data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 TYR 0 3 ASP 0 4 PHE 0 5 ILE 0 6 VAL 0 7 HIS 0 8 HIS 0 9 TRP 0 10 ASN 0 11 GLU 0 12 SER 0 13 VAL 0 14 ASP 0 15 GLY 0 16 GLN 0 17 LEU 0 18 THR 0 19 LEU 0 20 GLU 0 21 ASN 0 22 MET 0 23 LEU 0 24 LYS 0 25 LYS 0 26 LEU 0 27 LYS 0 28 SER 0 29 GLU 0 30 GLY 0 31 CYS 0 32 SER 0 33 CYS 0 34 ILE 0 35 LYS 0 36 TYR 0 37 LYS 0 38 PHE 0 39 THR 0 40 PRO 0 41 GLY 0 42 THR 0 43 ASN 0 44 PHE 0 45 PRO 0 46 GLU 0 47 HIS 0 48 THR 0 49 HIS 0 50 ASP 0 51 GLU 0 52 ASP 0 53 LYS 0 54 LEU 0 55 ASP 0 56 CYS 0 57 ILE 0 58 VAL 0 59 SER 0 60 GLY 0 61 GLN 0 62 LEU 0 63 SER 0 64 PHE 0 65 SER 0 66 MET 0 67 TYR 0 68 GLY 0 69 LYS 0 70 GLU 0 71 ILE 0 72 ILE 0 73 LEU 0 74 GLY 0 75 PRO 0 76 GLY 0 77 ASP 0 78 ARG 0 79 LEU 0 80 GLU 0 81 VAL 0 82 PRO 0 83 ARG 0 84 ASN 0 85 ILE 0 86 PRO 0 87 HIS 0 88 SER 0 89 ALA 0 90 ARG 0 91 VAL 0 92 VAL 0 93 GLY 0 94 LYS 0 95 ASN 0 96 PRO 0 97 LEU 0 98 VAL 0 99 PHE 0 100 VAL 0 101 ASP 0 102 ALA 0 103 THR 0 104 ARG 0 105 ARG 0 106 ARG # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # 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_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 14.119 -14.668 -8.046 1.00 63.59 1 A 1 ATOM 2 C CA . MET A 0 1 . 13.252 -13.689 -8.735 1.00 63.59 1 A 1 ATOM 3 C C . MET A 0 1 . 12.494 -12.951 -7.649 1.00 63.59 1 A 1 ATOM 4 C CB . MET A 0 1 . 12.308 -14.406 -9.715 1.00 63.59 1 A 1 ATOM 5 O O . MET A 0 1 . 12.020 -13.625 -6.744 1.00 63.59 1 A 1 ATOM 6 C CG . MET A 0 1 . 11.463 -13.454 -10.568 1.00 63.59 1 A 1 ATOM 7 S SD . MET A 0 1 . 10.358 -14.307 -11.728 1.00 63.59 1 A 1 ATOM 8 C CE . MET A 0 1 . 11.496 -14.736 -13.076 1.00 63.59 1 A 1 ATOM 9 N N . TYR A 0 2 . 12.475 -11.620 -7.672 1.00 87.31 2 A 1 ATOM 10 C CA . TYR A 0 2 . 11.752 -10.843 -6.663 1.00 87.31 2 A 1 ATOM 11 C C . TYR A 0 2 . 10.243 -10.919 -6.912 1.00 87.31 2 A 1 ATOM 12 C CB . TYR A 0 2 . 12.266 -9.400 -6.632 1.00 87.31 2 A 1 ATOM 13 O O . TYR A 0 2 . 9.810 -11.097 -8.054 1.00 87.31 2 A 1 ATOM 14 C CG . TYR A 0 2 . 13.713 -9.281 -6.193 1.00 87.31 2 A 1 ATOM 15 C CD1 . TYR A 0 2 . 14.024 -9.299 -4.820 1.00 87.31 2 A 1 ATOM 16 C CD2 . TYR A 0 2 . 14.744 -9.161 -7.147 1.00 87.31 2 A 1 ATOM 17 C CE1 . TYR A 0 2 . 15.363 -9.205 -4.394 1.00 87.31 2 A 1 ATOM 18 C CE2 . TYR A 0 2 . 16.085 -9.077 -6.725 1.00 87.31 2 A 1 ATOM 19 O OH . TYR A 0 2 . 17.691 -9.010 -4.951 1.00 87.31 2 A 1 ATOM 20 C CZ . TYR A 0 2 . 16.396 -9.097 -5.349 1.00 87.31 2 A 1 ATOM 21 N N . ASP A 0 3 . 9.463 -10.830 -5.841 1.00 93.34 3 A 1 ATOM 22 C CA . ASP A 0 3 . 8.006 -10.870 -5.891 1.00 93.34 3 A 1 ATOM 23 C C . ASP A 0 3 . 7.406 -9.870 -4.904 1.00 93.34 3 A 1 ATOM 24 C CB . ASP A 0 3 . 7.492 -12.302 -5.617 1.00 93.34 3 A 1 ATOM 25 O O . ASP A 0 3 . 8.120 -9.305 -4.073 1.00 93.34 3 A 1 ATOM 26 C CG . ASP A 0 3 . 6.283 -12.656 -6.490 1.00 93.34 3 A 1 ATOM 27 O OD1 . ASP A 0 3 . 5.699 -11.739 -7.113 1.00 93.34 3 A 1 ATOM 28 O OD2 . ASP A 0 3 . 6.093 -13.852 -6.788 1.00 93.34 3 A 1 ATOM 29 N N . PHE A 0 4 . 6.097 -9.655 -5.000 1.00 98.05 4 A 1 ATOM 30 C CA . PHE A 0 4 . 5.367 -8.844 -4.032 1.00 98.05 4 A 1 ATOM 31 C C . PHE A 0 4 . 5.360 -9.512 -2.655 1.00 98.05 4 A 1 ATOM 32 C CB . PHE A 0 4 . 3.933 -8.599 -4.514 1.00 98.05 4 A 1 ATOM 33 O O . PHE A 0 4 . 5.077 -10.704 -2.536 1.00 98.05 4 A 1 ATOM 34 C CG . PHE A 0 4 . 3.836 -7.912 -5.859 1.00 98.05 4 A 1 ATOM 35 C CD1 . PHE A 0 4 . 3.831 -6.510 -5.940 1.00 98.05 4 A 1 ATOM 36 C CD2 . PHE A 0 4 . 3.697 -8.674 -7.031 1.00 98.05 4 A 1 ATOM 37 C CE1 . PHE A 0 4 . 3.726 -5.874 -7.185 1.00 98.05 4 A 1 ATOM 38 C CE2 . PHE A 0 4 . 3.557 -8.032 -8.271 1.00 98.05 4 A 1 ATOM 39 C CZ . PHE A 0 4 . 3.597 -6.631 -8.356 1.00 98.05 4 A 1 ATOM 40 N N . ILE A 0 5 . 5.604 -8.721 -1.611 1.00 98.08 5 A 1 ATOM 41 C CA . ILE A 0 5 . 5.358 -9.123 -0.225 1.00 98.08 5 A 1 ATOM 42 C C . ILE A 0 5 . 4.176 -8.299 0.271 1.00 98.08 5 A 1 ATOM 43 C CB . ILE A 0 5 . 6.618 -8.975 0.652 1.00 98.08 5 A 1 ATOM 44 O O . ILE A 0 5 . 4.298 -7.098 0.514 1.00 98.08 5 A 1 ATOM 45 C CG1 . ILE A 0 5 . 7.784 -9.814 0.079 1.00 98.08 5 A 1 ATOM 46 C CG2 . ILE A 0 5 . 6.286 -9.400 2.095 1.00 98.08 5 A 1 ATOM 47 C CD1 . ILE A 0 5 . 9.105 -9.646 0.838 1.00 98.08 5 A 1 ATOM 48 N N . VAL A 0 6 . 3.019 -8.953 0.371 1.00 98.59 6 A 1 ATOM 49 C CA . VAL A 0 6 . 1.771 -8.337 0.825 1.00 98.59 6 A 1 ATOM 50 C C . VAL A 0 6 . 1.400 -8.913 2.179 1.00 98.59 6 A 1 ATOM 51 C CB . VAL A 0 6 . 0.622 -8.519 -0.185 1.00 98.59 6 A 1 ATOM 52 O O . VAL A 0 6 . 1.269 -10.126 2.340 1.00 98.59 6 A 1 ATOM 53 C CG1 . VAL A 0 6 . -0.617 -7.729 0.256 1.00 98.59 6 A 1 ATOM 54 C CG2 . VAL A 0 6 . 1.017 -8.014 -1.578 1.00 98.59 6 A 1 ATOM 55 N N . HIS A 0 7 . 1.207 -8.029 3.151 1.00 98.36 7 A 1 ATOM 56 C CA . HIS A 0 7 . 0.661 -8.382 4.454 1.00 98.36 7 A 1 ATOM 57 C C . HIS A 0 7 . -0.816 -8.025 4.487 1.00 98.36 7 A 1 ATOM 58 C CB . HIS A 0 7 . 1.422 -7.658 5.564 1.00 98.36 7 A 1 ATOM 59 O O . HIS A 0 7 . -1.179 -6.892 4.177 1.00 98.36 7 A 1 ATOM 60 C CG . HIS A 0 7 . 2.893 -7.955 5.562 1.00 98.36 7 A 1 ATOM 61 C CD2 . HIS A 0 7 . 3.847 -7.239 4.902 1.00 98.36 7 A 1 ATOM 62 N ND1 . HIS A 0 7 . 3.491 -9.023 6.229 1.00 98.36 7 A 1 ATOM 63 C CE1 . HIS A 0 7 . 4.799 -8.934 5.936 1.00 98.36 7 A 1 ATOM 64 N NE2 . HIS A 0 7 . 5.041 -7.868 5.159 1.00 98.36 7 A 1 ATOM 65 N N . HIS A 0 8 . -1.652 -8.959 4.921 1.00 98.52 8 A 1 ATOM 66 C CA . HIS A 0 8 . -3.089 -8.734 5.038 1.00 98.52 8 A 1 ATOM 67 C C . HIS A 0 8 . -3.469 -8.352 6.466 1.00 98.52 8 A 1 ATOM 68 C CB . HIS A 0 8 . -3.851 -9.963 4.541 1.00 98.52 8 A 1 ATOM 69 O O . HIS A 0 8 . -2.932 -8.886 7.441 1.00 98.52 8 A 1 ATOM 70 C CG . HIS A 0 8 . -3.505 -10.310 3.116 1.00 98.52 8 A 1 ATOM 71 C CD2 . HIS A 0 8 . -2.829 -11.418 2.682 1.00 98.52 8 A 1 ATOM 72 N ND1 . HIS A 0 8 . -3.755 -9.543 2.004 1.00 98.52 8 A 1 ATOM 73 C CE1 . HIS A 0 8 . -3.252 -10.167 0.933 1.00 98.52 8 A 1 ATOM 74 N NE2 . HIS A 0 8 . -2.680 -11.326 1.295 1.00 98.52 8 A 1 ATOM 75 N N . TRP A 0 9 . -4.405 -7.417 6.581 1.00 98.51 9 A 1 ATOM 76 C CA . TRP A 0 9 . -4.959 -6.982 7.854 1.00 98.51 9 A 1 ATOM 77 C C . TRP A 0 9 . -5.598 -8.143 8.618 1.00 98.51 9 A 1 ATOM 78 C CB . TRP A 0 9 . -5.983 -5.880 7.596 1.00 98.51 9 A 1 ATOM 79 O O . TRP A 0 9 . -6.344 -8.938 8.048 1.00 98.51 9 A 1 ATOM 80 C CG . TRP A 0 9 . -6.427 -5.170 8.823 1.00 98.51 9 A 1 ATOM 81 C CD1 . TRP A 0 9 . -7.547 -5.416 9.535 1.00 98.51 9 A 1 ATOM 82 C CD2 . TRP A 0 9 . -5.725 -4.105 9.518 1.00 98.51 9 A 1 ATOM 83 C CE2 . TRP A 0 9 . -6.492 -3.742 10.661 1.00 98.51 9 A 1 ATOM 84 C CE3 . TRP A 0 9 . -4.511 -3.422 9.295 1.00 98.51 9 A 1 ATOM 85 N NE1 . TRP A 0 9 . -7.587 -4.575 10.628 1.00 98.51 9 A 1 ATOM 86 C CH2 . TRP A 0 9 . -4.828 -2.133 11.341 1.00 98.51 9 A 1 ATOM 87 C CZ2 . TRP A 0 9 . -6.066 -2.759 11.557 1.00 98.51 9 A 1 ATOM 88 C CZ3 . TRP A 0 9 . -4.063 -2.447 10.204 1.00 98.51 9 A 1 ATOM 89 N N . ASN A 0 10 . -5.339 -8.220 9.924 1.00 97.88 10 A 1 ATOM 90 C CA . ASN A 0 10 . -5.912 -9.244 10.786 1.00 97.88 10 A 1 ATOM 91 C C . ASN A 0 10 . -6.855 -8.603 11.803 1.00 97.88 10 A 1 ATOM 92 C CB . ASN A 0 10 . -4.769 -10.042 11.430 1.00 97.88 10 A 1 ATOM 93 O O . ASN A 0 10 . -6.417 -8.121 12.845 1.00 97.88 10 A 1 ATOM 94 C CG . ASN A 0 10 . -5.275 -11.201 12.273 1.00 97.88 10 A 1 ATOM 95 N ND2 . ASN A 0 10 . -4.428 -12.165 12.540 1.00 97.88 10 A 1 ATOM 96 O OD1 . ASN A 0 10 . -6.417 -11.273 12.703 1.00 97.88 10 A 1 ATOM 97 N N . GLU A 0 11 . -8.162 -8.642 11.539 1.00 97.68 11 A 1 ATOM 98 C CA . GLU A 0 11 . -9.145 -7.985 12.410 1.00 97.68 11 A 1 ATOM 99 C C . GLU A 0 11 . -9.219 -8.569 13.826 1.00 97.68 11 A 1 ATOM 100 C CB . GLU A 0 11 . -10.545 -8.011 11.786 1.00 97.68 11 A 1 ATOM 101 O O . GLU A 0 11 . -9.576 -7.857 14.763 1.00 97.68 11 A 1 ATOM 102 C CG . GLU A 0 11 . -10.638 -7.178 10.502 1.00 97.68 11 A 1 ATOM 103 C CD . GLU A 0 11 . -12.089 -6.841 10.133 1.00 97.68 11 A 1 ATOM 104 O OE1 . GLU A 0 11 . -12.287 -5.717 9.610 1.00 97.68 11 A 1 ATOM 105 O OE2 . GLU A 0 11 . -12.987 -7.660 10.426 1.00 97.68 11 A 1 ATOM 106 N N . SER A 0 12 . -8.838 -9.837 14.013 1.00 97.65 12 A 1 ATOM 107 C CA . SER A 0 12 . -8.821 -10.460 15.345 1.00 97.65 12 A 1 ATOM 108 C C . SER A 0 12 . -7.691 -9.926 16.231 1.00 97.65 12 A 1 ATOM 109 C CB . SER A 0 12 . -8.686 -11.978 15.218 1.00 97.65 12 A 1 ATOM 110 O O . SER A 0 12 . -7.774 -10.025 17.452 1.00 97.65 12 A 1 ATOM 111 O OG . SER A 0 12 . -9.775 -12.503 14.485 1.00 97.65 12 A 1 ATOM 112 N N . VAL A 0 13 . -6.636 -9.372 15.625 1.00 96.93 13 A 1 ATOM 113 C CA . VAL A 0 13 . -5.456 -8.843 16.326 1.00 96.93 13 A 1 ATOM 114 C C . VAL A 0 13 . -5.461 -7.318 16.334 1.00 96.93 13 A 1 ATOM 115 C CB . VAL A 0 13 . -4.168 -9.389 15.677 1.00 96.93 13 A 1 ATOM 116 O O . VAL A 0 13 . -5.234 -6.696 17.369 1.00 96.93 13 A 1 ATOM 117 C CG1 . VAL A 0 13 . -2.900 -8.812 16.316 1.00 96.93 13 A 1 ATOM 118 C CG2 . VAL A 0 13 . -4.097 -10.918 15.805 1.00 96.93 13 A 1 ATOM 119 N N . ASP A 0 14 . -5.739 -6.716 15.182 1.00 97.53 14 A 1 ATOM 120 C CA . ASP A 0 14 . -5.593 -5.283 14.944 1.00 97.53 14 A 1 ATOM 121 C C . ASP A 0 14 . -6.931 -4.518 15.047 1.00 97.53 14 A 1 ATOM 122 C CB . ASP A 0 14 . -4.901 -5.088 13.586 1.00 97.53 14 A 1 ATOM 123 O O . ASP A 0 14 . -6.960 -3.287 14.960 1.00 97.53 14 A 1 ATOM 124 C CG . ASP A 0 14 . -3.522 -5.753 13.478 1.00 97.53 14 A 1 ATOM 125 O OD1 . ASP A 0 14 . -2.661 -5.522 14.358 1.00 97.53 14 A 1 ATOM 126 O OD2 . ASP A 0 14 . -3.210 -6.394 12.449 1.00 97.53 14 A 1 ATOM 127 N N . GLY A 0 15 . -8.043 -5.232 15.267 1.00 97.57 15 A 1 ATOM 128 C CA . GLY A 0 15 . -9.398 -4.681 15.291 1.00 97.57 15 A 1 ATOM 129 C C . GLY A 0 15 . -9.956 -4.401 13.893 1.00 97.57 15 A 1 ATOM 130 O O . GLY A 0 15 . -9.321 -4.696 12.881 1.00 97.57 15 A 1 ATOM 131 N N . GLN A 0 16 . -11.152 -3.806 13.825 1.00 98.38 16 A 1 ATOM 132 C CA . GLN A 0 16 . -11.788 -3.456 12.548 1.00 98.38 16 A 1 ATOM 133 C C . GLN A 0 16 . -10.842 -2.623 11.676 1.00 98.38 16 A 1 ATOM 134 C CB . GLN A 0 16 . -13.096 -2.687 12.803 1.00 98.38 16 A 1 ATOM 135 O O . GLN A 0 16 . -10.205 -1.684 12.173 1.00 98.38 16 A 1 ATOM 136 C CG . GLN A 0 16 . -13.835 -2.349 11.496 1.00 98.38 16 A 1 ATOM 137 C CD . GLN A 0 16 . -15.146 -1.614 11.739 1.00 98.38 16 A 1 ATOM 138 N NE2 . GLN A 0 16 . -16.246 -2.098 11.205 1.00 98.38 16 A 1 ATOM 139 O OE1 . GLN A 0 16 . -15.208 -0.591 12.403 1.00 98.38 16 A 1 ATOM 140 N N . LEU A 0 17 . -10.787 -2.925 10.378 1.00 98.61 17 A 1 ATOM 141 C CA . LEU A 0 17 . -10.019 -2.121 9.435 1.00 98.61 17 A 1 ATOM 142 C C . LEU A 0 17 . -10.582 -0.694 9.357 1.00 98.61 17 A 1 ATOM 143 C CB . LEU A 0 17 . -9.989 -2.809 8.067 1.00 98.61 17 A 1 ATOM 144 O O . LEU A 0 17 . -11.603 -0.419 8.728 1.00 98.61 17 A 1 ATOM 145 C CG . LEU A 0 17 . -9.219 -1.994 7.013 1.00 98.61 17 A 1 ATOM 146 C CD1 . LEU A 0 17 . -7.729 -1.846 7.331 1.00 98.61 17 A 1 ATOM 147 C CD2 . LEU A 0 17 . -9.361 -2.669 5.660 1.00 98.61 17 A 1 ATOM 148 N N . THR A 0 18 . -9.873 0.235 9.987 1.00 98.51 18 A 1 ATOM 149 C CA . THR A 0 18 . -10.144 1.670 9.938 1.00 98.51 18 A 1 ATOM 150 C C . THR A 0 18 . -8.835 2.422 9.748 1.00 98.51 18 A 1 ATOM 151 C CB . THR A 0 18 . -10.860 2.176 11.203 1.00 98.51 18 A 1 ATOM 152 O O . THR A 0 18 . -7.754 1.917 10.060 1.00 98.51 18 A 1 ATOM 153 C CG2 . THR A 0 18 . -12.154 1.431 11.524 1.00 98.51 18 A 1 ATOM 154 O OG1 . THR A 0 18 . -10.014 2.084 12.324 1.00 98.51 18 A 1 ATOM 155 N N . LEU A 0 19 . -8.915 3.666 9.269 1.00 98.58 19 A 1 ATOM 156 C CA . LEU A 0 19 . -7.735 4.527 9.160 1.00 98.58 19 A 1 ATOM 157 C C . LEU A 0 19 . -7.048 4.728 10.520 1.00 98.58 19 A 1 ATOM 158 C CB . LEU A 0 19 . -8.174 5.874 8.561 1.00 98.58 19 A 1 ATOM 159 O O . LEU A 0 19 . -5.823 4.795 10.591 1.00 98.58 19 A 1 ATOM 160 C CG . LEU A 0 19 . -7.035 6.894 8.390 1.00 98.58 19 A 1 ATOM 161 C CD1 . LEU A 0 19 . -5.919 6.383 7.481 1.00 98.58 19 A 1 ATOM 162 C CD2 . LEU A 0 19 . -7.617 8.167 7.773 1.00 98.58 19 A 1 ATOM 163 N N . GLU A 0 20 . -7.833 4.825 11.593 1.00 98.43 20 A 1 ATOM 164 C CA . GLU A 0 20 . -7.322 4.984 12.952 1.00 98.43 20 A 1 ATOM 165 C C . GLU A 0 20 . -6.524 3.756 13.398 1.00 98.43 20 A 1 ATOM 166 C CB . GLU A 0 20 . -8.496 5.270 13.894 1.00 98.43 20 A 1 ATOM 167 O O . GLU A 0 20 . -5.373 3.900 13.816 1.00 98.43 20 A 1 ATOM 168 C CG . GLU A 0 20 . -8.013 5.543 15.325 1.00 98.43 20 A 1 ATOM 169 C CD . GLU A 0 20 . -9.154 5.876 16.295 1.00 98.43 20 A 1 ATOM 170 O OE1 . GLU A 0 20 . -8.843 5.962 17.504 1.00 98.43 20 A 1 ATOM 171 O OE2 . GLU A 0 20 . -10.292 6.088 15.821 1.00 98.43 20 A 1 ATOM 172 N N . ASN A 0 21 . -7.086 2.553 13.241 1.00 98.64 21 A 1 ATOM 173 C CA . ASN A 0 21 . -6.402 1.321 13.628 1.00 98.64 21 A 1 ATOM 174 C C . ASN A 0 21 . -5.167 1.063 12.757 1.00 98.64 21 A 1 ATOM 175 C CB . ASN A 0 21 . -7.390 0.144 13.615 1.00 98.64 21 A 1 ATOM 176 O O . ASN A 0 21 . -4.116 0.716 13.296 1.00 98.64 21 A 1 ATOM 177 C CG . ASN A 0 21 . -8.388 0.194 14.757 1.00 98.64 21 A 1 ATOM 178 N ND2 . ASN A 0 21 . -9.506 -0.475 14.622 1.00 98.64 21 A 1 ATOM 179 O OD1 . ASN A 0 21 . -8.185 0.833 15.778 1.00 98.64 21 A 1 ATOM 180 N N . MET A 0 22 . -5.240 1.323 11.444 1.00 98.66 22 A 1 ATOM 181 C CA . MET A 0 22 . -4.087 1.232 10.536 1.00 98.66 22 A 1 ATOM 182 C C . MET A 0 22 . -2.936 2.129 11.006 1.00 98.66 22 A 1 ATOM 183 C CB . MET A 0 22 . -4.531 1.587 9.106 1.00 98.66 22 A 1 ATOM 184 O O . MET A 0 22 . -1.803 1.675 11.155 1.00 98.66 22 A 1 ATOM 185 C CG . MET A 0 22 . -3.406 1.451 8.071 1.00 98.66 22 A 1 ATOM 186 S SD . MET A 0 22 . -2.838 -0.239 7.749 1.00 98.66 22 A 1 ATOM 187 C CE . MET A 0 22 . -4.201 -0.846 6.714 1.00 98.66 22 A 1 ATOM 188 N N . LEU A 0 23 . -3.225 3.396 11.320 1.00 98.45 23 A 1 ATOM 189 C CA . LEU A 0 23 . -2.221 4.320 11.846 1.00 98.45 23 A 1 ATOM 190 C C . LEU A 0 23 . -1.678 3.887 13.207 1.00 98.45 23 A 1 ATOM 191 C CB . LEU A 0 23 . -2.830 5.718 11.989 1.00 98.45 23 A 1 ATOM 192 O O . LEU A 0 23 . -0.485 4.042 13.459 1.00 98.45 23 A 1 ATOM 193 C CG . LEU A 0 23 . -3.001 6.492 10.678 1.00 98.45 23 A 1 ATOM 194 C CD1 . LEU A 0 23 . -3.727 7.793 11.030 1.00 98.45 23 A 1 ATOM 195 C CD2 . LEU A 0 23 . -1.660 6.854 10.033 1.00 98.45 23 A 1 ATOM 196 N N . LYS A 0 24 . -2.534 3.382 14.100 1.00 97.92 24 A 1 ATOM 197 C CA . LYS A 0 24 . -2.114 2.887 15.415 1.00 97.92 24 A 1 ATOM 198 C C . LYS A 0 24 . -1.126 1.731 15.264 1.00 97.92 24 A 1 ATOM 199 C CB . LYS A 0 24 . -3.358 2.489 16.217 1.00 97.92 24 A 1 ATOM 200 O O . LYS A 0 24 . -0.077 1.758 15.907 1.00 97.92 24 A 1 ATOM 201 C CG . LYS A 0 24 . -3.016 2.044 17.645 1.00 97.92 24 A 1 ATOM 202 C CD . LYS A 0 24 . -4.295 1.611 18.365 1.00 97.92 24 A 1 ATOM 203 C CE . LYS A 0 24 . -3.977 1.097 19.771 1.00 97.92 24 A 1 ATOM 204 N NZ . LYS A 0 24 . -5.202 0.575 20.423 1.00 97.92 24 A 1 ATOM 205 N N . LYS A 0 25 . -1.426 0.775 14.379 1.00 97.75 25 A 1 ATOM 206 C CA . LYS A 0 25 . -0.551 -0.356 14.061 1.00 97.75 25 A 1 ATOM 207 C C . LYS A 0 25 . 0.797 0.119 13.521 1.00 97.75 25 A 1 ATOM 208 C CB . LYS A 0 25 . -1.272 -1.297 13.084 1.00 97.75 25 A 1 ATOM 209 O O . LYS A 0 25 . 1.820 -0.157 14.139 1.00 97.75 25 A 1 ATOM 210 C CG . LYS A 0 25 . -0.432 -2.549 12.807 1.00 97.75 25 A 1 ATOM 211 C CD . LYS A 0 25 . -1.166 -3.486 11.844 1.00 97.75 25 A 1 ATOM 212 C CE . LYS A 0 25 . -0.411 -4.799 11.642 1.00 97.75 25 A 1 ATOM 213 N NZ . LYS A 0 25 . -0.358 -5.603 12.876 1.00 97.75 25 A 1 ATOM 214 N N . LEU A 0 26 . 0.799 0.917 12.454 1.00 97.46 26 A 1 ATOM 215 C CA . LEU A 0 26 . 2.033 1.392 11.815 1.00 97.46 26 A 1 ATOM 216 C C . LEU A 0 26 . 2.903 2.231 12.767 1.00 97.46 26 A 1 ATOM 217 C CB . LEU A 0 26 . 1.652 2.198 10.564 1.00 97.46 26 A 1 ATOM 218 O O . LEU A 0 26 . 4.120 2.078 12.803 1.00 97.46 26 A 1 ATOM 219 C CG . LEU A 0 26 . 1.032 1.354 9.435 1.00 97.46 26 A 1 ATOM 220 C CD1 . LEU A 0 26 . 0.376 2.283 8.415 1.00 97.46 26 A 1 ATOM 221 C CD2 . LEU A 0 26 . 2.078 0.491 8.733 1.00 97.46 26 A 1 ATOM 222 N N . LYS A 0 27 . 2.293 3.069 13.614 1.00 95.93 27 A 1 ATOM 223 C CA . LYS A 0 27 . 3.026 3.801 14.661 1.00 95.93 27 A 1 ATOM 224 C C . LYS A 0 27 . 3.637 2.869 15.706 1.00 95.93 27 A 1 ATOM 225 C CB . LYS A 0 27 . 2.107 4.808 15.351 1.00 95.93 27 A 1 ATOM 226 O O . LYS A 0 27 . 4.761 3.113 16.132 1.00 95.93 27 A 1 ATOM 227 C CG . LYS A 0 27 . 1.824 6.028 14.469 1.00 95.93 27 A 1 ATOM 228 C CD . LYS A 0 27 . 0.811 6.918 15.190 1.00 95.93 27 A 1 ATOM 229 C CE . LYS A 0 27 . 0.495 8.150 14.347 1.00 95.93 27 A 1 ATOM 230 N NZ . LYS A 0 27 . -0.420 9.057 15.081 1.00 95.93 27 A 1 ATOM 231 N N . SER A 0 28 . 2.924 1.816 16.117 1.00 95.62 28 A 1 ATOM 232 C CA . SER A 0 28 . 3.463 0.812 17.048 1.00 95.62 28 A 1 ATOM 233 C C . SER A 0 28 . 4.615 0.001 16.441 1.00 95.62 28 A 1 ATOM 234 C CB . SER A 0 28 . 2.350 -0.105 17.567 1.00 95.62 28 A 1 ATOM 235 O O . SER A 0 28 . 5.509 -0.426 17.164 1.00 95.62 28 A 1 ATOM 236 O OG . SER A 0 28 . 1.920 -1.069 16.627 1.00 95.62 28 A 1 ATOM 237 N N . GLU A 0 29 . 4.636 -0.131 15.112 1.00 95.11 29 A 1 ATOM 238 C CA . GLU A 0 29 . 5.723 -0.728 14.325 1.00 95.11 29 A 1 ATOM 239 C C . GLU A 0 29 . 6.891 0.261 14.078 1.00 95.11 29 A 1 ATOM 240 C CB . GLU A 0 29 . 5.136 -1.290 13.007 1.00 95.11 29 A 1 ATOM 241 O O . GLU A 0 29 . 7.898 -0.100 13.469 1.00 95.11 29 A 1 ATOM 242 C CG . GLU A 0 29 . 4.161 -2.478 13.208 1.00 95.11 29 A 1 ATOM 243 C CD . GLU A 0 29 . 3.375 -2.890 11.939 1.00 95.11 29 A 1 ATOM 244 O OE1 . GLU A 0 29 . 2.671 -3.933 11.945 1.00 95.11 29 A 1 ATOM 245 O OE2 . GLU A 0 29 . 3.372 -2.157 10.930 1.00 95.11 29 A 1 ATOM 246 N N . GLY A 0 30 . 6.795 1.504 14.574 1.00 94.52 30 A 1 ATOM 247 C CA . GLY A 0 30 . 7.840 2.528 14.469 1.00 94.52 30 A 1 ATOM 248 C C . GLY A 0 30 . 7.858 3.297 13.142 1.00 94.52 30 A 1 ATOM 249 O O . GLY A 0 30 . 8.850 3.957 12.832 1.00 94.52 30 A 1 ATOM 250 N N . CYS A 0 31 . 6.789 3.229 12.346 1.00 96.27 31 A 1 ATOM 251 C CA . CYS A 0 31 . 6.710 3.917 11.059 1.00 96.27 31 A 1 ATOM 252 C C . CYS A 0 31 . 6.327 5.399 11.194 1.00 96.27 31 A 1 ATOM 253 C CB . CYS A 0 31 . 5.728 3.195 10.130 1.00 96.27 31 A 1 ATOM 254 O O . CYS A 0 31 . 5.423 5.781 11.944 1.00 96.27 31 A 1 ATOM 255 S SG . CYS A 0 31 . 6.296 1.507 9.782 1.00 96.27 31 A 1 ATOM 256 N N . SER A 0 32 . 6.950 6.234 10.363 1.00 96.73 32 A 1 ATOM 257 C CA . SER A 0 32 . 6.411 7.543 9.990 1.00 96.73 32 A 1 ATOM 258 C C . SER A 0 32 . 5.299 7.333 8.969 1.00 96.73 32 A 1 ATOM 259 C CB . SER A 0 32 . 7.511 8.423 9.398 1.00 96.73 32 A 1 ATOM 260 O O . SER A 0 32 . 5.462 6.539 8.053 1.00 96.73 32 A 1 ATOM 261 O OG . SER A 0 32 . 8.448 8.715 10.418 1.00 96.73 32 A 1 ATOM 262 N N . CYS A 0 33 . 4.162 8.006 9.134 1.00 97.79 33 A 1 ATOM 263 C CA . CYS A 0 33 . 2.963 7.739 8.338 1.00 97.79 33 A 1 ATOM 264 C C . CYS A 0 33 . 2.435 9.020 7.692 1.00 97.79 33 A 1 ATOM 265 C CB . CYS A 0 33 . 1.880 7.144 9.247 1.00 97.79 33 A 1 ATOM 266 O O . CYS A 0 33 . 2.160 9.994 8.401 1.00 97.79 33 A 1 ATOM 267 S SG . CYS A 0 33 . 2.391 5.571 9.991 1.00 97.79 33 A 1 ATOM 268 N N . ILE A 0 34 . 2.191 8.984 6.385 1.00 97.68 34 A 1 ATOM 269 C CA . ILE A 0 34 . 1.486 10.031 5.646 1.00 97.68 34 A 1 ATOM 270 C C . ILE A 0 34 . 0.203 9.438 5.071 1.00 97.68 34 A 1 ATOM 271 C CB . ILE A 0 34 . 2.371 10.684 4.564 1.00 97.68 34 A 1 ATOM 272 O O . ILE A 0 34 . 0.185 8.352 4.505 1.00 97.68 34 A 1 ATOM 273 C CG1 . ILE A 0 34 . 3.700 11.188 5.176 1.00 97.68 34 A 1 ATOM 274 C CG2 . ILE A 0 34 . 1.590 11.851 3.926 1.00 97.68 34 A 1 ATOM 275 C CD1 . ILE A 0 34 . 4.674 11.798 4.162 1.00 97.68 34 A 1 ATOM 276 N N . LYS A 0 35 . -0.905 10.153 5.251 1.00 98.25 35 A 1 ATOM 277 C CA . LYS A 0 35 . -2.218 9.733 4.763 1.00 98.25 35 A 1 ATOM 278 C C . LYS A 0 35 . -2.505 10.386 3.429 1.00 98.25 35 A 1 ATOM 279 C CB . LYS A 0 35 . -3.310 10.149 5.740 1.00 98.25 35 A 1 ATOM 280 O O . LYS A 0 35 . -2.332 11.596 3.296 1.00 98.25 35 A 1 ATOM 281 C CG . LYS A 0 35 . -3.213 9.462 7.100 1.00 98.25 35 A 1 ATOM 282 C CD . LYS A 0 35 . -4.293 10.063 8.010 1.00 98.25 35 A 1 ATOM 283 C CE . LYS A 0 35 . -3.713 11.213 8.839 1.00 98.25 35 A 1 ATOM 284 N NZ . LYS A 0 35 . -4.729 11.775 9.762 1.00 98.25 35 A 1 ATOM 285 N N . TYR A 0 36 . -3.103 9.625 2.529 1.00 98.49 36 A 1 ATOM 286 C CA . TYR A 0 36 . -3.556 10.138 1.250 1.00 98.49 36 A 1 ATOM 287 C C . TYR A 0 36 . -4.959 9.648 0.923 1.00 98.49 36 A 1 ATOM 288 C CB . TYR A 0 36 . -2.569 9.701 0.181 1.00 98.49 36 A 1 ATOM 289 O O . TYR A 0 36 . -5.404 8.581 1.354 1.00 98.49 36 A 1 ATOM 290 C CG . TYR A 0 36 . -1.199 10.336 0.288 1.00 98.49 36 A 1 ATOM 291 C CD1 . TYR A 0 36 . -1.021 11.677 -0.106 1.00 98.49 36 A 1 ATOM 292 C CD2 . TYR A 0 36 . -0.107 9.591 0.776 1.00 98.49 36 A 1 ATOM 293 C CE1 . TYR A 0 36 . 0.249 12.276 -0.013 1.00 98.49 36 A 1 ATOM 294 C CE2 . TYR A 0 36 . 1.164 10.188 0.865 1.00 98.49 36 A 1 ATOM 295 O OH . TYR A 0 36 . 2.572 12.102 0.560 1.00 98.49 36 A 1 ATOM 296 C CZ . TYR A 0 36 . 1.345 11.529 0.471 1.00 98.49 36 A 1 ATOM 297 N N . LYS A 0 37 . -5.650 10.457 0.122 1.00 98.70 37 A 1 ATOM 298 C CA . LYS A 0 37 . -6.904 10.094 -0.518 1.00 98.70 37 A 1 ATOM 299 C C . LYS A 0 37 . -6.836 10.496 -1.982 1.00 98.70 37 A 1 ATOM 300 C CB . LYS A 0 37 . -8.084 10.734 0.222 1.00 98.70 37 A 1 ATOM 301 O O . LYS A 0 37 . -6.592 11.663 -2.277 1.00 98.70 37 A 1 ATOM 302 C CG . LYS A 0 37 . -9.428 10.324 -0.399 1.00 98.70 37 A 1 ATOM 303 C CD . LYS A 0 37 . -10.588 10.901 0.416 1.00 98.70 37 A 1 ATOM 304 C CE . LYS A 0 37 . -11.919 10.451 -0.191 1.00 98.70 37 A 1 ATOM 305 N NZ . LYS A 0 37 . -13.072 11.008 0.561 1.00 98.70 37 A 1 ATOM 306 N N . PHE A 0 38 . -7.092 9.551 -2.873 1.00 98.73 38 A 1 ATOM 307 C CA . PHE A 0 38 . -7.046 9.766 -4.316 1.00 98.73 38 A 1 ATOM 308 C C . PHE A 0 38 . -8.366 9.375 -4.967 1.00 98.73 38 A 1 ATOM 309 C CB . PHE A 0 38 . -5.862 9.003 -4.908 1.00 98.73 38 A 1 ATOM 310 O O . PHE A 0 38 . -9.084 8.500 -4.479 1.00 98.73 38 A 1 ATOM 311 C CG . PHE A 0 38 . -4.509 9.464 -4.404 1.00 98.73 38 A 1 ATOM 312 C CD1 . PHE A 0 38 . -4.115 10.809 -4.553 1.00 98.73 38 A 1 ATOM 313 C CD2 . PHE A 0 38 . -3.600 8.531 -3.873 1.00 98.73 38 A 1 ATOM 314 C CE1 . PHE A 0 38 . -2.835 11.226 -4.148 1.00 98.73 38 A 1 ATOM 315 C CE2 . PHE A 0 38 . -2.294 8.942 -3.556 1.00 98.73 38 A 1 ATOM 316 C CZ . PHE A 0 38 . -1.921 10.290 -3.646 1.00 98.73 38 A 1 ATOM 317 N N . THR A 0 39 . -8.719 10.045 -6.059 1.00 98.60 39 A 1 ATOM 318 C CA . THR A 0 39 . -9.948 9.748 -6.797 1.00 98.60 39 A 1 ATOM 319 C C . THR A 0 39 . -9.750 8.544 -7.722 1.00 98.60 39 A 1 ATOM 320 C CB . THR A 0 39 . -10.442 10.972 -7.581 1.00 98.60 39 A 1 ATOM 321 O O . THR A 0 39 . -8.623 8.254 -8.127 1.00 98.60 39 A 1 ATOM 322 C CG2 . THR A 0 39 . -10.902 12.081 -6.631 1.00 98.60 39 A 1 ATOM 323 O OG1 . THR A 0 39 . -9.420 11.494 -8.395 1.00 98.60 39 A 1 ATOM 324 N N . PRO A 0 40 . -10.827 7.837 -8.104 1.00 98.61 40 A 1 ATOM 325 C CA . PRO A 0 40 . -10.760 6.816 -9.145 1.00 98.61 40 A 1 ATOM 326 C C . PRO A 0 40 . -10.064 7.320 -10.413 1.00 98.61 40 A 1 ATOM 327 C CB . PRO A 0 40 . -12.209 6.431 -9.430 1.00 98.61 40 A 1 ATOM 328 O O . PRO A 0 40 . -10.298 8.449 -10.842 1.00 98.61 40 A 1 ATOM 329 C CG . PRO A 0 40 . -12.903 6.705 -8.102 1.00 98.61 40 A 1 ATOM 330 C CD . PRO A 0 40 . -12.184 7.948 -7.591 1.00 98.61 40 A 1 ATOM 331 N N . GLY A 0 41 . -9.207 6.488 -11.005 1.00 97.89 41 A 1 ATOM 332 C CA . GLY A 0 41 . -8.461 6.829 -12.215 1.00 97.89 41 A 1 ATOM 333 C C . GLY A 0 41 . -7.206 7.677 -11.994 1.00 97.89 41 A 1 ATOM 334 O O . GLY A 0 41 . -6.481 7.904 -12.959 1.00 97.89 41 A 1 ATOM 335 N N . THR A 0 42 . -6.897 8.117 -10.764 1.00 98.74 42 A 1 ATOM 336 C CA . THR A 0 42 . -5.589 8.729 -10.479 1.00 98.74 42 A 1 ATOM 337 C C . THR A 0 42 . -4.474 7.752 -10.850 1.00 98.74 42 A 1 ATOM 338 C CB . THR A 0 42 . -5.441 9.156 -9.010 1.00 98.74 42 A 1 ATOM 339 O O . THR A 0 42 . -4.487 6.596 -10.429 1.00 98.74 42 A 1 ATOM 340 C CG2 . THR A 0 42 . -4.110 9.858 -8.741 1.00 98.74 42 A 1 ATOM 341 O OG1 . THR A 0 42 . -6.443 10.087 -8.668 1.00 98.74 42 A 1 ATOM 342 N N . ASN A 0 43 . -3.518 8.225 -11.646 1.00 98.53 43 A 1 ATOM 343 C CA . ASN A 0 43 . -2.399 7.440 -12.145 1.00 98.53 43 A 1 ATOM 344 C C . ASN A 0 43 . -1.085 7.992 -11.591 1.00 98.53 43 A 1 ATOM 345 C CB . ASN A 0 43 . -2.443 7.452 -13.679 1.00 98.53 43 A 1 ATOM 346 O O . ASN A 0 43 . -0.834 9.193 -11.674 1.00 98.53 43 A 1 ATOM 347 C CG . ASN A 0 43 . -1.402 6.522 -14.267 1.00 98.53 43 A 1 ATOM 348 N ND2 . ASN A 0 43 . -0.246 7.022 -14.636 1.00 98.53 43 A 1 ATOM 349 O OD1 . ASN A 0 43 . -1.624 5.331 -14.385 1.00 98.53 43 A 1 ATOM 350 N N . PHE A 0 44 . -0.245 7.098 -11.090 1.00 98.55 44 A 1 ATOM 351 C CA . PHE A 0 44 . 1.109 7.350 -10.624 1.00 98.55 44 A 1 ATOM 352 C C . PHE A 0 44 . 2.065 6.716 -11.637 1.00 98.55 44 A 1 ATOM 353 C CB . PHE A 0 44 . 1.290 6.771 -9.214 1.00 98.55 44 A 1 ATOM 354 O O . PHE A 0 44 . 2.156 5.486 -11.692 1.00 98.55 44 A 1 ATOM 355 C CG . PHE A 0 44 . 0.288 7.334 -8.234 1.00 98.55 44 A 1 ATOM 356 C CD1 . PHE A 0 44 . 0.524 8.588 -7.644 1.00 98.55 44 A 1 ATOM 357 C CD2 . PHE A 0 44 . -0.920 6.652 -7.993 1.00 98.55 44 A 1 ATOM 358 C CE1 . PHE A 0 44 . -0.469 9.184 -6.852 1.00 98.55 44 A 1 ATOM 359 C CE2 . PHE A 0 44 . -1.911 7.246 -7.197 1.00 98.55 44 A 1 ATOM 360 C CZ . PHE A 0 44 . -1.691 8.523 -6.659 1.00 98.55 44 A 1 ATOM 361 N N . PRO A 0 45 . 2.731 7.524 -12.485 1.00 98.44 45 A 1 ATOM 362 C CA . PRO A 0 45 . 3.732 7.028 -13.424 1.00 98.44 45 A 1 ATOM 363 C C . PRO A 0 45 . 4.864 6.276 -12.723 1.00 98.44 45 A 1 ATOM 364 C CB . PRO A 0 45 . 4.262 8.262 -14.161 1.00 98.44 45 A 1 ATOM 365 O O . PRO A 0 45 . 5.014 6.361 -11.505 1.00 98.44 45 A 1 ATOM 366 C CG . PRO A 0 45 . 3.128 9.275 -14.024 1.00 98.44 45 A 1 ATOM 367 C CD . PRO A 0 45 . 2.567 8.961 -12.642 1.00 98.44 45 A 1 ATOM 368 N N . GLU A 0 46 . 5.672 5.556 -13.500 1.00 98.69 46 A 1 ATOM 369 C CA . GLU A 0 46 . 6.821 4.841 -12.951 1.00 98.69 46 A 1 ATOM 370 C C . GLU A 0 46 . 7.811 5.797 -12.278 1.00 98.69 46 A 1 ATOM 371 C CB . GLU A 0 46 . 7.493 3.976 -14.022 1.00 98.69 46 A 1 ATOM 372 O O . GLU A 0 46 . 8.179 6.831 -12.839 1.00 98.69 46 A 1 ATOM 373 C CG . GLU A 0 46 . 8.566 3.069 -13.403 1.00 98.69 46 A 1 ATOM 374 C CD . GLU A 0 46 . 9.144 2.120 -14.453 1.00 98.69 46 A 1 ATOM 375 O OE1 . GLU A 0 46 . 10.079 2.543 -15.167 1.00 98.69 46 A 1 ATOM 376 O OE2 . GLU A 0 46 . 8.634 0.979 -14.535 1.00 98.69 46 A 1 ATOM 377 N N . HIS A 0 47 . 8.218 5.452 -11.060 1.00 98.34 47 A 1 ATOM 378 C CA . HIS A 0 47 . 9.182 6.205 -10.270 1.00 98.34 47 A 1 ATOM 379 C C . HIS A 0 47 . 9.875 5.302 -9.242 1.00 98.34 47 A 1 ATOM 380 C CB . HIS A 0 47 . 8.476 7.395 -9.597 1.00 98.34 47 A 1 ATOM 381 O O . HIS A 0 47 . 9.585 4.111 -9.122 1.00 98.34 47 A 1 ATOM 382 C CG . HIS A 0 47 . 7.388 7.010 -8.628 1.00 98.34 47 A 1 ATOM 383 C CD2 . HIS A 0 47 . 7.432 7.099 -7.264 1.00 98.34 47 A 1 ATOM 384 N ND1 . HIS A 0 47 . 6.143 6.533 -8.959 1.00 98.34 47 A 1 ATOM 385 C CE1 . HIS A 0 47 . 5.456 6.330 -7.827 1.00 98.34 47 A 1 ATOM 386 N NE2 . HIS A 0 47 . 6.184 6.706 -6.770 1.00 98.34 47 A 1 ATOM 387 N N . THR A 0 48 . 10.813 5.885 -8.498 1.00 97.82 48 A 1 ATOM 388 C CA . THR A 0 48 . 11.549 5.238 -7.409 1.00 97.82 48 A 1 ATOM 389 C C . THR A 0 48 . 11.582 6.144 -6.182 1.00 97.82 48 A 1 ATOM 390 C CB . THR A 0 48 . 12.996 4.915 -7.819 1.00 97.82 48 A 1 ATOM 391 O O . THR A 0 48 . 11.543 7.368 -6.313 1.00 97.82 48 A 1 ATOM 392 C CG2 . THR A 0 48 . 13.079 3.910 -8.962 1.00 97.82 48 A 1 ATOM 393 O OG1 . THR A 0 48 . 13.678 6.076 -8.238 1.00 97.82 48 A 1 ATOM 394 N N . HIS A 0 49 . 11.751 5.547 -5.005 1.00 93.67 49 A 1 ATOM 395 C CA . HIS A 0 49 . 12.072 6.245 -3.758 1.00 93.67 49 A 1 ATOM 396 C C . HIS A 0 49 . 13.404 5.725 -3.206 1.00 93.67 49 A 1 ATOM 397 C CB . HIS A 0 49 . 10.939 6.042 -2.748 1.00 93.67 49 A 1 ATOM 398 O O . HIS A 0 49 . 13.755 4.575 -3.451 1.00 93.67 49 A 1 ATOM 399 C CG . HIS A 0 49 . 9.583 6.464 -3.256 1.00 93.67 49 A 1 ATOM 400 C CD2 . HIS A 0 49 . 8.478 5.667 -3.364 1.00 93.67 49 A 1 ATOM 401 N ND1 . HIS A 0 49 . 9.208 7.731 -3.639 1.00 93.67 49 A 1 ATOM 402 C CE1 . HIS A 0 49 . 7.901 7.698 -3.952 1.00 93.67 49 A 1 ATOM 403 N NE2 . HIS A 0 49 . 7.408 6.461 -3.782 1.00 93.67 49 A 1 ATOM 404 N N . ASP A 0 50 . 14.145 6.542 -2.465 1.00 95.00 50 A 1 ATOM 405 C CA . ASP A 0 50 . 15.420 6.177 -1.827 1.00 95.00 50 A 1 ATOM 406 C C . ASP A 0 50 . 15.250 5.480 -0.459 1.00 95.00 50 A 1 ATOM 407 C CB . ASP A 0 50 . 16.308 7.430 -1.729 1.00 95.00 50 A 1 ATOM 408 O O . ASP A 0 50 . 16.210 4.934 0.106 1.00 95.00 50 A 1 ATOM 409 C CG . ASP A 0 50 . 15.701 8.603 -0.943 1.00 95.00 50 A 1 ATOM 410 O OD1 . ASP A 0 50 . 14.473 8.585 -0.693 1.00 95.00 50 A 1 ATOM 411 O OD2 . ASP A 0 50 . 16.474 9.545 -0.668 1.00 95.00 50 A 1 ATOM 412 N N . GLU A 0 51 . 14.013 5.422 0.033 1.00 94.52 51 A 1 ATOM 413 C CA . GLU A 0 51 . 13.601 4.745 1.260 1.00 94.52 51 A 1 ATOM 414 C C . GLU A 0 51 . 12.702 3.533 0.978 1.00 94.52 51 A 1 ATOM 415 C CB . GLU A 0 51 . 12.900 5.727 2.211 1.00 94.52 51 A 1 ATOM 416 O O . GLU A 0 51 . 11.984 3.479 -0.020 1.00 94.52 51 A 1 ATOM 417 C CG . GLU A 0 51 . 13.811 6.887 2.650 1.00 94.52 51 A 1 ATOM 418 C CD . GLU A 0 51 . 13.192 7.776 3.748 1.00 94.52 51 A 1 ATOM 419 O OE1 . GLU A 0 51 . 13.945 8.599 4.317 1.00 94.52 51 A 1 ATOM 420 O OE2 . GLU A 0 51 . 12.002 7.589 4.107 1.00 94.52 51 A 1 ATOM 421 N N . ASP A 0 52 . 12.750 2.551 1.884 1.00 95.78 52 A 1 ATOM 422 C CA . ASP A 0 52 . 11.801 1.438 1.878 1.00 95.78 52 A 1 ATOM 423 C C . ASP A 0 52 . 10.482 1.922 2.485 1.00 95.78 52 A 1 ATOM 424 C CB . ASP A 0 52 . 12.329 0.232 2.677 1.00 95.78 52 A 1 ATOM 425 O O . ASP A 0 52 . 10.487 2.577 3.538 1.00 95.78 52 A 1 ATOM 426 C CG . ASP A 0 52 . 13.750 -0.190 2.300 1.00 95.78 52 A 1 ATOM 427 O OD1 . ASP A 0 52 . 14.045 -0.374 1.101 1.00 95.78 52 A 1 ATOM 428 O OD2 . ASP A 0 52 . 14.614 -0.252 3.214 1.00 95.78 52 A 1 ATOM 429 N N . LYS A 0 53 . 9.360 1.559 1.865 1.00 96.48 53 A 1 ATOM 430 C CA . LYS A 0 53 . 8.033 1.954 2.340 1.00 96.48 53 A 1 ATOM 431 C C . LYS A 0 53 . 7.036 0.799 2.368 1.00 96.48 53 A 1 ATOM 432 C CB . LYS A 0 53 . 7.533 3.172 1.542 1.00 96.48 53 A 1 ATOM 433 O O . LYS A 0 53 . 7.257 -0.263 1.785 1.00 96.48 53 A 1 ATOM 434 C CG . LYS A 0 53 . 7.121 2.835 0.108 1.00 96.48 53 A 1 ATOM 435 C CD . LYS A 0 53 . 6.539 4.058 -0.594 1.00 96.48 53 A 1 ATOM 436 C CE . LYS A 0 53 . 5.878 3.638 -1.905 1.00 96.48 53 A 1 ATOM 437 N NZ . LYS A 0 53 . 5.114 4.766 -2.465 1.00 96.48 53 A 1 ATOM 438 N N . LEU A 0 54 . 5.930 1.039 3.062 1.00 98.22 54 A 1 ATOM 439 C CA . LEU A 0 54 . 4.726 0.226 3.070 1.00 98.22 54 A 1 ATOM 440 C C . LEU A 0 54 . 3.561 1.055 2.525 1.00 98.22 54 A 1 ATOM 441 C CB . LEU A 0 54 . 4.422 -0.249 4.501 1.00 98.22 54 A 1 ATOM 442 O O . LEU A 0 54 . 3.157 2.033 3.157 1.00 98.22 54 A 1 ATOM 443 C CG . LEU A 0 54 . 5.305 -1.385 5.032 1.00 98.22 54 A 1 ATOM 444 C CD1 . LEU A 0 54 . 5.070 -1.542 6.536 1.00 98.22 54 A 1 ATOM 445 C CD2 . LEU A 0 54 . 4.944 -2.717 4.377 1.00 98.22 54 A 1 ATOM 446 N N . ASP A 0 55 . 2.976 0.620 1.412 1.00 98.56 55 A 1 ATOM 447 C CA . ASP A 0 55 . 1.731 1.196 0.900 1.00 98.56 55 A 1 ATOM 448 C C . ASP A 0 55 . 0.547 0.411 1.484 1.00 98.56 55 A 1 ATOM 449 C CB . ASP A 0 55 . 1.730 1.240 -0.641 1.00 98.56 55 A 1 ATOM 450 O O . ASP A 0 55 . 0.328 -0.757 1.158 1.00 98.56 55 A 1 ATOM 451 C CG . ASP A 0 55 . 2.607 2.358 -1.235 1.00 98.56 55 A 1 ATOM 452 O OD1 . ASP A 0 55 . 3.035 3.266 -0.492 1.00 98.56 55 A 1 ATOM 453 O OD2 . ASP A 0 55 . 2.829 2.357 -2.465 1.00 98.56 55 A 1 ATOM 454 N N . CYS A 0 56 . -0.196 1.043 2.398 1.00 98.81 56 A 1 ATOM 455 C CA . CYS A 0 56 . -1.201 0.383 3.236 1.00 98.81 56 A 1 ATOM 456 C C . CYS A 0 56 . -2.623 0.841 2.899 1.00 98.81 56 A 1 ATOM 457 C CB . CYS A 0 56 . -0.890 0.682 4.706 1.00 98.81 56 A 1 ATOM 458 O O . CYS A 0 56 . -3.012 1.963 3.239 1.00 98.81 56 A 1 ATOM 459 S SG . CYS A 0 56 . 0.785 0.164 5.157 1.00 98.81 56 A 1 ATOM 460 N N . ILE A 0 57 . -3.426 -0.017 2.274 1.00 98.85 57 A 1 ATOM 461 C CA . ILE A 0 57 . -4.758 0.340 1.781 1.00 98.85 57 A 1 ATOM 462 C C . ILE A 0 57 . -5.792 0.263 2.908 1.00 98.85 57 A 1 ATOM 463 C CB . ILE A 0 57 . -5.158 -0.551 0.592 1.00 98.85 57 A 1 ATOM 464 O O . ILE A 0 57 . -5.960 -0.759 3.568 1.00 98.85 57 A 1 ATOM 465 C CG1 . ILE A 0 57 . -4.081 -0.681 -0.509 1.00 98.85 57 A 1 ATOM 466 C CG2 . ILE A 0 57 . -6.489 -0.072 -0.028 1.00 98.85 57 A 1 ATOM 467 C CD1 . ILE A 0 57 . -3.446 0.635 -0.975 1.00 98.85 57 A 1 ATOM 468 N N . VAL A 0 58 . -6.539 1.346 3.103 1.00 98.86 58 A 1 ATOM 469 C CA . VAL A 0 58 . -7.664 1.415 4.049 1.00 98.86 58 A 1 ATOM 470 C C . VAL A 0 58 . -8.994 1.252 3.318 1.00 98.86 58 A 1 ATOM 471 C CB . VAL A 0 58 . -7.625 2.735 4.838 1.00 98.86 58 A 1 ATOM 472 O O . VAL A 0 58 . -9.891 0.574 3.809 1.00 98.86 58 A 1 ATOM 473 C CG1 . VAL A 0 58 . -8.791 2.845 5.828 1.00 98.86 58 A 1 ATOM 474 C CG2 . VAL A 0 58 . -6.317 2.869 5.630 1.00 98.86 58 A 1 ATOM 475 N N . SER A 0 59 . -9.141 1.865 2.143 1.00 98.76 59 A 1 ATOM 476 C CA . SER A 0 59 . -10.311 1.689 1.280 1.00 98.76 59 A 1 ATOM 477 C C . SER A 0 59 . -9.976 1.944 -0.189 1.00 98.76 59 A 1 ATOM 478 C CB . SER A 0 59 . -11.476 2.571 1.744 1.00 98.76 59 A 1 ATOM 479 O O . SER A 0 59 . -8.964 2.571 -0.503 1.00 98.76 59 A 1 ATOM 480 O OG . SER A 0 59 . -11.227 3.946 1.535 1.00 98.76 59 A 1 ATOM 481 N N . GLY A 0 60 . -10.835 1.466 -1.093 1.00 98.72 60 A 1 ATOM 482 C CA . GLY A 0 60 . -10.590 1.513 -2.537 1.00 98.72 60 A 1 ATOM 483 C C . GLY A 0 60 . -9.660 0.392 -3.005 1.00 98.72 60 A 1 ATOM 484 O O . GLY A 0 60 . -9.426 -0.568 -2.274 1.00 98.72 60 A 1 ATOM 485 N N . GLN A 0 61 . -9.182 0.493 -4.246 1.00 98.81 61 A 1 ATOM 486 C CA . GLN A 0 61 . -8.288 -0.494 -4.849 1.00 98.81 61 A 1 ATOM 487 C C . GLN A 0 61 . -7.176 0.190 -5.646 1.00 98.81 61 A 1 ATOM 488 C CB . GLN A 0 61 . -9.071 -1.459 -5.752 1.00 98.81 61 A 1 ATOM 489 O O . GLN A 0 61 . -7.400 1.216 -6.298 1.00 98.81 61 A 1 ATOM 490 C CG . GLN A 0 61 . -10.063 -2.342 -4.986 1.00 98.81 61 A 1 ATOM 491 C CD . GLN A 0 61 . -10.800 -3.285 -5.927 1.00 98.81 61 A 1 ATOM 492 N NE2 . GLN A 0 61 . -10.445 -4.550 -5.956 1.00 98.81 61 A 1 ATOM 493 O OE1 . GLN A 0 61 . -11.701 -2.893 -6.655 1.00 98.81 61 A 1 ATOM 494 N N . LEU A 0 62 . -5.982 -0.395 -5.612 1.00 98.83 62 A 1 ATOM 495 C CA . LEU A 0 62 . -4.792 0.116 -6.283 1.00 98.83 62 A 1 ATOM 496 C C . LEU A 0 62 . -4.206 -0.975 -7.182 1.00 98.83 62 A 1 ATOM 497 C CB . LEU A 0 62 . -3.797 0.590 -5.203 1.00 98.83 62 A 1 ATOM 498 O O . LEU A 0 62 . -3.794 -2.018 -6.687 1.00 98.83 62 A 1 ATOM 499 C CG . LEU A 0 62 . -2.561 1.339 -5.732 1.00 98.83 62 A 1 ATOM 500 C CD1 . LEU A 0 62 . -2.959 2.658 -6.398 1.00 98.83 62 A 1 ATOM 501 C CD2 . LEU A 0 62 . -1.609 1.656 -4.581 1.00 98.83 62 A 1 ATOM 502 N N . SER A 0 63 . -4.158 -0.728 -8.490 1.00 98.85 63 A 1 ATOM 503 C CA . SER A 0 63 . -3.264 -1.462 -9.393 1.00 98.85 63 A 1 ATOM 504 C C . SER A 0 63 . -1.848 -1.024 -9.071 1.00 98.85 63 A 1 ATOM 505 C CB . SER A 0 63 . -3.546 -1.109 -10.861 1.00 98.85 63 A 1 ATOM 506 O O . SER A 0 63 . -1.585 0.176 -9.130 1.00 98.85 63 A 1 ATOM 507 O OG . SER A 0 63 . -3.807 -2.247 -11.637 1.00 98.85 63 A 1 ATOM 508 N N . PHE A 0 64 . -0.960 -1.946 -8.733 1.00 98.84 64 A 1 ATOM 509 C CA . PHE A 0 64 . 0.434 -1.652 -8.432 1.00 98.84 64 A 1 ATOM 510 C C . PHE A 0 64 . 1.339 -2.551 -9.266 1.00 98.84 64 A 1 ATOM 511 C CB . PHE A 0 64 . 0.687 -1.818 -6.930 1.00 98.84 64 A 1 ATOM 512 O O . PHE A 0 64 . 1.137 -3.765 -9.317 1.00 98.84 64 A 1 ATOM 513 C CG . PHE A 0 64 . 1.983 -1.183 -6.469 1.00 98.84 64 A 1 ATOM 514 C CD1 . PHE A 0 64 . 3.217 -1.815 -6.714 1.00 98.84 64 A 1 ATOM 515 C CD2 . PHE A 0 64 . 1.959 0.050 -5.794 1.00 98.84 64 A 1 ATOM 516 C CE1 . PHE A 0 64 . 4.414 -1.237 -6.261 1.00 98.84 64 A 1 ATOM 517 C CE2 . PHE A 0 64 . 3.156 0.634 -5.349 1.00 98.84 64 A 1 ATOM 518 C CZ . PHE A 0 64 . 4.380 -0.015 -5.572 1.00 98.84 64 A 1 ATOM 519 N N . SER A 0 65 . 2.357 -1.960 -9.884 1.00 98.75 65 A 1 ATOM 520 C CA . SER A 0 65 . 3.282 -2.667 -10.762 1.00 98.75 65 A 1 ATOM 521 C C . SER A 0 65 . 4.718 -2.498 -10.293 1.00 98.75 65 A 1 ATOM 522 C CB . SER A 0 65 . 3.127 -2.185 -12.205 1.00 98.75 65 A 1 ATOM 523 O O . SER A 0 65 . 5.185 -1.373 -10.142 1.00 98.75 65 A 1 ATOM 524 O OG . SER A 0 65 . 1.826 -2.477 -12.674 1.00 98.75 65 A 1 ATOM 525 N N . MET A 0 66 . 5.422 -3.615 -10.106 1.00 98.05 66 A 1 ATOM 526 C CA . MET A 0 66 . 6.874 -3.690 -9.904 1.00 98.05 66 A 1 ATOM 527 C C . MET A 0 66 . 7.393 -5.055 -10.373 1.00 98.05 66 A 1 ATOM 528 C CB . MET A 0 66 . 7.279 -3.411 -8.446 1.00 98.05 66 A 1 ATOM 529 O O . MET A 0 66 . 6.621 -5.997 -10.548 1.00 98.05 66 A 1 ATOM 530 C CG . MET A 0 66 . 6.779 -4.424 -7.414 1.00 98.05 66 A 1 ATOM 531 S SD . MET A 0 66 . 7.606 -4.244 -5.813 1.00 98.05 66 A 1 ATOM 532 C CE . MET A 0 66 . 6.855 -5.601 -4.887 1.00 98.05 66 A 1 ATOM 533 N N . TYR A 0 67 . 8.701 -5.179 -10.615 1.00 95.94 67 A 1 ATOM 534 C CA . TYR A 0 67 . 9.328 -6.425 -11.098 1.00 95.94 67 A 1 ATOM 535 C C . TYR A 0 67 . 8.719 -6.992 -12.397 1.00 95.94 67 A 1 ATOM 536 C CB . TYR A 0 67 . 9.376 -7.477 -9.973 1.00 95.94 67 A 1 ATOM 537 O O . TYR A 0 67 . 8.743 -8.202 -12.622 1.00 95.94 67 A 1 ATOM 538 C CG . TYR A 0 67 . 9.976 -6.996 -8.668 1.00 95.94 67 A 1 ATOM 539 C CD1 . TYR A 0 67 . 11.231 -6.355 -8.668 1.00 95.94 67 A 1 ATOM 540 C CD2 . TYR A 0 67 . 9.293 -7.211 -7.455 1.00 95.94 67 A 1 ATOM 541 C CE1 . TYR A 0 67 . 11.797 -5.917 -7.459 1.00 95.94 67 A 1 ATOM 542 C CE2 . TYR A 0 67 . 9.866 -6.784 -6.243 1.00 95.94 67 A 1 ATOM 543 O OH . TYR A 0 67 . 11.675 -5.736 -5.077 1.00 95.94 67 A 1 ATOM 544 C CZ . TYR A 0 67 . 11.111 -6.126 -6.245 1.00 95.94 67 A 1 ATOM 545 N N . GLY A 0 68 . 8.161 -6.129 -13.255 1.00 95.85 68 A 1 ATOM 546 C CA . GLY A 0 68 . 7.483 -6.540 -14.491 1.00 95.85 68 A 1 ATOM 547 C C . GLY A 0 68 . 6.161 -7.285 -14.269 1.00 95.85 68 A 1 ATOM 548 O O . GLY A 0 68 . 5.658 -7.916 -15.195 1.00 95.85 68 A 1 ATOM 549 N N . LYS A 0 69 . 5.610 -7.234 -13.053 1.00 97.65 69 A 1 ATOM 550 C CA . LYS A 0 69 . 4.327 -7.830 -12.676 1.00 97.65 69 A 1 ATOM 551 C C . LYS A 0 69 . 3.370 -6.745 -12.187 1.00 97.65 69 A 1 ATOM 552 C CB . LYS A 0 69 . 4.550 -8.871 -11.575 1.00 97.65 69 A 1 ATOM 553 O O . LYS A 0 69 . 3.805 -5.664 -11.797 1.00 97.65 69 A 1 ATOM 554 C CG . LYS A 0 69 . 5.505 -10.024 -11.918 1.00 97.65 69 A 1 ATOM 555 C CD . LYS A 0 69 . 5.531 -10.970 -10.711 1.00 97.65 69 A 1 ATOM 556 C CE . LYS A 0 69 . 6.610 -12.048 -10.792 1.00 97.65 69 A 1 ATOM 557 N NZ . LYS A 0 69 . 6.563 -12.870 -9.555 1.00 97.65 69 A 1 ATOM 558 N N . GLU A 0 70 . 2.083 -7.067 -12.164 1.00 98.41 70 A 1 ATOM 559 C CA . GLU A 0 70 . 1.018 -6.203 -11.652 1.00 98.41 70 A 1 ATOM 560 C C . GLU A 0 70 . 0.170 -6.970 -10.629 1.00 98.41 70 A 1 ATOM 561 C CB . GLU A 0 70 . 0.183 -5.668 -12.830 1.00 98.41 70 A 1 ATOM 562 O O . GLU A 0 70 . -0.097 -8.162 -10.801 1.00 98.41 70 A 1 ATOM 563 C CG . GLU A 0 70 . -0.917 -4.684 -12.394 1.00 98.41 70 A 1 ATOM 564 C CD . GLU A 0 70 . -1.615 -3.991 -13.578 1.00 98.41 70 A 1 ATOM 565 O OE1 . GLU A 0 70 . -2.060 -2.828 -13.398 1.00 98.41 70 A 1 ATOM 566 O OE2 . GLU A 0 70 . -1.766 -4.616 -14.651 1.00 98.41 70 A 1 ATOM 567 N N . ILE A 0 71 . -0.253 -6.284 -9.568 1.00 98.58 71 A 1 ATOM 568 C CA . ILE A 0 71 . -1.169 -6.789 -8.542 1.00 98.58 71 A 1 ATOM 569 C C . ILE A 0 71 . -2.248 -5.748 -8.237 1.00 98.58 71 A 1 ATOM 570 C CB . ILE A 0 71 . -0.387 -7.227 -7.280 1.00 98.58 71 A 1 ATOM 571 O O . ILE A 0 71 . -2.015 -4.546 -8.354 1.00 98.58 71 A 1 ATOM 572 C CG1 . ILE A 0 71 . -1.303 -8.011 -6.314 1.00 98.58 71 A 1 ATOM 573 C CG2 . ILE A 0 71 . 0.277 -6.035 -6.564 1.00 98.58 71 A 1 ATOM 574 C CD1 . ILE A 0 71 . -0.536 -8.767 -5.225 1.00 98.58 71 A 1 ATOM 575 N N . ILE A 0 72 . -3.431 -6.204 -7.824 1.00 98.74 72 A 1 ATOM 576 C CA . ILE A 0 72 . -4.469 -5.333 -7.269 1.00 98.74 72 A 1 ATOM 577 C C . ILE A 0 72 . -4.435 -5.441 -5.749 1.00 98.74 72 A 1 ATOM 578 C CB . ILE A 0 72 . -5.867 -5.678 -7.823 1.00 98.74 72 A 1 ATOM 579 O O . ILE A 0 72 . -4.694 -6.512 -5.207 1.00 98.74 72 A 1 ATOM 580 C CG1 . ILE A 0 72 . -5.935 -5.680 -9.366 1.00 98.74 72 A 1 ATOM 581 C CG2 . ILE A 0 72 . -6.918 -4.708 -7.247 1.00 98.74 72 A 1 ATOM 582 C CD1 . ILE A 0 72 . -5.427 -4.405 -10.044 1.00 98.74 72 A 1 ATOM 583 N N . LEU A 0 73 . -4.165 -4.325 -5.081 1.00 98.84 73 A 1 ATOM 584 C CA . LEU A 0 73 . -4.275 -4.193 -3.632 1.00 98.84 73 A 1 ATOM 585 C C . LEU A 0 73 . -5.673 -3.699 -3.259 1.00 98.84 73 A 1 ATOM 586 C CB . LEU A 0 73 . -3.198 -3.237 -3.101 1.00 98.84 73 A 1 ATOM 587 O O . LEU A 0 73 . -6.229 -2.814 -3.921 1.00 98.84 73 A 1 ATOM 588 C CG . LEU A 0 73 . -1.752 -3.589 -3.490 1.00 98.84 73 A 1 ATOM 589 C CD1 . LEU A 0 73 . -0.843 -2.462 -3.005 1.00 98.84 73 A 1 ATOM 590 C CD2 . LEU A 0 73 . -1.283 -4.912 -2.882 1.00 98.84 73 A 1 ATOM 591 N N . GLY A 0 74 . -6.232 -4.254 -2.191 1.00 98.69 74 A 1 ATOM 592 C CA . GLY A 0 74 . -7.522 -3.883 -1.621 1.00 98.69 74 A 1 ATOM 593 C C . GLY A 0 74 . -7.439 -3.549 -0.129 1.00 98.69 74 A 1 ATOM 594 O O . GLY A 0 74 . -6.359 -3.565 0.456 1.00 98.69 74 A 1 ATOM 595 N N . PRO A 0 75 . -8.578 -3.217 0.505 1.00 98.78 75 A 1 ATOM 596 C CA . PRO A 0 75 . -8.624 -2.829 1.912 1.00 98.78 75 A 1 ATOM 597 C C . PRO A 0 75 . -7.951 -3.862 2.821 1.00 98.78 75 A 1 ATOM 598 C CB . PRO A 0 75 . -10.113 -2.664 2.240 1.00 98.78 75 A 1 ATOM 599 O O . PRO A 0 75 . -8.327 -5.030 2.830 1.00 98.78 75 A 1 ATOM 600 C CG . PRO A 0 75 . -10.745 -2.358 0.884 1.00 98.78 75 A 1 ATOM 601 C CD . PRO A 0 75 . -9.910 -3.194 -0.075 1.00 98.78 75 A 1 ATOM 602 N N . GLY A 0 76 . -6.981 -3.403 3.608 1.00 98.77 76 A 1 ATOM 603 C CA . GLY A 0 76 . -6.232 -4.210 4.561 1.00 98.77 76 A 1 ATOM 604 C C . GLY A 0 76 . -4.888 -4.707 4.037 1.00 98.77 76 A 1 ATOM 605 O O . GLY A 0 76 . -4.063 -5.140 4.840 1.00 98.77 76 A 1 ATOM 606 N N . ASP A 0 77 . -4.632 -4.598 2.736 1.00 98.88 77 A 1 ATOM 607 C CA . ASP A 0 77 . -3.336 -4.948 2.167 1.00 98.88 77 A 1 ATOM 608 C C . ASP A 0 77 . -2.283 -3.900 2.527 1.00 98.88 77 A 1 ATOM 609 C CB . ASP A 0 77 . -3.428 -5.120 0.646 1.00 98.88 77 A 1 ATOM 610 O O . ASP A 0 77 . -2.520 -2.691 2.450 1.00 98.88 77 A 1 ATOM 611 C CG . ASP A 0 77 . -4.324 -6.284 0.220 1.00 98.88 77 A 1 ATOM 612 O OD1 . ASP A 0 77 . -4.572 -7.181 1.056 1.00 98.88 77 A 1 ATOM 613 O OD2 . ASP A 0 77 . -4.744 -6.280 -0.957 1.00 98.88 77 A 1 ATOM 614 N N . ARG A 0 78 . -1.095 -4.374 2.901 1.00 98.57 78 A 1 ATOM 615 C CA . ARG A 0 78 . 0.102 -3.564 3.130 1.00 98.57 78 A 1 ATOM 616 C C . ARG A 0 78 . 1.228 -4.135 2.285 1.00 98.57 78 A 1 ATOM 617 C CB . ARG A 0 78 . 0.463 -3.529 4.621 1.00 98.57 78 A 1 ATOM 618 O O . ARG A 0 78 . 1.733 -5.217 2.586 1.00 98.57 78 A 1 ATOM 619 C CG . ARG A 0 78 . -0.708 -3.095 5.519 1.00 98.57 78 A 1 ATOM 620 C CD . ARG A 0 78 . -0.269 -2.971 6.980 1.00 98.57 78 A 1 ATOM 621 N NE . ARG A 0 78 . 0.116 -4.279 7.548 1.00 98.57 78 A 1 ATOM 622 N NH1 . ARG A 0 78 . 1.267 -3.477 9.368 1.00 98.57 78 A 1 ATOM 623 N NH2 . ARG A 0 78 . 1.178 -5.672 9.007 1.00 98.57 78 A 1 ATOM 624 C CZ . ARG A 0 78 . 0.845 -4.470 8.633 1.00 98.57 78 A 1 ATOM 625 N N . LEU A 0 79 . 1.569 -3.436 1.210 1.00 98.70 79 A 1 ATOM 626 C CA . LEU A 0 79 . 2.594 -3.868 0.268 1.00 98.70 79 A 1 ATOM 627 C C . LEU A 0 79 . 3.958 -3.316 0.681 1.00 98.70 79 A 1 ATOM 628 C CB . LEU A 0 79 . 2.196 -3.421 -1.153 1.00 98.70 79 A 1 ATOM 629 O O . LEU A 0 79 . 4.104 -2.105 0.827 1.00 98.70 79 A 1 ATOM 630 C CG . LEU A 0 79 . 3.280 -3.708 -2.209 1.00 98.70 79 A 1 ATOM 631 C CD1 . LEU A 0 79 . 3.515 -5.206 -2.402 1.00 98.70 79 A 1 ATOM 632 C CD2 . LEU A 0 79 . 2.912 -3.126 -3.570 1.00 98.70 79 A 1 ATOM 633 N N . GLU A 0 80 . 4.960 -4.186 0.800 1.00 97.72 80 A 1 ATOM 634 C CA . GLU A 0 80 . 6.357 -3.755 0.881 1.00 97.72 80 A 1 ATOM 635 C C . GLU A 0 80 . 6.839 -3.244 -0.479 1.00 97.72 80 A 1 ATOM 636 C CB . GLU A 0 80 . 7.268 -4.888 1.375 1.00 97.72 80 A 1 ATOM 637 O O . GLU A 0 80 . 6.812 -3.967 -1.477 1.00 97.72 80 A 1 ATOM 638 C CG . GLU A 0 80 . 6.989 -5.267 2.837 1.00 97.72 80 A 1 ATOM 639 C CD . GLU A 0 80 . 7.946 -6.331 3.395 1.00 97.72 80 A 1 ATOM 640 O OE1 . GLU A 0 80 . 7.528 -7.033 4.347 1.00 97.72 80 A 1 ATOM 641 O OE2 . GLU A 0 80 . 9.101 -6.422 2.923 1.00 97.72 80 A 1 ATOM 642 N N . VAL A 0 81 . 7.316 -1.999 -0.500 1.00 97.72 81 A 1 ATOM 643 C CA . VAL A 0 81 . 7.910 -1.355 -1.672 1.00 97.72 81 A 1 ATOM 644 C C . VAL A 0 81 . 9.367 -1.027 -1.336 1.00 97.72 81 A 1 ATOM 645 C CB . VAL A 0 81 . 7.121 -0.107 -2.092 1.00 97.72 81 A 1 ATOM 646 O O . VAL A 0 81 . 9.636 -0.063 -0.610 1.00 97.72 81 A 1 ATOM 647 C CG1 . VAL A 0 81 . 7.693 0.488 -3.385 1.00 97.72 81 A 1 ATOM 648 C CG2 . VAL A 0 81 . 5.630 -0.399 -2.300 1.00 97.72 81 A 1 ATOM 649 N N . PRO A 0 82 . 10.329 -1.839 -1.808 1.00 96.05 82 A 1 ATOM 650 C CA . PRO A 0 82 . 11.736 -1.614 -1.507 1.00 96.05 82 A 1 ATOM 651 C C . PRO A 0 82 . 12.271 -0.358 -2.194 1.00 96.05 82 A 1 ATOM 652 C CB . PRO A 0 82 . 12.475 -2.879 -1.955 1.00 96.05 82 A 1 ATOM 653 O O . PRO A 0 82 . 11.872 -0.020 -3.314 1.00 96.05 82 A 1 ATOM 654 C CG . PRO A 0 82 . 11.374 -3.937 -2.013 1.00 96.05 82 A 1 ATOM 655 C CD . PRO A 0 82 . 10.160 -3.132 -2.457 1.00 96.05 82 A 1 ATOM 656 N N . ARG A 0 83 . 13.238 0.299 -1.550 1.00 95.67 83 A 1 ATOM 657 C CA . ARG A 0 83 . 13.935 1.448 -2.130 1.00 95.67 83 A 1 ATOM 658 C C . ARG A 0 83 . 14.534 1.115 -3.493 1.00 95.67 83 A 1 ATOM 659 C CB . ARG A 0 83 . 15.017 1.957 -1.176 1.00 95.67 83 A 1 ATOM 660 O O . ARG A 0 83 . 15.007 0.004 -3.735 1.00 95.67 83 A 1 ATOM 661 C CG . ARG A 0 83 . 16.216 1.003 -1.061 1.00 95.67 83 A 1 ATOM 662 C CD . ARG A 0 83 . 17.208 1.511 -0.025 1.00 95.67 83 A 1 ATOM 663 N NE . ARG A 0 83 . 16.674 1.356 1.335 1.00 95.67 83 A 1 ATOM 664 N NH1 . ARG A 0 83 . 17.804 3.109 2.284 1.00 95.67 83 A 1 ATOM 665 N NH2 . ARG A 0 83 . 16.461 1.813 3.529 1.00 95.67 83 A 1 ATOM 666 C CZ . ARG A 0 83 . 16.993 2.091 2.376 1.00 95.67 83 A 1 ATOM 667 N N . ASN A 0 84 . 14.605 2.121 -4.352 1.00 96.35 84 A 1 ATOM 668 C CA . ASN A 0 84 . 15.224 2.087 -5.675 1.00 96.35 84 A 1 ATOM 669 C C . ASN A 0 84 . 14.623 1.055 -6.643 1.00 96.35 84 A 1 ATOM 670 C CB . ASN A 0 84 . 16.751 1.969 -5.526 1.00 96.35 84 A 1 ATOM 671 O O . ASN A 0 84 . 15.211 0.800 -7.692 1.00 96.35 84 A 1 ATOM 672 C CG . ASN A 0 84 . 17.332 3.070 -4.664 1.00 96.35 84 A 1 ATOM 673 N ND2 . ASN A 0 84 . 18.216 2.747 -3.749 1.00 96.35 84 A 1 ATOM 674 O OD1 . ASN A 0 84 . 17.014 4.236 -4.798 1.00 96.35 84 A 1 ATOM 675 N N . ILE A 0 85 . 13.461 0.476 -6.326 1.00 97.23 85 A 1 ATOM 676 C CA . ILE A 0 85 . 12.724 -0.389 -7.245 1.00 97.23 85 A 1 ATOM 677 C C . ILE A 0 85 . 11.740 0.464 -8.046 1.00 97.23 85 A 1 ATOM 678 C CB . ILE A 0 85 . 12.033 -1.538 -6.489 1.00 97.23 85 A 1 ATOM 679 O O . ILE A 0 85 . 10.869 1.096 -7.438 1.00 97.23 85 A 1 ATOM 680 C CG1 . ILE A 0 85 . 13.062 -2.414 -5.741 1.00 97.23 85 A 1 ATOM 681 C CG2 . ILE A 0 85 . 11.187 -2.402 -7.442 1.00 97.23 85 A 1 ATOM 682 C CD1 . ILE A 0 85 . 14.223 -2.968 -6.582 1.00 97.23 85 A 1 ATOM 683 N N . PRO A 0 86 . 11.854 0.498 -9.389 1.00 98.25 86 A 1 ATOM 684 C CA . PRO A 0 86 . 10.872 1.160 -10.231 1.00 98.25 86 A 1 ATOM 685 C C . PRO A 0 86 . 9.494 0.547 -10.023 1.00 98.25 86 A 1 ATOM 686 C CB . PRO A 0 86 . 11.356 1.012 -11.676 1.00 98.25 86 A 1 ATOM 687 O O . PRO A 0 86 . 9.323 -0.675 -10.095 1.00 98.25 86 A 1 ATOM 688 C CG . PRO A 0 86 . 12.859 0.818 -11.512 1.00 98.25 86 A 1 ATOM 689 C CD . PRO A 0 86 . 12.956 0.023 -10.213 1.00 98.25 86 A 1 ATOM 690 N N . HIS A 0 87 . 8.524 1.405 -9.744 1.00 98.61 87 A 1 ATOM 691 C CA . HIS A 0 87 . 7.140 1.007 -9.581 1.00 98.61 87 A 1 ATOM 692 C C . HIS A 0 87 . 6.194 2.083 -10.094 1.00 98.61 87 A 1 ATOM 693 C CB . HIS A 0 87 . 6.850 0.654 -8.118 1.00 98.61 87 A 1 ATOM 694 O O . HIS A 0 87 . 6.513 3.270 -10.112 1.00 98.61 87 A 1 ATOM 695 C CG . HIS A 0 87 . 7.106 1.777 -7.149 1.00 98.61 87 A 1 ATOM 696 C CD2 . HIS A 0 87 . 6.178 2.609 -6.583 1.00 98.61 87 A 1 ATOM 697 N ND1 . HIS A 0 87 . 8.333 2.140 -6.650 1.00 98.61 87 A 1 ATOM 698 C CE1 . HIS A 0 87 . 8.151 3.166 -5.809 1.00 98.61 87 A 1 ATOM 699 N NE2 . HIS A 0 87 . 6.849 3.468 -5.707 1.00 98.61 87 A 1 ATOM 700 N N . SER A 0 88 . 5.008 1.657 -10.508 1.00 98.74 88 A 1 ATOM 701 C CA . SER A 0 88 . 3.906 2.531 -10.909 1.00 98.74 88 A 1 ATOM 702 C C . SER A 0 88 . 2.616 2.046 -10.270 1.00 98.74 88 A 1 ATOM 703 C CB . SER A 0 88 . 3.774 2.596 -12.433 1.00 98.74 88 A 1 ATOM 704 O O . SER A 0 88 . 2.521 0.898 -9.831 1.00 98.74 88 A 1 ATOM 705 O OG . SER A 0 88 . 3.575 1.316 -12.992 1.00 98.74 88 A 1 ATOM 706 N N . ALA A 0 89 . 1.615 2.919 -10.202 1.00 98.77 89 A 1 ATOM 707 C CA . ALA A 0 89 . 0.335 2.545 -9.632 1.00 98.77 89 A 1 ATOM 708 C C . ALA A 0 89 . -0.830 3.306 -10.262 1.00 98.77 89 A 1 ATOM 709 C CB . ALA A 0 89 . 0.395 2.723 -8.109 1.00 98.77 89 A 1 ATOM 710 O O . ALA A 0 89 . -0.674 4.397 -10.807 1.00 98.77 89 A 1 ATOM 711 N N . ARG A 0 90 . -2.037 2.759 -10.156 1.00 98.79 90 A 1 ATOM 712 C CA . ARG A 0 90 . -3.262 3.411 -10.619 1.00 98.79 90 A 1 ATOM 713 C C . ARG A 0 90 . -4.421 3.071 -9.706 1.00 98.79 90 A 1 ATOM 714 C CB . ARG A 0 90 . -3.530 2.996 -12.070 1.00 98.79 90 A 1 ATOM 715 O O . ARG A 0 90 . -4.680 1.901 -9.436 1.00 98.79 90 A 1 ATOM 716 C CG . ARG A 0 90 . -4.753 3.711 -12.665 1.00 98.79 90 A 1 ATOM 717 C CD . ARG A 0 90 . -4.931 3.355 -14.143 1.00 98.79 90 A 1 ATOM 718 N NE . ARG A 0 90 . -5.182 1.910 -14.325 1.00 98.79 90 A 1 ATOM 719 N NH1 . ARG A 0 90 . -4.330 1.701 -16.447 1.00 98.79 90 A 1 ATOM 720 N NH2 . ARG A 0 90 . -4.984 -0.121 -15.334 1.00 98.79 90 A 1 ATOM 721 C CZ . ARG A 0 90 . -4.840 1.174 -15.368 1.00 98.79 90 A 1 ATOM 722 N N . VAL A 0 91 . -5.158 4.087 -9.273 1.00 98.84 91 A 1 ATOM 723 C CA . VAL A 0 91 . -6.405 3.881 -8.537 1.00 98.84 91 A 1 ATOM 724 C C . VAL A 0 91 . -7.429 3.275 -9.483 1.00 98.84 91 A 1 ATOM 725 C CB . VAL A 0 91 . -6.949 5.176 -7.923 1.00 98.84 91 A 1 ATOM 726 O O . VAL A 0 91 . -7.803 3.886 -10.488 1.00 98.84 91 A 1 ATOM 727 C CG1 . VAL A 0 91 . -8.207 4.868 -7.100 1.00 98.84 91 A 1 ATOM 728 C CG2 . VAL A 0 91 . -5.915 5.825 -7.004 1.00 98.84 91 A 1 ATOM 729 N N . VAL A 0 92 . -7.892 2.076 -9.147 1.00 98.52 92 A 1 ATOM 730 C CA . VAL A 0 92 . -8.878 1.326 -9.927 1.00 98.52 92 A 1 ATOM 731 C C . VAL A 0 92 . -10.180 1.166 -9.148 1.00 98.52 92 A 1 ATOM 732 C CB . VAL A 0 92 . -8.318 -0.022 -10.423 1.00 98.52 92 A 1 ATOM 733 O O . VAL A 0 92 . -10.268 1.444 -7.953 1.00 98.52 92 A 1 ATOM 734 C CG1 . VAL A 0 92 . -7.175 0.191 -11.423 1.00 98.52 92 A 1 ATOM 735 C CG2 . VAL A 0 92 . -7.856 -0.935 -9.286 1.00 98.52 92 A 1 ATOM 736 N N . GLY A 0 93 . -11.227 0.737 -9.849 1.00 96.22 93 A 1 ATOM 737 C CA . GLY A 0 93 . -12.572 0.664 -9.292 1.00 96.22 93 A 1 ATOM 738 C C . GLY A 0 93 . -13.272 2.026 -9.269 1.00 96.22 93 A 1 ATOM 739 O O . GLY A 0 93 . -12.854 2.975 -9.928 1.00 96.22 93 A 1 ATOM 740 N N . LYS A 0 94 . -14.397 2.101 -8.550 1.00 97.07 94 A 1 ATOM 741 C CA . LYS A 0 94 . -15.284 3.283 -8.528 1.00 97.07 94 A 1 ATOM 742 C C . LYS A 0 94 . -15.146 4.137 -7.267 1.00 97.07 94 A 1 ATOM 743 C CB . LYS A 0 94 . -16.745 2.838 -8.710 1.00 97.07 94 A 1 ATOM 744 O O . LYS A 0 94 . -15.695 5.232 -7.211 1.00 97.07 94 A 1 ATOM 745 C CG . LYS A 0 94 . -16.994 2.148 -10.060 1.00 97.07 94 A 1 ATOM 746 C CD . LYS A 0 94 . -18.472 1.767 -10.205 1.00 97.07 94 A 1 ATOM 747 C CE . LYS A 0 94 . -18.701 1.054 -11.542 1.00 97.07 94 A 1 ATOM 748 N NZ . LYS A 0 94 . -20.121 0.652 -11.706 1.00 97.07 94 A 1 ATOM 749 N N . ASN A 0 95 . -14.439 3.636 -6.258 1.00 98.09 95 A 1 ATOM 750 C CA . ASN A 0 95 . -14.343 4.271 -4.950 1.00 98.09 95 A 1 ATOM 751 C C . ASN A 0 95 . -12.993 4.981 -4.805 1.00 98.09 95 A 1 ATOM 752 C CB . ASN A 0 95 . -14.564 3.213 -3.860 1.00 98.09 95 A 1 ATOM 753 O O . ASN A 0 95 . -11.993 4.465 -5.307 1.00 98.09 95 A 1 ATOM 754 C CG . ASN A 0 95 . -15.964 2.630 -3.901 1.00 98.09 95 A 1 ATOM 755 N ND2 . ASN A 0 95 . -16.105 1.358 -3.617 1.00 98.09 95 A 1 ATOM 756 O OD1 . ASN A 0 95 . -16.940 3.299 -4.189 1.00 98.09 95 A 1 ATOM 757 N N . PRO A 0 96 . -12.934 6.132 -4.113 1.00 98.68 96 A 1 ATOM 758 C CA . PRO A 0 96 . -11.667 6.764 -3.774 1.00 98.68 96 A 1 ATOM 759 C C . PRO A 0 96 . -10.736 5.798 -3.042 1.00 98.68 96 A 1 ATOM 760 C CB . PRO A 0 96 . -12.023 7.962 -2.888 1.00 98.68 96 A 1 ATOM 761 O O . PRO A 0 96 . -11.184 5.064 -2.159 1.00 98.68 96 A 1 ATOM 762 C CG . PRO A 0 96 . -13.457 8.290 -3.297 1.00 98.68 96 A 1 ATOM 763 C CD . PRO A 0 96 . -14.048 6.919 -3.610 1.00 98.68 96 A 1 ATOM 764 N N . LEU A 0 97 . -9.448 5.851 -3.371 1.00 98.86 97 A 1 ATOM 765 C CA . LEU A 0 97 . -8.421 5.179 -2.589 1.00 98.86 97 A 1 ATOM 766 C C . LEU A 0 97 . -8.171 5.989 -1.323 1.00 98.86 97 A 1 ATOM 767 C CB . LEU A 0 97 . -7.128 5.047 -3.405 1.00 98.86 97 A 1 ATOM 768 O O . LEU A 0 97 . -7.933 7.193 -1.412 1.00 98.86 97 A 1 ATOM 769 C CG . LEU A 0 97 . -6.090 4.129 -2.732 1.00 98.86 97 A 1 ATOM 770 C CD1 . LEU A 0 97 . -6.432 2.666 -2.995 1.00 98.86 97 A 1 ATOM 771 C CD2 . LEU A 0 97 . -4.700 4.429 -3.279 1.00 98.86 97 A 1 ATOM 772 N N . VAL A 0 98 . -8.175 5.341 -0.166 1.00 98.85 98 A 1 ATOM 773 C CA . VAL A 0 98 . -7.587 5.876 1.064 1.00 98.85 98 A 1 ATOM 774 C C . VAL A 0 98 . -6.476 4.930 1.463 1.00 98.85 98 A 1 ATOM 775 C CB . VAL A 0 98 . -8.616 6.026 2.197 1.00 98.85 98 A 1 ATOM 776 O O . VAL A 0 98 . -6.725 3.742 1.661 1.00 98.85 98 A 1 ATOM 777 C CG1 . VAL A 0 98 . -7.967 6.613 3.460 1.00 98.85 98 A 1 ATOM 778 C CG2 . VAL A 0 98 . -9.758 6.968 1.789 1.00 98.85 98 A 1 ATOM 779 N N . PHE A 0 99 . -5.260 5.446 1.585 1.00 98.11 99 A 1 ATOM 780 C CA . PHE A 0 99 . -4.115 4.639 1.985 1.00 98.11 99 A 1 ATOM 781 C C . PHE A 0 99 . -3.149 5.445 2.858 1.00 98.11 99 A 1 ATOM 782 C CB . PHE A 0 99 . -3.457 3.997 0.747 1.00 98.11 99 A 1 ATOM 783 O O . PHE A 0 99 . -3.236 6.678 2.951 1.00 98.11 99 A 1 ATOM 784 C CG . PHE A 0 99 . -2.340 4.791 0.119 1.00 98.11 99 A 1 ATOM 785 C CD1 . PHE A 0 99 . -2.623 6.006 -0.520 1.00 98.11 99 A 1 ATOM 786 C CD2 . PHE A 0 99 . -1.009 4.338 0.207 1.00 98.11 99 A 1 ATOM 787 C CE1 . PHE A 0 99 . -1.568 6.762 -1.046 1.00 98.11 99 A 1 ATOM 788 C CE2 . PHE A 0 99 . 0.037 5.101 -0.337 1.00 98.11 99 A 1 ATOM 789 C CZ . PHE A 0 99 . -0.242 6.321 -0.964 1.00 98.11 99 A 1 ATOM 790 N N . VAL A 0 100 . -2.266 4.723 3.538 1.00 98.73 100 A 1 ATOM 791 C CA . VAL A 0 100 . -1.164 5.277 4.321 1.00 98.73 100 A 1 ATOM 792 C C . VAL A 0 100 . 0.139 4.877 3.641 1.00 98.73 100 A 1 ATOM 793 C CB . VAL A 0 100 . -1.212 4.797 5.785 1.00 98.73 100 A 1 ATOM 794 O O . VAL A 0 100 . 0.384 3.687 3.464 1.00 98.73 100 A 1 ATOM 795 C CG1 . VAL A 0 100 . -0.113 5.461 6.621 1.00 98.73 100 A 1 ATOM 796 C CG2 . VAL A 0 100 . -2.562 5.124 6.446 1.00 98.73 100 A 1 ATOM 797 N N . ASP A 0 101 . 0.947 5.870 3.284 1.00 98.25 101 A 1 ATOM 798 C CA . ASP A 0 101 . 2.356 5.685 2.938 1.00 98.25 101 A 1 ATOM 799 C C . ASP A 0 101 . 3.143 5.682 4.252 1.00 98.25 101 A 1 ATOM 800 C CB . ASP A 0 101 . 2.810 6.803 1.985 1.00 98.25 101 A 1 ATOM 801 O O . ASP A 0 101 . 3.092 6.651 5.026 1.00 98.25 101 A 1 ATOM 802 C CG . ASP A 0 101 . 4.221 6.576 1.424 1.00 98.25 101 A 1 ATOM 803 O OD1 . ASP A 0 101 . 5.114 6.212 2.221 1.00 98.25 101 A 1 ATOM 804 O OD2 . ASP A 0 101 . 4.401 6.806 0.204 1.00 98.25 101 A 1 ATOM 805 N N . ALA A 0 102 . 3.777 4.555 4.560 1.00 98.32 102 A 1 ATOM 806 C CA . ALA A 0 102 . 4.527 4.371 5.788 1.00 98.32 102 A 1 ATOM 807 C C . ALA A 0 102 . 5.999 4.089 5.498 1.00 98.32 102 A 1 ATOM 808 C CB . ALA A 0 102 . 3.852 3.284 6.626 1.00 98.32 102 A 1 ATOM 809 O O . ALA A 0 102 . 6.341 3.061 4.922 1.00 98.32 102 A 1 ATOM 810 N N . THR A 0 103 . 6.883 4.956 5.983 1.00 96.89 103 A 1 ATOM 811 C CA . THR A 0 103 . 8.333 4.755 5.911 1.00 96.89 103 A 1 ATOM 812 C C . THR A 0 103 . 8.906 4.491 7.292 1.00 96.89 103 A 1 ATOM 813 C CB . THR A 0 103 . 9.073 5.915 5.227 1.00 96.89 103 A 1 ATOM 814 O O . THR A 0 103 . 8.393 4.954 8.318 1.00 96.89 103 A 1 ATOM 815 C CG2 . THR A 0 103 . 8.553 6.187 3.821 1.00 96.89 103 A 1 ATOM 816 O OG1 . THR A 0 103 . 8.994 7.118 5.957 1.00 96.89 103 A 1 ATOM 817 N N . ARG A 0 104 . 10.004 3.737 7.347 1.00 84.96 104 A 1 ATOM 818 C CA . ARG A 0 104 . 10.789 3.584 8.573 1.00 84.96 104 A 1 ATOM 819 C C . ARG A 0 104 . 12.095 4.340 8.408 1.00 84.96 104 A 1 ATOM 820 C CB . ARG A 0 104 . 10.981 2.099 8.898 1.00 84.96 104 A 1 ATOM 821 O O . ARG A 0 104 . 12.929 3.957 7.592 1.00 84.96 104 A 1 ATOM 822 C CG . ARG A 0 104 . 11.635 1.919 10.280 1.00 84.96 104 A 1 ATOM 823 C CD . ARG A 0 104 . 11.766 0.443 10.662 1.00 84.96 104 A 1 ATOM 824 N NE . ARG A 0 104 . 12.646 -0.276 9.722 1.00 84.96 104 A 1 ATOM 825 N NH1 . ARG A 0 104 . 12.242 -2.395 10.502 1.00 84.96 104 A 1 ATOM 826 N NH2 . ARG A 0 104 . 13.488 -2.103 8.671 1.00 84.96 104 A 1 ATOM 827 C CZ . ARG A 0 104 . 12.797 -1.584 9.646 1.00 84.96 104 A 1 ATOM 828 N N . ARG A 0 105 . 12.303 5.360 9.241 1.00 68.43 105 A 1 ATOM 829 C CA . ARG A 0 105 . 13.627 5.968 9.395 1.00 68.43 105 A 1 ATOM 830 C C . ARG A 0 105 . 14.531 4.912 10.031 1.00 68.43 105 A 1 ATOM 831 C CB . ARG A 0 105 . 13.544 7.253 10.231 1.00 68.43 105 A 1 ATOM 832 O O . ARG A 0 105 . 14.241 4.467 11.140 1.00 68.43 105 A 1 ATOM 833 C CG . ARG A 0 105 . 12.664 8.313 9.550 1.00 68.43 105 A 1 ATOM 834 C CD . ARG A 0 105 . 12.794 9.655 10.272 1.00 68.43 105 A 1 ATOM 835 N NE . ARG A 0 105 . 11.892 10.659 9.683 1.00 68.43 105 A 1 ATOM 836 N NH1 . ARG A 0 105 . 12.593 12.452 10.929 1.00 68.43 105 A 1 ATOM 837 N NH2 . ARG A 0 105 . 10.978 12.721 9.407 1.00 68.43 105 A 1 ATOM 838 C CZ . ARG A 0 105 . 11.824 11.935 10.010 1.00 68.43 105 A 1 ATOM 839 N N . ARG A 0 106 . 15.524 4.423 9.287 1.00 58.43 106 A 1 ATOM 840 C CA . ARG A 0 106 . 16.615 3.641 9.884 1.00 58.43 106 A 1 ATOM 841 C C . ARG A 0 106 . 17.525 4.553 10.692 1.00 58.43 106 A 1 ATOM 842 C CB . ARG A 0 106 . 17.433 2.873 8.837 1.00 58.43 106 A 1 ATOM 843 O O . ARG A 0 106 . 17.646 5.735 10.306 1.00 58.43 106 A 1 ATOM 844 C CG . ARG A 0 106 . 16.848 1.495 8.510 1.00 58.43 106 A 1 ATOM 845 C CD . ARG A 0 106 . 17.918 0.685 7.767 1.00 58.43 106 A 1 ATOM 846 N NE . ARG A 0 106 . 17.426 -0.625 7.302 1.00 58.43 106 A 1 ATOM 847 N NH1 . ARG A 0 106 . 19.463 -1.680 7.198 1.00 58.43 106 A 1 ATOM 848 N NH2 . ARG A 0 106 . 17.627 -2.764 6.553 1.00 58.43 106 A 1 ATOM 849 C CZ . ARG A 0 106 . 18.171 -1.681 7.028 1.00 58.43 106 A 1 ATOM 850 O OXT . ARG A 0 106 . 18.088 3.994 11.650 1.00 58.43 106 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 96.27 # loop_ _atom_type.symbol C N O S #