'    75.067
HIS 'L-PEPTIDE LINKING' y HISTIDINE       ? 'C6 H10 N3 O2'  156.162
LEU 'L-PEPTIDE LINKING' y LEUCINE         ? 'C6 H13 N O2'   131.173
LYS 'L-PEPTIDE LINKING' y LYSINE          ? 'C6 H15 N2 O2'  147.195
MET 'L-PEPTIDE LINKING' y METHIONINE      ? 'C5 H11 N O2 S' 149.211
PHE 'L-PEPTIDE LINKING' y PHENYLALANINE   ? 'C9 H11 N O2'   165.189
PRO 'L-PEPTIDE LINKING' y PROLINE         ? 'C5 H9 N O2'    115.130
THR 'L-PEPTIDE LINKING' y THREONINE       ? 'C4 H9 N O3'    119.119
TRP 'L-PEPTIDE LINKING' y TRYPTOPHAN      ? 'C11 H12 N2 O2' 204.225
TYR 'L-PEPTIDE LINKING' y TYROSINE        ? 'C9 H11 N O3'   181.189
VAL 'L-PEPTIDE LINKING' y VALINE          ? 'C5 H11 N O2'   117.146
#
_entity.id                 1
_entity.pdbx_description   .
_entity.type               polymer
#
_entity_poly.entity_id        1
_entity_poly.pdbx_strand_id   A
_entity_poly.type             polypeptide(L)
#
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.hetero 
_entity_poly_seq.mon_id 
_entity_poly_seq.num 
1 n MET 1
1 n ALA 2
1 n LEU 3
1 n TRP 4
1 n MET 5
1 n ARG 6
1 n LEU 7
1 n LEU 8
1 n PRO 9
1 n LEU 10
1 n LEU 11
1 n ALA 12
1 n LEU 13
1 n LEU 14
1 n ALA 15
1 n LEU 16
1 n TRP 17
1 n GLY 18
1 n PRO 19
1 n ASP 20
1 n PRO 21
1 n ALA 22
1 n ALA 23
1 n ALA 24
1 n PHE 25
1 n VAL 26
1 n ASN 27
1 n GLN 28
1 n HIS 29
1 n LEU 30
1 n VAL 31
1 n CYS 32
1 n GLY 33
1 n GLU 34
1 n ARG 35
1 n GLY 36
1 n PHE 37
1 n PHE 38
1 n TYR 39
1 n THR 40
1 n PRO 41
1 n LYS 42
1 n THR 43
1 n ARG 44
1 n ARG 45
1 n GLU 46
1 n ALA 47
1 n GLU 48
1 n ASP 49
1 n LEU 50
1 n GLN 51
1 n VAL 52
1 n GLY 53
1 n GLN 54
1 n VAL 55
1 n GLU 56
1 n LEU 57
1 n GLY 58
1 n GLY 59
#
loop_
_atom_site.group_PDB 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.B_iso_or_equiv 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.pdbx_PDB_model_num 
_atom_site.id 
_atom_site.occupancy 
ATOM N N   . MET A 1 1  . 1  MET A N   70.27 10.259784   1.8135564     13.790195     1 1   1.0
ATOM C CA  . MET A 1 1  . 1  MET A CA  70.93 9.3263855   1.505437      12.6912155    1 2   1.0
ATOM C C   . MET A 1 1  . 1  MET A C   73.02 7.924531    1.2877629     13.251026     1 3   1.0
ATOM O O   . MET A 1 1  . 1  MET A O   71.02 7.736225    0.5779637     14.241512     1 4   1.0
ATOM C CB  . MET A 1 1  . 1  MET A CB  70.32 9.78532     0.2535208     11.943033     1 5   1.0
ATOM C CG  . MET A 1 1  . 1  MET A CG  67.33 8.912834    -0.094504595  10.73574      1 6   1.0
ATOM S SD  . MET A 1 1  . 1  MET A SD  63.99 9.656484    -1.3724198    9.690895      1 7   1.0
ATOM C CE  . MET A 1 1  . 1  MET A CE  61.54 9.552584    -2.796221     10.7976465    1 8   1.0
ATOM N N   . ALA A 1 2  . 2  ALA A N   71.03 6.9510226   1.9094837     12.649141     1 9   1.0
ATOM C CA  . ALA A 1 2  . 2  ALA A CA  71.2  5.5658503   1.803628      13.101312     1 10  1.0
ATOM C C   . ALA A 1 2  . 2  ALA A C   74.42 5.0646167   0.36434484    12.960516     1 11  1.0
ATOM O O   . ALA A 1 2  . 2  ALA A O   72.04 5.5261636   -0.39671236   12.104198     1 12  1.0
ATOM C CB  . ALA A 1 2  . 2  ALA A CB  68.91 4.673441    2.7630491     12.307564     1 13  1.0
ATOM N N   . LEU A 1 3  . 3  LEU A N   72.49 4.107965    0.022335865   13.780237     1 14  1.0
ATOM C CA  . LEU A 1 3  . 3  LEU A CA  72.22 3.5733647   -1.3351629    13.789209     1 15  1.0
ATOM C C   . LEU A 1 3  . 3  LEU A C   73.99 3.0446625   -1.770257     12.4236555    1 16  1.0
ATOM O O   . LEU A 1 3  . 3  LEU A O   71.66 3.3412127   -2.8740919    11.950589     1 17  1.0
ATOM C CB  . LEU A 1 3  . 3  LEU A CB  71.01 2.462491    -1.4502842    14.840729     1 18  1.0
ATOM C CG  . LEU A 1 3  . 3  LEU A CG  67.04 1.7065564   -2.7861743    14.889911     1 19  1.0
ATOM C CD1 . LEU A 1 3  . 3  LEU A CD1 61.71 0.57054067  -2.7039113    15.908156     1 20  1.0
ATOM C CD2 . LEU A 1 3  . 3  LEU A CD2 61.41 2.6571076   -3.9259953    15.215055     1 21  1.0
ATOM N N   . TRP A 1 4  . 4  TRP A N   75.4  2.2635992   -0.9299032    11.793751     1 22  1.0
ATOM C CA  . TRP A 1 4  . 4  TRP A CA  74.74 1.6533142   -1.3350825    10.530159     1 23  1.0
ATOM C C   . TRP A 1 4  . 4  TRP A C   75.59 2.6776757   -1.6113923    9.429781      1 24  1.0
ATOM O O   . TRP A 1 4  . 4  TRP A O   74.43 2.4609616   -2.4372072    8.546674      1 25  1.0
ATOM C CB  . TRP A 1 4  . 4  TRP A CB  73.23 0.62428546  -0.29653382   10.069096     1 26  1.0
ATOM C CG  . TRP A 1 4  . 4  TRP A CG  71.52 1.1938345   1.0210967     9.633562      1 27  1.0
ATOM C CD1 . TRP A 1 4  . 4  TRP A CD1 66.97 1.3850131   2.1385376     10.396643     1 28  1.0
ATOM C CD2 . TRP A 1 4  . 4  TRP A CD2 67.05 1.6239964   1.3558689     8.307821      1 29  1.0
ATOM N NE1 . TRP A 1 4  . 4  TRP A NE1 64.19 1.9110247   3.1458158     9.628341      1 30  1.0
ATOM C CE2 . TRP A 1 4  . 4  TRP A CE2 62.53 2.0661545   2.6969333     8.343409      1 31  1.0
ATOM C CE3 . TRP A 1 4  . 4  TRP A CE3 62.64 1.6695551   0.65907806    7.095548      1 32  1.0
ATOM C CZ2 . TRP A 1 4  . 4  TRP A CZ2 62.69 2.5601315   3.3561304     7.201035      1 33  1.0
ATOM C CZ3 . TRP A 1 4  . 4  TRP A CZ3 61.88 2.1617002   1.3088523     5.973362      1 34  1.0
ATOM C CH2 . TRP A 1 4  . 4  TRP A CH2 62.75 2.5926738   2.6390567     6.0364375     1 35  1.0
ATOM N N   . MET A 1 5  . 5  MET A N   74.29 3.8365235   -0.93213415   9.483339      1 36  1.0
ATOM C CA  . MET A 1 5  . 5  MET A CA  74.05 4.881465    -1.1927364    8.499672      1 37  1.0
ATOM C C   . MET A 1 5  . 5  MET A C   75.84 5.4893227   -2.582839     8.686216      1 38  1.0
ATOM O O   . MET A 1 5  . 5  MET A O   74.16 5.9069166   -3.2261467    7.71132       1 39  1.0
ATOM C CB  . MET A 1 5  . 5  MET A CB  72.91 5.9581976   -0.11875419   8.581728      1 40  1.0
ATOM C CG  . MET A 1 5  . 5  MET A CG  68.5  5.4911103   1.2477431     8.093832      1 41  1.0
ATOM S SD  . MET A 1 5  . 5  MET A SD  65.68 6.833062    2.4661078     7.946368      1 42  1.0
ATOM C CE  . MET A 1 5  . 5  MET A CE  61.46 7.0246887   2.942649      9.670479      1 43  1.0
ATOM N N   . ARG A 1 6  . 6  ARG A N   76.61 5.543487    -3.050667     9.912609      1 44  1.0
ATOM C CA  . ARG A 1 6  . 6  ARG A CA  76.19 6.053375    -4.3796616    10.214268     1 45  1.0
ATOM C C   . ARG A 1 6  . 6  ARG A C   77.36 5.1148043   -5.4763927    9.698196      1 46  1.0
ATOM O O   . ARG A 1 6  . 6  ARG A O   75.15 5.519392    -6.6279707    9.525188      1 47  1.0
ATOM C CB  . ARG A 1 6  . 6  ARG A CB  75.88 6.2479076   -4.517089     11.73172      1 48  1.0
ATOM C CG  . ARG A 1 6  . 6  ARG A CG  74.05 7.202075    -5.6117086    12.14813      1 49  1.0
ATOM C CD  . ARG A 1 6  . 6  ARG A CD  70.6  7.534842    -5.5062566    13.642582     1 50  1.0
ATOM N NE  . ARG A 1 6  . 6  ARG A NE  64.27 8.486588    -4.431579     13.916301     1 51  1.0
ATOM C CZ  . ARG A 1 6  . 6  ARG A CZ  59.15 8.1908455   -3.3222396    14.615277     1 52  1.0
ATOM N NH1 . ARG A 1 6  . 6  ARG A NH1 57.85 6.97721     -3.1446786    15.130429     1 53  1.0
ATOM N NH2 . ARG A 1 6  . 6  ARG A NH2 57.62 9.127911    -2.4108002    14.806945     1 54  1.0
ATOM N N   . LEU A 1 7  . 7  LEU A N   78.77 3.8874078   -5.1314507    9.443057      1 55  1.0
ATOM C CA  . LEU A 1 7  . 7  LEU A CA  77.71 2.8856387   -6.078814     8.986066      1 56  1.0
ATOM C C   . LEU A 1 7  . 7  LEU A C   78.46 2.6708622   -6.047962     7.470131      1 57  1.0
ATOM O O   . LEU A 1 7  . 7  LEU A O   76.52 1.6866972   -6.616373     6.9769354     1 58  1.0
ATOM C CB  . LEU A 1 7  . 7  LEU A CB  76.1  1.5451492   -5.7963486    9.684582      1 59  1.0
ATOM C CG  . LEU A 1 7  . 7  LEU A CG  72.57 1.5536692   -5.861886     11.211672     1 60  1.0
ATOM C CD1 . LEU A 1 7  . 7  LEU A CD1 67.15 0.17902699  -5.495597     11.752699     1 61  1.0
ATOM C CD2 . LEU A 1 7  . 7  LEU A CD2 66.25 1.9809728   -7.243964     11.68311      1 62  1.0
ATOM N N   . LEU A 1 8  . 8  LEU A N   77.42 3.5331812   -5.3970904    6.739787      1 63  1.0
ATOM C CA  . LEU A 1 8  . 8  LEU A CA  76.54 3.3247743   -5.2262983    5.303498      1 64  1.0
ATOM C C   . LEU A 1 8  . 8  LEU A C   77.92 3.0652165   -6.5238376    4.531929      1 65  1.0
ATOM O O   . LEU A 1 8  . 8  LEU A O   76.07 2.1855803   -6.5524817    3.6620207     1 66  1.0
ATOM C CB  . LEU A 1 8  . 8  LEU A CB  74.66 4.5045347   -4.4720564    4.6805754     1 67  1.0
ATOM C CG  . LEU A 1 8  . 8  LEU A CG  70.56 4.672217    -3.0077343    5.123804      1 68  1.0
ATOM C CD1 . LEU A 1 8  . 8  LEU A CD1 65.18 5.813508    -2.347087     4.361098      1 69  1.0
ATOM C CD2 . LEU A 1 8  . 8  LEU A CD2 64.45 3.371762    -2.24161      4.9235425     1 70  1.0
ATOM N N   . PRO A 1 9  . 9  PRO A N   77.06 3.785242    -7.61776      4.7960873     1 71  1.0
ATOM C CA  . PRO A 1 9  . 9  PRO A CA  76.2  3.4954982   -8.858366     4.049141      1 72  1.0
ATOM C C   . PRO A 1 9  . 9  PRO A C   77.66 2.0512152   -9.333576     4.238057      1 73  1.0
ATOM O O   . PRO A 1 9  . 9  PRO A O   76.38 1.403366    -9.744508     3.2676148     1 74  1.0
ATOM C CB  . PRO A 1 9  . 9  PRO A CB  74.26 4.494773    -9.866692     4.631379      1 75  1.0
ATOM C CG  . PRO A 1 9  . 9  PRO A CG  71.13 5.640965    -9.027106     5.090579      1 76  1.0
ATOM C CD  . PRO A 1 9  . 9  PRO A CD  72.97 4.984668    -7.780509     5.6515903     1 77  1.0
ATOM N N   . LEU A 1 10 . 10 LEU A N   77.17 1.5579963   -9.265288     5.4549685     1 78  1.0
ATOM C CA  . LEU A 1 10 . 10 LEU A CA  76.12 0.17727491  -9.671505     5.70152       1 79  1.0
ATOM C C   . LEU A 1 10 . 10 LEU A C   77.21 -0.8119496  -8.707342     5.0554132     1 80  1.0
ATOM O O   . LEU A 1 10 . 10 LEU A O   75.3  -1.8533934  -9.1253195    4.531585      1 81  1.0
ATOM C CB  . LEU A 1 10 . 10 LEU A CB  74.42 -0.09082796 -9.763896     7.207927      1 82  1.0
ATOM C CG  . LEU A 1 10 . 10 LEU A CG  70.55 0.5911387   -10.922033    7.938854      1 83  1.0
ATOM C CD1 . LEU A 1 10 . 10 LEU A CD1 64.74 0.24471761  -10.876525    9.419373      1 84  1.0
ATOM C CD2 . LEU A 1 10 . 10 LEU A CD2 63.73 0.18306613  -12.25398     7.3361163     1 85  1.0
ATOM N N   . LEU A 1 11 . 11 LEU A N   78.34 -0.4921284  -7.4416738    5.0878267     1 86  1.0
ATOM C CA  . LEU A 1 11 . 11 LEU A CA  76.88 -1.369565   -6.464551     4.4591784     1 87  1.0
ATOM C C   . LEU A 1 11 . 11 LEU A C   77.62 -1.4672648  -6.692066     2.9539962     1 88  1.0
ATOM O O   . LEU A 1 11 . 11 LEU A O   75.36 -2.5319383  -6.5157876    2.350689      1 89  1.0
ATOM C CB  . LEU A 1 11 . 11 LEU A CB  75.13 -0.87395537 -5.046096     4.7469893     1 90  1.0
ATOM C CG  . LEU A 1 11 . 11 LEU A CG  71.38 -0.99127346 -4.5830564    6.2075357     1 91  1.0
ATOM C CD1 . LEU A 1 11 . 11 LEU A CD1 66.16 -0.28739887 -3.24382      6.3961067     1 92  1.0
ATOM C CD2 . LEU A 1 11 . 11 LEU A CD2 64.98 -2.453742   -4.4913054    6.61195       1 93  1.0
ATOM N N   . ALA A 1 12 . 12 ALA A N   76.31 -0.37082717 -7.0937524    2.332614      1 94  1.0
ATOM C CA  . ALA A 1 12 . 12 ALA A CA  75.15 -0.38803232 -7.390561     0.9046632     1 95  1.0
ATOM C C   . ALA A 1 12 . 12 ALA A C   76.9  -1.3250095  -8.56361      0.60958815    1 96  1.0
ATOM O O   . ALA A 1 12 . 12 ALA A O   74.33 -2.074855   -8.539237     -0.37408608   1 97  1.0
ATOM C CB  . ALA A 1 12 . 12 ALA A CB  72.98 1.0236688   -7.6938367    0.4038956     1 98  1.0
ATOM N N   . LEU A 1 13 . 13 LEU A N   76.39 -1.3038409  -9.593864     1.4496944     1 99  1.0
ATOM C CA  . LEU A 1 13 . 13 LEU A CA  75.57 -2.2025638  -10.725132    1.2653732     1 100 1.0
ATOM C C   . LEU A 1 13 . 13 LEU A C   76.76 -3.6545837  -10.32308     1.493379      1 101 1.0
ATOM O O   . LEU A 1 13 . 13 LEU A O   75.02 -4.5549107  -10.767687    0.7709166     1 102 1.0
ATOM C CB  . LEU A 1 13 . 13 LEU A CB  73.87 -1.8268831  -11.864488    2.22177       1 103 1.0
ATOM C CG  . LEU A 1 13 . 13 LEU A CG  70.44 -0.4890005  -12.560869    1.9434125     1 104 1.0
ATOM C CD1 . LEU A 1 13 . 13 LEU A CD1 64.94 -0.20281477 -13.5979395   3.0202718     1 105 1.0
ATOM C CD2 . LEU A 1 13 . 13 LEU A CD2 63.99 -0.51029176 -13.213502    0.5663675     1 106 1.0
ATOM N N   . LEU A 1 14 . 14 LEU A N   77.35 -3.872314   -9.484377     2.472395      1 107 1.0
ATOM C CA  . LEU A 1 14 . 14 LEU A CA  75.86 -5.2258015  -9.031904     2.7600589     1 108 1.0
ATOM C C   . LEU A 1 14 . 14 LEU A C   76.29 -5.8020005  -8.208771     1.6180117     1 109 1.0
ATOM O O   . LEU A 1 14 . 14 LEU A O   74.18 -7.0280943  -8.152057     1.4456534     1 110 1.0
ATOM C CB  . LEU A 1 14 . 14 LEU A CB  74.48 -5.246752   -8.220738     4.060105      1 111 1.0
ATOM C CG  . LEU A 1 14 . 14 LEU A CG  71.38 -5.0211267  -9.024326     5.3466234     1 112 1.0
ATOM C CD1 . LEU A 1 14 . 14 LEU A CD1 66.27 -4.8727427  -8.083306     6.536928      1 113 1.0
ATOM C CD2 . LEU A 1 14 . 14 LEU A CD2 65.4  -6.1623974  -10.001022    5.5705676     1 114 1.0
ATOM N N   . ALA A 1 15 . 15 ALA A N   73.8  -4.938032   -7.57546      0.84987736    1 115 1.0
ATOM C CA  . ALA A 1 15 . 15 ALA A CA  72.3  -5.4038286  -6.8320594    -0.30492443   1 116 1.0
ATOM C C   . ALA A 1 15 . 15 ALA A C   74.06 -6.103486   -7.7506       -1.3021383    1 117 1.0
ATOM O O   . ALA A 1 15 . 15 ALA A O   71.15 -6.972747   -7.3135962    -2.0581179    1 118 1.0
ATOM C CB  . ALA A 1 15 . 15 ALA A CB  70.03 -4.2425303  -6.0979424    -0.97744983   1 119 1.0
ATOM N N   . LEU A 1 16 . 16 LEU A N   71.66 -5.7326374  -9.028452     -1.3042977    1 120 1.0
ATOM C CA  . LEU A 1 16 . 16 LEU A CA  70.94 -6.343486   -9.994938     -2.2053442    1 121 1.0
ATOM C C   . LEU A 1 16 . 16 LEU A C   72.39 -7.531047   -10.721811    -1.5751582    1 122 1.0
ATOM O O   . LEU A 1 16 . 16 LEU A O   70.58 -8.547688   -10.958742    -2.2408016    1 123 1.0
ATOM C CB  . LEU A 1 16 . 16 LEU A CB  69.13 -5.304989   -11.033384    -2.651999     1 124 1.0
ATOM C CG  . LEU A 1 16 . 16 LEU A CG  65.92 -4.1034436  -10.506765    -3.4414058    1 125 1.0
ATOM C CD1 . LEU A 1 16 . 16 LEU A CD1 61.43 -3.1335554  -11.643988    -3.7228384    1 126 1.0
ATOM C CD2 . LEU A 1 16 . 16 LEU A CD2 60.73 -4.575588   -9.8708515    -4.7430973    1 127 1.0
ATOM N N   . TRP A 1 17 . 17 TRP A N   73.59 -7.4098415  -11.087992    -0.317658     1 128 1.0
ATOM C CA  . TRP A 1 17 . 17 TRP A CA  72.88 -8.418385   -11.942091    0.32282457    1 129 1.0
ATOM C C   . TRP A 1 17 . 17 TRP A C   73.46 -9.106661   -11.318329    1.5259829     1 130 1.0
ATOM O O   . TRP A 1 17 . 17 TRP A O   71.75 -10.090167  -11.882608    2.0204356     1 131 1.0
ATOM C CB  . TRP A 1 17 . 17 TRP A CB  71.5  -7.769376   -13.250934    0.7774986     1 132 1.0
ATOM C CG  . TRP A 1 17 . 17 TRP A CG  70.09 -7.1855593  -14.036047    -0.34802344   1 133 1.0
ATOM C CD1 . TRP A 1 17 . 17 TRP A CD1 65.4  -7.8278766  -14.486076    -1.4491429    1 134 1.0
ATOM C CD2 . TRP A 1 17 . 17 TRP A CD2 65.29 -5.8231554  -14.449795    -0.47058627   1 135 1.0
ATOM N NE1 . TRP A 1 17 . 17 TRP A NE1 61.89 -6.952712   -15.167038    -2.261612     1 136 1.0
ATOM C CE2 . TRP A 1 17 . 17 TRP A CE2 61.21 -5.7123346  -15.161318    -1.6862721    1 137 1.0
ATOM C CE3 . TRP A 1 17 . 17 TRP A CE3 60.8  -4.6876     -14.295886    0.32827163    1 138 1.0
ATOM C CZ2 . TRP A 1 17 . 17 TRP A CZ2 61.0  -4.507042   -15.724144    -2.1192164    1 139 1.0
ATOM C CZ3 . TRP A 1 17 . 17 TRP A CZ3 60.24 -3.497675   -14.857216    -0.10646338   1 140 1.0
ATOM C CH2 . TRP A 1 17 . 17 TRP A CH2 60.95 -3.414802   -15.554636    -1.3110267    1 141 1.0
ATOM N N   . GLY A 1 18 . 18 GLY A N   73.01 -8.640034   -10.196065    2.0040817     1 142 1.0
ATOM C CA  . GLY A 1 18 . 18 GLY A CA  72.28 -9.181227   -9.611714     3.2104597     1 143 1.0
ATOM C C   . GLY A 1 18 . 18 GLY A C   73.75 -10.393035  -8.738505     2.964294      1 144 1.0
ATOM O O   . GLY A 1 18 . 18 GLY A O   71.98 -10.850798  -8.56489      1.8268473     1 145 1.0
ATOM N N   . PRO A 1 19 . 19 PRO A N   74.51 -10.920803  -8.19667      4.0411677     1 146 1.0
ATOM C CA  . PRO A 1 19 . 19 PRO A CA  74.24 -12.062262  -7.29615      3.9042263     1 147 1.0
ATOM C C   . PRO A 1 19 . 19 PRO A C   75.65 -11.675861  -5.9975433    3.1983154     1 148 1.0
ATOM O O   . PRO A 1 19 . 19 PRO A O   74.53 -10.498854  -5.6476493    3.1152577     1 149 1.0
ATOM C CB  . PRO A 1 19 . 19 PRO A CB  72.88 -12.477783  -7.033292     5.3649764     1 150 1.0
ATOM C CG  . PRO A 1 19 . 19 PRO A CG  71.25 -11.250489  -7.3059688    6.1625624     1 151 1.0
ATOM C CD  . PRO A 1 19 . 19 PRO A CD  73.97 -10.538385  -8.413389     5.435259      1 152 1.0
ATOM N N   . ASP A 1 20 . 20 ASP A N   74.76 -12.647669  -5.3024516    2.7119536     1 153 1.0
ATOM C CA  . ASP A 1 20 . 20 ASP A CA  74.23 -12.412514  -4.1033072    1.9195805     1 154 1.0
ATOM C C   . ASP A 1 20 . 20 ASP A C   75.92 -11.547939  -3.0530543    2.607832      1 155 1.0
ATOM O O   . ASP A 1 20 . 20 ASP A O   74.37 -10.693074  -2.4420574    1.9656465     1 156 1.0
ATOM C CB  . ASP A 1 20 . 20 ASP A CB  72.11 -13.745701  -3.492156     1.4740398     1 157 1.0
ATOM C CG  . ASP A 1 20 . 20 ASP A CG  69.14 -14.458119  -4.3534403    0.44331622    1 158 1.0
ATOM O OD1 . ASP A 1 20 . 20 ASP A OD1 63.15 -15.665625  -4.1090345    0.19871052    1 159 1.0
ATOM O OD2 . ASP A 1 20 . 20 ASP A OD2 63.88 -13.813866  -5.248371     -0.141987     1 160 1.0
ATOM N N   . PRO A 1 21 . 21 PRO A N   78.4  -11.731292  -2.7904391    3.8990693     1 161 1.0
ATOM C CA  . PRO A 1 21 . 21 PRO A CA  77.74 -10.88465   -1.7721255    4.545842      1 162 1.0
ATOM C C   . PRO A 1 21 . 21 PRO A C   78.55 -9.399021   -2.1205363    4.4922276     1 163 1.0
ATOM O O   . PRO A 1 21 . 21 PRO A O   77.31 -8.560059   -1.2318474    4.328118      1 164 1.0
ATOM C CB  . PRO A 1 21 . 21 PRO A CB  76.6  -11.411501  -1.739147     5.9883776     1 165 1.0
ATOM C CG  . PRO A 1 21 . 21 PRO A CG  75.55 -12.853604  -2.1426597    5.857993      1 166 1.0
ATOM C CD  . PRO A 1 21 . 21 PRO A CD  77.79 -12.830515  -3.2159772    4.7829714     1 167 1.0
ATOM N N   . ALA A 1 22 . 22 ALA A N   76.87 -9.064419   -3.3852935    4.6293373     1 168 1.0
ATOM C CA  . ALA A 1 22 . 22 ALA A CA  76.15 -7.667339   -3.7967713    4.5525203     1 169 1.0
ATOM C C   . ALA A 1 22 . 22 ALA A C   77.35 -7.115264   -3.6038127    3.146575      1 170 1.0
ATOM O O   . ALA A 1 22 . 22 ALA A O   75.74 -5.98746    -3.1243038    2.9630196     1 171 1.0
ATOM C CB  . ALA A 1 22 . 22 ALA A CB  74.61 -7.517592   -5.2575665    4.982562      1 172 1.0
ATOM N N   . ALA A 1 23 . 23 ALA A N   76.16 -7.884659   -3.971076     2.160476      1 173 1.0
ATOM C CA  . ALA A 1 23 . 23 ALA A CA  75.34 -7.4665737  -3.7879026    0.77853066    1 174 1.0
ATOM C C   . ALA A 1 23 . 23 ALA A C   76.88 -7.2822886  -2.3103967    0.46491265    1 175 1.0
ATOM O O   . ALA A 1 23 . 23 ALA A O   75.12 -6.3331146  -1.9208175    -0.22290184   1 176 1.0
ATOM C CB  . ALA A 1 23 . 23 ALA A CB  73.8  -8.482294   -4.419316     -0.1734618    1 177 1.0
ATOM N N   . ALA A 1 24 . 24 ALA A N   77.98 -8.173235   -1.4929914    0.96023005    1 178 1.0
ATOM C CA  . ALA A 1 24 . 24 ALA A CA  77.04 -8.086477   -0.055454105  0.7407701     1 179 1.0
ATOM C C   . ALA A 1 24 . 24 ALA A C   78.66 -6.8240423  0.51300323    1.3688098     1 180 1.0
ATOM O O   . ALA A 1 24 . 24 ALA A O   76.87 -6.163971   1.3814743     0.7887006     1 181 1.0
ATOM C CB  . ALA A 1 24 . 24 ALA A CB  75.25 -9.327742   0.64143026    1.2953446     1 182 1.0
ATOM N N   . PHE A 1 25 . 25 PHE A N   79.9  -6.473239   0.036048472   2.5478992     1 183 1.0
ATOM C CA  . PHE A 1 25 . 25 PHE A CA  79.29 -5.267519   0.5133424     3.219515      1 184 1.0
ATOM C C   . PHE A 1 25 . 25 PHE A C   80.17 -4.019133   0.2296615     2.3932433     1 185 1.0
ATOM O O   . PHE A 1 25 . 25 PHE A O   79.4  -3.1574407  1.1005397     2.2211401     1 186 1.0
ATOM C CB  . PHE A 1 25 . 25 PHE A CB  77.99 -5.142353   -0.13642758   4.603038      1 187 1.0
ATOM C CG  . PHE A 1 25 . 25 PHE A CG  77.2  -3.926237   0.33086425    5.359997      1 188 1.0
ATOM C CD1 . PHE A 1 25 . 25 PHE A CD1 71.32 -3.9851253  1.4565173     6.165271      1 189 1.0
ATOM C CD2 . PHE A 1 25 . 25 PHE A CD2 71.91 -2.7176142  -0.35295892   5.2599716     1 190 1.0
ATOM C CE1 . PHE A 1 25 . 25 PHE A CE1 69.77 -2.867539   1.894125      6.8602886     1 191 1.0
ATOM C CE2 . PHE A 1 25 . 25 PHE A CE2 69.07 -1.6001413  0.08164194    5.9494505     1 192 1.0
ATOM C CZ  . PHE A 1 25 . 25 PHE A CZ  69.85 -1.6755595  1.2012205     6.7520943     1 193 1.0
ATOM N N   . VAL A 1 26 . 26 VAL A N   79.85 -3.9111419  -0.97382593   1.8760741     1 194 1.0
ATOM C CA  . VAL A 1 26 . 26 VAL A CA  78.56 -2.76159    -1.3455566    1.0683467     1 195 1.0
ATOM C C   . VAL A 1 26 . 26 VAL A C   79.11 -2.6703806  -0.4623655    -0.1709084    1 196 1.0
ATOM O O   . VAL A 1 26 . 26 VAL A O   77.83 -1.607802   0.07462288    -0.49699575   1 197 1.0
ATOM C CB  . VAL A 1 26 . 26 VAL A CB  77.72 -2.8232598  -2.8378508    0.6710255     1 198 1.0
ATOM C CG1 . VAL A 1 26 . 26 VAL A CG1 71.78 -1.7277598  -3.1798458    -0.3339705    1 199 1.0
ATOM C CG2 . VAL A 1 26 . 26 VAL A CG2 71.02 -2.6886327  -3.7055147    1.9167019     1 200 1.0
ATOM N N   . ASN A 1 27 . 27 ASN A N   78.5  -3.7751396  -0.27698743   -0.8560845    1 201 1.0
ATOM C CA  . ASN A 1 27 . 27 ASN A CA  77.15 -3.7786674  0.50372726    -2.090723     1 202 1.0
ATOM C C   . ASN A 1 27 . 27 ASN A C   78.29 -3.4665184  1.9747509     -1.8610765    1 203 1.0
ATOM O O   . ASN A 1 27 . 27 ASN A O   76.35 -2.9110813  2.641535      -2.7370715    1 204 1.0
ATOM C CB  . ASN A 1 27 . 27 ASN A CB  75.27 -5.12798    0.36589187    -2.7970796    1 205 1.0
ATOM C CG  . ASN A 1 27 . 27 ASN A CG  73.02 -5.3522415  -1.0154896    -3.3915045    1 206 1.0
ATOM O OD1 . ASN A 1 27 . 27 ASN A OD1 65.29 -4.393655   -1.6967449    -3.7599025    1 207 1.0
ATOM N ND2 . ASN A 1 27 . 27 ASN A ND2 65.59 -6.6039886  -1.417913     -3.4944456    1 208 1.0
ATOM N N   . GLN A 1 28 . 28 GLN A N   80.4  -3.8288174  2.485258      -0.7127521    1 209 1.0
ATOM C CA  . GLN A 1 28 . 28 GLN A CA  79.99 -3.6755543  3.9145281     -0.44567055   1 210 1.0
ATOM C C   . GLN A 1 28 . 28 GLN A C   81.0  -2.3620822  4.2735167     0.2301521     1 211 1.0
ATOM O O   . GLN A 1 28 . 28 GLN A O   79.79 -1.9770334  5.4489355     0.22971836    1 212 1.0
ATOM C CB  . GLN A 1 28 . 28 GLN A CB  78.87 -4.8433685  4.4041862     0.40798637    1 213 1.0
ATOM C CG  . GLN A 1 28 . 28 GLN A CG  76.19 -6.1860275  4.370515      -0.32007775   1 214 1.0
ATOM C CD  . GLN A 1 28 . 28 GLN A CD  73.15 -7.368689   4.604848      0.60633636    1 215 1.0
ATOM O OE1 . GLN A 1 28 . 28 GLN A OE1 68.54 -7.1955     5.0124397     1.7583935     1 216 1.0
ATOM N NE2 . GLN A 1 28 . 28 GLN A NE2 65.32 -8.570761   4.366888      0.09963273    1 217 1.0
ATOM N N   . HIS A 1 29 . 29 HIS A N   82.24 -1.6779177  3.3016322     0.813997      1 218 1.0
ATOM C CA  . HIS A 1 29 . 29 HIS A CA  81.86 -0.4954438  3.6215487     1.6176453     1 219 1.0
ATOM C C   . HIS A 1 29 . 29 HIS A C   82.43 0.7898841   2.9175403     1.1897107     1 220 1.0
ATOM O O   . HIS A 1 29 . 29 HIS A O   81.31 1.8634406   3.263802      1.6935625     1 221 1.0
ATOM C CB  . HIS A 1 29 . 29 HIS A CB  81.13 -0.7754949  3.2839727     3.0814834     1 222 1.0
ATOM C CG  . HIS A 1 29 . 29 HIS A CG  81.96 -1.8525712  4.1226482     3.6917162     1 223 1.0
ATOM N ND1 . HIS A 1 29 . 29 HIS A ND1 74.89 -1.6246829  5.377181      4.213105      1 224 1.0
ATOM C CD2 . HIS A 1 29 . 29 HIS A CD2 75.35 -3.1792705  3.8845096     3.8477712     1 225 1.0
ATOM C CE1 . HIS A 1 29 . 29 HIS A CE1 73.3  -2.760421   5.8685284     4.6730733     1 226 1.0
ATOM N NE2 . HIS A 1 29 . 29 HIS A NE2 75.12 -3.7191768  4.980683      4.462082      1 227 1.0
ATOM N N   . LEU A 1 30 . 30 LEU A N   82.75 0.7124608   1.9457257     0.30758047    1 228 1.0
ATOM C CA  . LEU A 1 30 . 30 LEU A CA  82.26 1.897652    1.1862017     -0.06651606   1 229 1.0
ATOM C C   . LEU A 1 30 . 30 LEU A C   82.59 2.2061272   1.3041735     -1.5515394    1 230 1.0
ATOM O O   . LEU A 1 30 . 30 LEU A O   81.65 1.3095148   1.4209436     -2.3864965    1 231 1.0
ATOM C CB  . LEU A 1 30 . 30 LEU A CB  81.39 1.7135401   -0.29427153   0.29602295    1 232 1.0
ATOM C CG  . LEU A 1 30 . 30 LEU A CG  80.31 1.3811178   -0.5911557    1.7621934     1 233 1.0
ATOM C CD1 . LEU A 1 30 . 30 LEU A CD1 75.75 1.2544363   -2.095049     1.9747753     1 234 1.0
ATOM C CD2 . LEU A 1 30 . 30 LEU A CD2 75.74 2.4370866   -0.0004148566 2.686369      1 235 1.0
ATOM N N   . VAL A 1 31 . 31 VAL A N   82.71 3.4920082   1.2622888     -1.8609096    1 236 1.0
ATOM C CA  . VAL A 1 31 . 31 VAL A CA  81.54 3.9645782   1.2757086     -3.2384334    1 237 1.0
ATOM C C   . VAL A 1 31 . 31 VAL A C   81.35 4.211948    -0.16124034   -3.68044      1 238 1.0
ATOM O O   . VAL A 1 31 . 31 VAL A O   80.35 4.777203    -0.9559766    -2.933145     1 239 1.0
ATOM C CB  . VAL A 1 31 . 31 VAL A CB  81.36 5.2685714   2.091166      -3.3715274    1 240 1.0
ATOM C CG1 . VAL A 1 31 . 31 VAL A CG1 76.26 5.806398    2.0238328     -4.7910266    1 241 1.0
ATOM C CG2 . VAL A 1 31 . 31 VAL A CG2 76.54 5.03563     3.534448      -2.94448      1 242 1.0
ATOM N N   . CYS A 1 32 . 32 CYS A N   81.18 3.7843928   -0.49972492   -4.8779354    1 243 1.0
ATOM C CA  . CYS A 1 32 . 32 CYS A CA  80.45 4.025996    -1.8271797    -5.416993     1 244 1.0
ATOM C C   . CYS A 1 32 . 32 CYS A C   81.28 5.3412037   -1.8232718    -6.178713     1 245 1.0
ATOM O O   . CYS A 1 32 . 32 CYS A O   79.98 5.4761324   -1.1819451    -7.219659     1 246 1.0
ATOM C CB  . CYS A 1 32 . 32 CYS A CB  79.35 2.8873181   -2.2680106    -6.334541     1 247 1.0
ATOM S SG  . CYS A 1 32 . 32 CYS A SG  72.71 3.050728    -3.95689      -6.865486     1 248 1.0
ATOM N N   . GLY A 1 33 . 33 GLY A N   80.79 6.335654    -2.532226     -5.6680555    1 249 1.0
ATOM C CA  . GLY A 1 33 . 33 GLY A CA  80.77 7.6524544   -2.580188     -6.254525     1 250 1.0
ATOM C C   . GLY A 1 33 . 33 GLY A C   81.33 7.8128366   -3.7511678    -7.2040043    1 251 1.0
ATOM O O   . GLY A 1 33 . 33 GLY A O   80.54 6.832597    -4.320709     -7.701007     1 252 1.0
ATOM N N   . GLU A 1 34 . 34 GLU A N   79.99 9.04561     -4.1160374    -7.4530807    1 253 1.0
ATOM C CA  . GLU A 1 34 . 34 GLU A CA  79.44 9.333311    -5.2321544    -8.345488     1 254 1.0
ATOM C C   . GLU A 1 34 . 34 GLU A C   79.6  8.8232355   -6.5464315    -7.7664795    1 255 1.0
ATOM O O   . GLU A 1 34 . 34 GLU A O   77.53 8.857302    -6.7609186    -6.5537972    1 256 1.0
ATOM C CB  . GLU A 1 34 . 34 GLU A CB  79.18 10.842421   -5.318125     -8.592961     1 257 1.0
ATOM C CG  . GLU A 1 34 . 34 GLU A CG  76.06 11.424789   -4.1070457    -9.300386     1 258 1.0
ATOM C CD  . GLU A 1 34 . 34 GLU A CD  72.79 12.91654    -4.2257633    -9.552948     1 259 1.0
ATOM O OE1 . GLU A 1 34 . 34 GLU A OE1 69.27 13.493265   -5.2954836    -9.252205     1 260 1.0
ATOM O OE2 . GLU A 1 34 . 34 GLU A OE2 66.23 13.518449   -3.248633     -10.047469    1 261 1.0
ATOM N N   . ARG A 1 35 . 35 ARG A N   80.21 8.34901     -7.406289     -8.598816     1 262 1.0
ATOM C CA  . ARG A 1 35 . 35 ARG A CA  78.67 7.823982    -8.722613     -8.231934     1 263 1.0
ATOM C C   . ARG A 1 35 . 35 ARG A C   78.2  6.631027    -8.643371     -7.2887497    1 264 1.0
ATOM O O   . ARG A 1 35 . 35 ARG A O   75.28 6.3653345   -9.564073     -6.511611     1 265 1.0
ATOM C CB  . ARG A 1 35 . 35 ARG A CB  79.3  8.928417    -9.591766     -7.612522     1 266 1.0
ATOM C CG  . ARG A 1 35 . 35 ARG A CG  78.16 10.104676   -9.86231      -8.539309     1 267 1.0
ATOM C CD  . ARG A 1 35 . 35 ARG A CD  74.18 11.198992   -10.650385    -7.8416166    1 268 1.0
ATOM N NE  . ARG A 1 35 . 35 ARG A NE  69.52 12.302435   -10.95067     -8.751574     1 269 1.0
ATOM C CZ  . ARG A 1 35 . 35 ARG A CZ  64.9  12.446585   -12.08373     -9.407424     1 270 1.0
ATOM N NH1 . ARG A 1 35 . 35 ARG A NH1 63.84 11.577021   -13.07054     -9.218946     1 271 1.0
ATOM N NH2 . ARG A 1 35 . 35 ARG A NH2 63.76 13.474989   -12.245554    -10.228945    1 272 1.0
ATOM N N   . GLY A 1 36 . 36 GLY A N   75.72 5.9462047   -7.5633593    -7.32998      1 273 1.0
ATOM C CA  . GLY A 1 36 . 36 GLY A CA  74.21 4.7571955   -7.3972044    -6.5223093    1 274 1.0
ATOM C C   . GLY A 1 36 . 36 GLY A C   75.51 5.016696    -7.142967     -5.0532794    1 275 1.0
ATOM O O   . GLY A 1 36 . 36 GLY A O   72.92 4.1041584   -7.233259     -4.232612     1 276 1.0
ATOM N N   . PHE A 1 37 . 37 PHE A N   78.15 6.241972    -6.806634     -4.7142224    1 277 1.0
ATOM C CA  . PHE A 1 37 . 37 PHE A CA  77.96 6.5686655   -6.5058584    -3.3193936    1 278 1.0
ATOM C C   . PHE A 1 37 . 37 PHE A C   79.23 6.073954    -5.110462     -2.9393854    1 279 1.0
ATOM O O   . PHE A 1 37 . 37 PHE A O   78.23 6.329793    -4.1332808    -3.645937     1 280 1.0
ATOM C CB  . PHE A 1 37 . 37 PHE A CB  76.35 8.08087     -6.5952535    -3.0986114    1 281 1.0
ATOM C CG  . PHE A 1 37 . 37 PHE A CG  75.85 8.498509    -6.3215733    -1.6838615    1 282 1.0
ATOM C CD1 . PHE A 1 37 . 37 PHE A CD1 69.39 9.001022    -5.084913     -1.3086222    1 283 1.0
ATOM C CD2 . PHE A 1 37 . 37 PHE A CD2 70.06 8.367657    -7.307414     -0.70768714   1 284 1.0
ATOM C CE1 . PHE A 1 37 . 37 PHE A CE1 67.49 9.383133    -4.826554     -0.0013905568 1 285 1.0
ATOM C CE2 . PHE A 1 37 . 37 PHE A CE2 67.12 8.746427    -7.063404     0.6020144     1 286 1.0
ATOM C CZ  . PHE A 1 37 . 37 PHE A CZ  67.51 9.258887    -5.82197      0.95281804    1 287 1.0
ATOM N N   . PHE A 1 38 . 38 PHE A N   80.8  5.383585    -5.0317254    -1.8157223    1 288 1.0
ATOM C CA  . PHE A 1 38 . 38 PHE A CA  80.33 4.8492565   -3.7585535    -1.3495378    1 289 1.0
ATOM C C   . PHE A 1 38 . 38 PHE A C   81.01 5.7487407   -3.143081     -0.2902429    1 290 1.0
ATOM O O   . PHE A 1 38 . 38 PHE A O   80.28 6.267463    -3.8421938    0.5764954     1 291 1.0
ATOM C CB  . PHE A 1 38 . 38 PHE A CB  79.31 3.444099    -3.9513042    -0.7833377    1 292 1.0
ATOM C CG  . PHE A 1 38 . 38 PHE A CG  79.3  2.4164402   -4.2711625    -1.8353031    1 293 1.0
ATOM C CD1 . PHE A 1 38 . 38 PHE A CD1 74.62 1.6791296   -3.2614336    -2.4318347    1 294 1.0
ATOM C CD2 . PHE A 1 38 . 38 PHE A CD2 74.81 2.1968026   -5.583047     -2.2230012    1 295 1.0
ATOM C CE1 . PHE A 1 38 . 38 PHE A CE1 72.96 0.7357055   -3.5528169    -3.4066143    1 296 1.0
ATOM C CE2 . PHE A 1 38 . 38 PHE A CE2 72.16 1.2576717   -5.8880367    -3.194605     1 297 1.0
ATOM C CZ  . PHE A 1 38 . 38 PHE A CZ  73.27 0.5269251   -4.8726683    -3.7834618    1 298 1.0
ATOM N N   . TYR A 1 39 . 39 TYR A N   83.08 5.9009166   -1.8417623    -0.3511905    1 299 1.0
ATOM C CA  . TYR A 1 39 . 39 TYR A CA  82.81 6.699057    -1.13374      0.6401832     1 300 1.0
ATOM C C   . TYR A 1 39 . 39 TYR A C   82.72 6.151717    0.27145657    0.86137974    1 301 1.0
ATOM O O   . TYR A 1 39 . 39 TYR A O   81.98 5.3792286   0.7879939     0.047105297   1 302 1.0
ATOM C CB  . TYR A 1 39 . 39 TYR A CB  82.2  8.184405    -1.088978     0.2235198     1 303 1.0
ATOM C CG  . TYR A 1 39 . 39 TYR A CG  83.8  8.464277    -0.33384213   -1.058823     1 304 1.0
ATOM C CD1 . TYR A 1 39 . 39 TYR A CD1 78.75 8.825457    1.0163708     -1.0195366    1 305 1.0
ATOM C CD2 . TYR A 1 39 . 39 TYR A CD2 79.98 8.379458    -0.9562533    -2.2999432    1 306 1.0
ATOM C CE1 . TYR A 1 39 . 39 TYR A CE1 78.98 9.103315    1.7285051     -2.1862783    1 307 1.0
ATOM C CE2 . TYR A 1 39 . 39 TYR A CE2 78.37 8.649467    -0.2600206    -3.4758205    1 308 1.0
ATOM C CZ  . TYR A 1 39 . 39 TYR A CZ  79.85 9.012376    1.0777825     -3.4110312    1 309 1.0
ATOM O OH  . TYR A 1 39 . 39 TYR A OH  78.0  9.281103    1.7768261     -4.5632367    1 310 1.0
ATOM N N   . THR A 1 40 . 40 THR A N   83.99 6.562077    0.8569177     1.9651365     1 311 1.0
ATOM C CA  . THR A 1 40 . 40 THR A CA  84.11 6.1451073   2.21284       2.3115234     1 312 1.0
ATOM C C   . THR A 1 40 . 40 THR A C   85.06 6.96161     3.2206492     1.5071149     1 313 1.0
ATOM O O   . THR A 1 40 . 40 THR A O   84.49 8.166908    3.044327      1.3280082     1 314 1.0
ATOM C CB  . THR A 1 40 . 40 THR A CB  83.2  6.345777    2.462791      3.812953      1 315 1.0
ATOM O OG1 . THR A 1 40 . 40 THR A OG1 78.64 5.6369214   1.450978      4.5418406     1 316 1.0
ATOM C CG2 . THR A 1 40 . 40 THR A CG2 78.97 5.8258953   3.835256      4.214181      1 317 1.0
ATOM N N   . PRO A 1 41 . 41 PRO A N   84.82 6.329098    4.282633      1.0020709     1 318 1.0
ATOM C CA  . PRO A 1 41 . 41 PRO A CA  84.73 7.0806336   5.3023853     0.24920622    1 319 1.0
ATOM C C   . PRO A 1 41 . 41 PRO A C   86.19 8.278324    5.8073606     1.0451105     1 320 1.0
ATOM O O   . PRO A 1 41 . 41 PRO A O   86.19 8.138718    6.1499014     2.219984      1 321 1.0
ATOM C CB  . PRO A 1 41 . 41 PRO A CB  83.72 6.042857    6.411971      0.024496138   1 322 1.0
ATOM C CG  . PRO A 1 41 . 41 PRO A CG  82.52 4.720294    5.7093906     0.040186502   1 323 1.0
ATOM C CD  . PRO A 1 41 . 41 PRO A CD  86.21 4.8834696   4.6105824     1.0624839     1 324 1.0
ATOM N N   . LYS A 1 42 . 42 LYS A N   84.52 9.428976    5.861946      0.41413087    1 325 1.0
ATOM C CA  . LYS A 1 42 . 42 LYS A CA  84.8  10.662657   6.2894154     1.0777961     1 326 1.0
ATOM C C   . LYS A 1 42 . 42 LYS A C   86.2  11.041857   7.7245893     0.73562735    1 327 1.0
ATOM O O   . LYS A 1 42 . 42 LYS A O   85.51 11.887981   8.314895      1.4081295     1 328 1.0
ATOM C CB  . LYS A 1 42 . 42 LYS A CB  84.31 11.811722   5.3503447     0.6912814     1 329 1.0
ATOM C CG  . LYS A 1 42 . 42 LYS A CG  82.87 11.617765   3.910482      1.1527961     1 330 1.0
ATOM C CD  . LYS A 1 42 . 42 LYS A CD  77.95 12.805394   3.0491724     0.7813896     1 331 1.0
ATOM C CE  . LYS A 1 42 . 42 LYS A CE  75.03 12.590069   1.6052527     1.1981361     1 332 1.0
ATOM N NZ  . LYS A 1 42 . 42 LYS A NZ  70.29 12.412002   1.4747667     2.6616473     1 333 1.0
ATOM N N   . THR A 1 43 . 43 THR A N   86.13 10.448149   8.283911      -0.280985     1 334 1.0
ATOM C CA  . THR A 1 43 . 43 THR A CA  86.98 10.733067   9.652391      -0.69411623   1 335 1.0
ATOM C C   . THR A 1 43 . 43 THR A C   87.74 9.431778    10.415532     -0.8945885    1 336 1.0
ATOM O O   . THR A 1 43 . 43 THR A O   87.55 8.352812    9.820655      -1.0565112    1 337 1.0
ATOM C CB  . THR A 1 43 . 43 THR A CB  86.75 11.538197   9.696646      -2.01573      1 338 1.0
ATOM O OG1 . THR A 1 43 . 43 THR A OG1 82.7  10.718868   9.22233       -3.0971375    1 339 1.0
ATOM C CG2 . THR A 1 43 . 43 THR A CG2 82.44 12.787237   8.8232        -1.9276358    1 340 1.0
ATOM N N   . ARG A 1 44 . 44 ARG A N   87.32 9.54386     11.729921     -0.9056543    1 341 1.0
ATOM C CA  . ARG A 1 44 . 44 ARG A CA  87.16 8.375882    12.566483     -1.1386425    1 342 1.0
ATOM C C   . ARG A 1 44 . 44 ARG A C   87.45 7.7989016   12.311453     -2.5262508    1 343 1.0
ATOM O O   . ARG A 1 44 . 44 ARG A O   85.74 6.575668    12.308987     -2.7167559    1 344 1.0
ATOM C CB  . ARG A 1 44 . 44 ARG A CB  88.11 8.735458    14.047552     -0.9734752    1 345 1.0
ATOM C CG  . ARG A 1 44 . 44 ARG A CG  84.17 7.530202    14.97037      -1.0325273    1 346 1.0
ATOM C CD  . ARG A 1 44 . 44 ARG A CD  81.03 7.9298506   16.432693     -0.835471     1 347 1.0
ATOM N NE  . ARG A 1 44 . 44 ARG A NE  74.06 8.559603    16.654194     0.46688873    1 348 1.0
ATOM C CZ  . ARG A 1 44 . 44 ARG A CZ  68.81 7.8930545   16.931858     1.5882592     1 349 1.0
ATOM N NH1 . ARG A 1 44 . 44 ARG A NH1 66.55 6.567113    17.026546     1.5706298     1 350 1.0
ATOM N NH2 . ARG A 1 44 . 44 ARG A NH2 67.07 8.562414    17.11439      2.724727      1 351 1.0
ATOM N N   . ARG A 1 45 . 45 ARG A N   89.8  8.649202    12.070244     -3.512341     1 352 1.0
ATOM C CA  . ARG A 1 45 . 45 ARG A CA  88.22 8.194216    11.806166     -4.8693347    1 353 1.0
ATOM C C   . ARG A 1 45 . 45 ARG A C   87.92 7.3297677   10.540809     -4.9304914    1 354 1.0
ATOM O O   . ARG A 1 45 . 45 ARG A O   85.99 6.2808604   10.5144825    -5.5825195    1 355 1.0
ATOM C CB  . ARG A 1 45 . 45 ARG A CB  88.04 9.379845    11.671026     -5.8315344    1 356 1.0
ATOM C CG  . ARG A 1 45 . 45 ARG A CG  83.41 8.957649    11.397543     -7.2687273    1 357 1.0
ATOM C CD  . ARG A 1 45 . 45 ARG A CD  79.53 10.153063   11.066233     -8.168418     1 358 1.0
ATOM N NE  . ARG A 1 45 . 45 ARG A NE  72.93 11.03018    12.225042     -8.341929     1 359 1.0
ATOM C CZ  . ARG A 1 45 . 45 ARG A CZ  68.4  10.966026   13.064728     -9.361243     1 360 1.0
ATOM N NH1 . ARG A 1 45 . 45 ARG A NH1 65.48 10.076553   12.874517     -10.333852    1 361 1.0
ATOM N NH2 . ARG A 1 45 . 45 ARG A NH2 66.22 11.803556   14.088516     -9.431875     1 362 1.0
ATOM N N   . GLU A 1 46 . 46 GLU A N   87.93 7.779064    9.48065       -4.2706423    1 363 1.0
ATOM C CA  . GLU A 1 46 . 46 GLU A CA  87.57 7.0041723   8.242347      -4.2469034    1 364 1.0
ATOM C C   . GLU A 1 46 . 46 GLU A C   87.31 5.651181    8.449876      -3.5782862    1 365 1.0
ATOM O O   . GLU A 1 46 . 46 GLU A O   86.7  4.6333246   7.921873      -4.0302076    1 366 1.0
ATOM C CB  . GLU A 1 46 . 46 GLU A CB  87.15 7.775606    7.1302643     -3.5300694    1 367 1.0
ATOM C CG  . GLU A 1 46 . 46 GLU A CG  84.17 8.956289    6.5895405     -4.321789     1 368 1.0
ATOM C CD  . GLU A 1 46 . 46 GLU A CD  84.1  9.635279    5.4207487     -3.630254     1 369 1.0
ATOM O OE1 . GLU A 1 46 . 46 GLU A OE1 80.15 9.453405    5.2635336     -2.3990443    1 370 1.0
ATOM O OE2 . GLU A 1 46 . 46 GLU A OE2 79.04 10.354528   4.6647735     -4.313225     1 371 1.0
ATOM N N   . ALA A 1 47 . 47 ALA A N   85.9  5.639413    9.20364       -2.5076227    1 372 1.0
ATOM C CA  . ALA A 1 47 . 47 ALA A CA  85.33 4.3908734   9.474897      -1.8086438    1 373 1.0
ATOM C C   . ALA A 1 47 . 47 ALA A C   86.1  3.4308047   10.255085     -2.6993065    1 374 1.0
ATOM O O   . ALA A 1 47 . 47 ALA A O   84.9  2.227466    9.983093      -2.7358747    1 375 1.0
ATOM C CB  . ALA A 1 47 . 47 ALA A CB  84.81 4.661564    10.243361     -0.51078254   1 376 1.0
ATOM N N   . GLU A 1 48 . 48 GLU A N   86.87 3.9484863   11.22746      -3.4213696    1 377 1.0
ATOM C CA  . GLU A 1 48 . 48 GLU A CA  85.81 3.1094832   12.018449     -4.3114243    1 378 1.0
ATOM C C   . GLU A 1 48 . 48 GLU A C   85.61 2.592723    11.183563     -5.479575     1 379 1.0
ATOM O O   . GLU A 1 48 . 48 GLU A O   83.58 1.4370844   11.323055     -5.889162     1 380 1.0
ATOM C CB  . GLU A 1 48 . 48 GLU A CB  85.71 3.889965    13.234478     -4.819768     1 381 1.0
ATOM C CG  . GLU A 1 48 . 48 GLU A CG  80.62 4.1653357   14.268569     -3.7370694    1 382 1.0
ATOM C CD  . GLU A 1 48 . 48 GLU A CD  78.46 5.1214485   15.361336     -4.1850605    1 383 1.0
ATOM O OE1 . GLU A 1 48 . 48 GLU A OE1 71.9  5.706966    15.2310095    -5.279398     1 384 1.0
ATOM O OE2 . GLU A 1 48 . 48 GLU A OE2 69.2  5.2759027   16.352962     -3.4366326    1 385 1.0
ATOM N N   . ASP A 1 49 . 49 ASP A N   84.12 3.4254746   10.309141     -6.0255103    1 386 1.0
ATOM C CA  . ASP A 1 49 . 49 ASP A CA  82.65 2.9955525   9.434412      -7.108115     1 387 1.0
ATOM C C   . ASP A 1 49 . 49 ASP A C   83.11 1.8830106   8.499281      -6.646817     1 388 1.0
ATOM O O   . ASP A 1 49 . 49 ASP A O   81.02 0.9524905   8.197464      -7.3946333    1 389 1.0
ATOM C CB  . ASP A 1 49 . 49 ASP A CB  80.73 4.175683    8.616062      -7.643279     1 390 1.0
ATOM C CG  . ASP A 1 49 . 49 ASP A CG  79.29 5.174029    9.444628      -8.436836     1 391 1.0
ATOM O OD1 . ASP A 1 49 . 49 ASP A OD1 71.6  6.291256    8.940303      -8.684486     1 392 1.0
ATOM O OD2 . ASP A 1 49 . 49 ASP A OD2 72.77 4.8388577   10.583071     -8.809931     1 393 1.0
ATOM N N   . LEU A 1 50 . 50 LEU A N   82.63 1.9885285   8.027294      -5.4265203    1 394 1.0
ATOM C CA  . LEU A 1 50 . 50 LEU A CA  81.77 0.9604969   7.1621585     -4.875594     1 395 1.0
ATOM C C   . LEU A 1 50 . 50 LEU A C   82.22 -0.369917   7.88939       -4.779224     1 396 1.0
ATOM O O   . LEU A 1 50 . 50 LEU A O   80.85 -1.4266925  7.3440275     -5.1105323    1 397 1.0
ATOM C CB  . LEU A 1 50 . 50 LEU A CB  80.75 1.393987    6.6409826     -3.5003922    1 398 1.0
ATOM C CG  . LEU A 1 50 . 50 LEU A CG  78.07 0.43980587  5.655118      -2.8150313    1 399 1.0
ATOM C CD1 . LEU A 1 50 . 50 LEU A CD1 72.72 0.9671024   5.3123174     -1.422904     1 400 1.0
ATOM C CD2 . LEU A 1 50 . 50 LEU A CD2 72.85 0.26525158  4.4069133     -3.6597767    1 401 1.0
ATOM N N   . GLN A 1 51 . 51 GLN A N   81.36 -0.34014845 9.124944      -4.3531823    1 402 1.0
ATOM C CA  . GLN A 1 51 . 51 GLN A CA  80.15 -1.5565     9.919255      -4.2477303    1 403 1.0
ATOM C C   . GLN A 1 51 . 51 GLN A C   80.58 -2.1786823  10.16711      -5.6155415    1 404 1.0
ATOM O O   . GLN A 1 51 . 51 GLN A O   79.1  -3.4010873  10.121046     -5.771636     1 405 1.0
ATOM C CB  . GLN A 1 51 . 51 GLN A CB  79.32 -1.2602859  11.244903     -3.5531511    1 406 1.0
ATOM C CG  . GLN A 1 51 . 51 GLN A CG  74.9  -0.86024636 11.093688     -2.100666     1 407 1.0
ATOM C CD  . GLN A 1 51 . 51 GLN A CD  72.4  -0.39367378 12.4043       -1.4994009    1 408 1.0
ATOM O OE1 . GLN A 1 51 . 51 GLN A OE1 67.33 -0.5121535  13.455189     -2.1216621    1 409 1.0
ATOM N NE2 . GLN A 1 51 . 51 GLN A NE2 64.75 0.13501927  12.339458     -0.28439367   1 410 1.0
ATOM N N   . VAL A 1 52 . 52 VAL A N   78.9  -1.3521116  10.432756     -6.607261     1 411 1.0
ATOM C CA  . VAL A 1 52 . 52 VAL A CA  76.87 -1.8354175  10.6523       -7.960522     1 412 1.0
ATOM C C   . VAL A 1 52 . 52 VAL A C   76.55 -2.5292864  9.402493      -8.491621     1 413 1.0
ATOM O O   . VAL A 1 52 . 52 VAL A O   74.98 -3.5884628  9.466589      -9.107511     1 414 1.0
ATOM C CB  . VAL A 1 52 . 52 VAL A CB  76.02 -0.6863924  11.0693       -8.905673     1 415 1.0
ATOM C CG1 . VAL A 1 52 . 52 VAL A CG1 70.38 -1.1519237  11.048169     -10.360432    1 416 1.0
ATOM C CG2 . VAL A 1 52 . 52 VAL A CG2 70.84 -0.18677561 12.461777     -8.526272     1 417 1.0
ATOM N N   . GLY A 1 53 . 53 GLY A N   74.96 -1.9448467  8.250064      -8.2465725    1 418 1.0
ATOM C CA  . GLY A 1 53 . 53 GLY A CA  72.98 -2.5254757  7.006301      -8.685648     1 419 1.0
ATOM C C   . GLY A 1 53 . 53 GLY A C   73.68 -3.8904188  6.7460904     -8.083425     1 420 1.0
ATOM O O   . GLY A 1 53 . 53 GLY A O   71.21 -4.7992663  6.2566156     -8.748999     1 421 1.0
ATOM N N   . GLN A 1 54 . 54 GLN A N   72.06 -4.0586486  7.0792046     -6.8369093    1 422 1.0
ATOM C CA  . GLN A 1 54 . 54 GLN A CA  71.42 -5.341627   6.888336      -6.167777     1 423 1.0
ATOM C C   . GLN A 1 54 . 54 GLN A C   72.18 -6.406134   7.8178425     -6.740163     1 424 1.0
ATOM O O   . GLN A 1 54 . 54 GLN A O   71.02 -7.5627394  7.4313364     -6.908294     1 425 1.0
ATOM C CB  . GLN A 1 54 . 54 GLN A CB  70.31 -5.1960917  7.1099806     -4.6650524    1 426 1.0
ATOM C CG  . GLN A 1 54 . 54 GLN A CG  66.9  -4.4691057  5.9915133     -3.9481978    1 427 1.0
ATOM C CD  . GLN A 1 54 . 54 GLN A CD  65.53 -5.205305   4.6752825     -4.0844812    1 428 1.0
ATOM O OE1 . GLN A 1 54 . 54 GLN A OE1 62.5  -6.394283   4.5899186     -3.8132555    1 429 1.0
ATOM N NE2 . GLN A 1 54 . 54 GLN A NE2 60.44 -4.5005074  3.6479235     -4.517024     1 430 1.0
ATOM N N   . VAL A 1 55 . 55 VAL A N   70.81 -6.030985   9.0383625     -7.053849     1 431 1.0
ATOM C CA  . VAL A 1 55 . 55 VAL A CA  69.88 -6.968755   9.985348      -7.6334114    1 432 1.0
ATOM C C   . VAL A 1 55 . 55 VAL A C   70.31 -7.421548   9.51551       -9.010931     1 433 1.0
ATOM O O   . VAL A 1 55 . 55 VAL A O   68.93 -8.608809   9.564797      -9.341497     1 434 1.0
ATOM C CB  . VAL A 1 55 . 55 VAL A CB  69.07 -6.353631   11.398264     -7.716363     1 435 1.0
ATOM C CG1 . VAL A 1 55 . 55 VAL A CG1 64.12 -7.250923   12.323248     -8.531773     1 436 1.0
ATOM C CG2 . VAL A 1 55 . 55 VAL A CG2 65.17 -6.143745   11.949995     -6.308503     1 437 1.0
ATOM N N   . GLU A 1 56 . 56 GLU A N   69.41 -6.4937406  9.041231      -9.832562     1 438 1.0
ATOM C CA  . GLU A 1 56 . 56 GLU A CA  67.38 -6.8225536  8.602064      -11.175812    1 439 1.0
ATOM C C   . GLU A 1 56 . 56 GLU A C   68.34 -7.7430115  7.3857784     -11.18134     1 440 1.0
ATOM O O   . GLU A 1 56 . 56 GLU A O   65.35 -8.574119   7.2313433     -12.078753    1 441 1.0
ATOM C CB  . GLU A 1 56 . 56 GLU A CB  65.7  -5.5457797  8.297386      -11.962202    1 442 1.0
ATOM C CG  . GLU A 1 56 . 56 GLU A CG  61.01 -4.7180777  9.533943      -12.281892    1 443 1.0
ATOM C CD  . GLU A 1 56 . 56 GLU A CD  58.92 -3.443433   9.213785      -13.03841     1 444 1.0
ATOM O OE1 . GLU A 1 56 . 56 GLU A OE1 55.4  -3.0885434  8.015133      -13.134203    1 445 1.0
ATOM O OE2 . GLU A 1 56 . 56 GLU A OE2 53.11 -2.7960405  10.159849     -13.538713    1 446 1.0
ATOM N N   . LEU A 1 57 . 57 LEU A N   63.82 -7.6182876  6.5231953     -10.175943    1 447 1.0
ATOM C CA  . LEU A 1 57 . 57 LEU A CA  62.39 -8.468992   5.3449855     -10.089613    1 448 1.0
ATOM C C   . LEU A 1 57 . 57 LEU A C   63.2  -9.795998   5.628124      -9.393833     1 449 1.0
ATOM O O   . LEU A 1 57 . 57 LEU A O   61.17 -10.638812  4.739982      -9.258985     1 450 1.0
ATOM C CB  . LEU A 1 57 . 57 LEU A CB  61.11 -7.729658   4.2195125     -9.353851     1 451 1.0
ATOM C CG  . LEU A 1 57 . 57 LEU A CG  58.04 -6.5282574  3.6231003     -10.085516    1 452 1.0
ATOM C CD1 . LEU A 1 57 . 57 LEU A CD1 55.37 -5.8266315  2.6117887     -9.185455     1 453 1.0
ATOM C CD2 . LEU A 1 57 . 57 LEU A CD2 55.29 -6.9700174  2.9614167     -11.38171     1 454 1.0
ATOM N N   . GLY A 1 58 . 58 GLY A N   64.43 -9.952532   6.827037      -8.945538     1 455 1.0
ATOM C CA  . GLY A 1 58 . 58 GLY A CA  62.26 -11.168119  7.20192       -8.250662     1 456 1.0
ATOM C C   . GLY A 1 58 . 58 GLY A C   63.52 -11.125316  6.885476      -6.766506     1 457 1.0
ATOM O O   . GLY A 1 58 . 58 GLY A O   60.45 -12.144355  6.918441      -6.097165     1 458 1.0
ATOM N N   . GLY A 1 59 . 59 GLY A N   61.53 -9.969566   6.5516367     -6.3062134    1 459 1.0
ATOM C CA  . GLY A 1 59 . 59 GLY A CA  60.51 -9.7806015  6.2214766     -4.9090834    1 460 1.0
ATOM C C   . GLY A 1 59 . 59 GLY A C   61.58 -9.520316   7.4497714     -4.0420065    1 461 1.0
ATOM O O   . GLY A 1 59 . 59 GLY A O   59.34 -8.825744   7.3214083     -3.0593288    1 462 1.0
ATOM O OXT . GLY A 1 59 . 59 GLY A OXT 59.85 -9.86974    8.572876      -4.3488035    1 463 1.0
#
