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 CYS 0 3 GLN 0 4 PRO 0 5 GLY 0 6 ARG 0 7 THR 0 8 GLY 0 9 GLN 0 10 PHE 0 11 CYS 0 12 ASP 0 13 GLN 0 14 ASN 0 15 ILE 0 16 GLY 0 17 ASP 0 18 CYS 0 19 VAL 0 20 ASP 0 21 LYS 0 22 CYS 0 23 LYS 0 24 ASN 0 25 GLY 0 26 GLY 0 27 THR 0 28 CYS 0 29 HIS 0 30 ASP 0 31 LEU 0 32 LEU 0 33 ASP 0 34 ASP 0 35 PHE 0 36 TYR 0 37 CYS 0 38 THR 0 39 CYS 0 40 PRO 0 41 ILE 0 42 GLY 0 43 PHE 0 44 GLU 0 45 GLY 0 46 ARG 0 47 TYR 0 48 CYS 0 49 GLU 0 50 ILE 0 51 ASN 0 52 ARG 0 53 GLU 0 54 CYS 0 55 SER 0 56 SER 0 57 LYS 0 58 PRO 0 59 CYS 0 60 GLN 0 61 ASN 0 62 LYS 0 63 GLY 0 64 ILE 0 65 GLY 0 66 HIS 0 67 GLU 0 68 ILE 0 69 THR 0 70 GLY 0 71 GLY 0 72 TYR 0 73 LEU 0 74 CYS 0 75 GLU 0 76 CYS 0 77 PRO 0 78 ASN 0 79 GLY 0 80 PHE 0 81 ILE 0 82 GLY 0 83 GLN 0 84 ASN 0 85 CYS 0 86 GLU 0 87 LEU 0 88 THR 0 89 ILE 0 90 ASP 0 91 LEU 0 92 CYS 0 93 GLN 0 94 ALA 0 95 ASN 0 96 PRO 0 97 ARG 0 98 GLN 0 99 ASN 0 100 GLY 0 101 GLU 0 102 TYR 0 103 CYS 0 104 GLN 0 105 HIS 0 106 THR 0 107 LEU 0 108 TYR 0 109 PRO 0 110 GLY 0 111 ASP 0 112 ILE 0 113 GLN 0 114 CYS 0 115 HIS 0 116 CYS 0 117 PRO 0 118 LEU 0 119 GLY 0 120 TRP 0 121 SER 0 122 GLY 0 123 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 . -24.919 -5.560 29.567 1.00 79.96 1 A 1 ATOM 2 C CA . MET A 0 1 . -23.841 -5.768 28.576 1.00 79.96 1 A 1 ATOM 3 C C . MET A 0 1 . -24.253 -5.052 27.303 1.00 79.96 1 A 1 ATOM 4 C CB . MET A 0 1 . -23.599 -7.259 28.291 1.00 79.96 1 A 1 ATOM 5 O O . MET A 0 1 . -25.425 -5.147 26.959 1.00 79.96 1 A 1 ATOM 6 C CG . MET A 0 1 . -22.842 -7.955 29.427 1.00 79.96 1 A 1 ATOM 7 S SD . MET A 0 1 . -22.447 -9.681 29.054 1.00 79.96 1 A 1 ATOM 8 C CE . MET A 0 1 . -21.318 -10.072 30.417 1.00 79.96 1 A 1 ATOM 9 N N . CYS A 0 2 . -23.347 -4.305 26.672 1.00 82.45 2 A 1 ATOM 10 C CA . CYS A 0 2 . -23.641 -3.579 25.434 1.00 82.45 2 A 1 ATOM 11 C C . CYS A 0 2 . -23.604 -4.509 24.213 1.00 82.45 2 A 1 ATOM 12 C CB . CYS A 0 2 . -22.673 -2.396 25.290 1.00 82.45 2 A 1 ATOM 13 O O . CYS A 0 2 . -22.983 -5.572 24.269 1.00 82.45 2 A 1 ATOM 14 S SG . CYS A 0 2 . -22.724 -1.207 26.661 1.00 82.45 2 A 1 ATOM 15 N N . GLN A 0 3 . -24.280 -4.111 23.129 1.00 85.40 3 A 1 ATOM 16 C CA . GLN A 0 3 . -24.110 -4.751 21.821 1.00 85.40 3 A 1 ATOM 17 C C . GLN A 0 3 . -22.667 -4.546 21.315 1.00 85.40 3 A 1 ATOM 18 C CB . GLN A 0 3 . -25.129 -4.187 20.811 1.00 85.40 3 A 1 ATOM 19 O O . GLN A 0 3 . -22.030 -3.569 21.726 1.00 85.40 3 A 1 ATOM 20 C CG . GLN A 0 3 . -26.557 -4.680 21.091 1.00 85.40 3 A 1 ATOM 21 C CD . GLN A 0 3 . -27.560 -4.155 20.067 1.00 85.40 3 A 1 ATOM 22 N NE2 . GLN A 0 3 . -28.284 -5.013 19.380 1.00 85.40 3 A 1 ATOM 23 O OE1 . GLN A 0 3 . -27.731 -2.965 19.877 1.00 85.40 3 A 1 ATOM 24 N N . PRO A 0 4 . -22.155 -5.435 20.440 1.00 82.88 4 A 1 ATOM 25 C CA . PRO A 0 4 . -20.896 -5.211 19.726 1.00 82.88 4 A 1 ATOM 26 C C . PRO A 0 4 . -20.844 -3.804 19.106 1.00 82.88 4 A 1 ATOM 27 C CB . PRO A 0 4 . -20.824 -6.311 18.665 1.00 82.88 4 A 1 ATOM 28 O O . PRO A 0 4 . -21.882 -3.258 18.725 1.00 82.88 4 A 1 ATOM 29 C CG . PRO A 0 4 . -21.673 -7.434 19.255 1.00 82.88 4 A 1 ATOM 30 C CD . PRO A 0 4 . -22.776 -6.669 19.981 1.00 82.88 4 A 1 ATOM 31 N N . GLY A 0 5 . -19.665 -3.184 19.108 1.00 83.06 5 A 1 ATOM 32 C CA . GLY A 0 5 . -19.465 -1.811 18.639 1.00 83.06 5 A 1 ATOM 33 C C . GLY A 0 5 . -19.939 -0.697 19.575 1.00 83.06 5 A 1 ATOM 34 O O . GLY A 0 5 . -19.747 0.468 19.251 1.00 83.06 5 A 1 ATOM 35 N N . ARG A 0 6 . -20.540 -0.988 20.741 1.00 86.91 6 A 1 ATOM 36 C CA . ARG A 0 6 . -21.032 0.053 21.668 1.00 86.91 6 A 1 ATOM 37 C C . ARG A 0 6 . -20.359 0.045 23.034 1.00 86.91 6 A 1 ATOM 38 C CB . ARG A 0 6 . -22.560 0.013 21.776 1.00 86.91 6 A 1 ATOM 39 O O . ARG A 0 6 . -20.096 -0.999 23.625 1.00 86.91 6 A 1 ATOM 40 C CG . ARG A 0 6 . -23.208 0.421 20.440 1.00 86.91 6 A 1 ATOM 41 C CD . ARG A 0 6 . -24.318 1.439 20.683 1.00 86.91 6 A 1 ATOM 42 N NE . ARG A 0 6 . -24.875 1.976 19.432 1.00 86.91 6 A 1 ATOM 43 N NH1 . ARG A 0 6 . -25.801 3.841 20.366 1.00 86.91 6 A 1 ATOM 44 N NH2 . ARG A 0 6 . -25.849 3.576 18.143 1.00 86.91 6 A 1 ATOM 45 C CZ . ARG A 0 6 . -25.509 3.125 19.317 1.00 86.91 6 A 1 ATOM 46 N N . THR A 0 7 . -20.141 1.245 23.561 1.00 87.77 7 A 1 ATOM 47 C CA . THR A 0 7 . -19.515 1.515 24.857 1.00 87.77 7 A 1 ATOM 48 C C . THR A 0 7 . -20.308 2.556 25.659 1.00 87.77 7 A 1 ATOM 49 C CB . THR A 0 7 . -18.036 1.888 24.651 1.00 87.77 7 A 1 ATOM 50 O O . THR A 0 7 . -21.343 3.061 25.218 1.00 87.77 7 A 1 ATOM 51 C CG2 . THR A 0 7 . -17.797 3.256 24.013 1.00 87.77 7 A 1 ATOM 52 O OG1 . THR A 0 7 . -17.352 1.869 25.885 1.00 87.77 7 A 1 ATOM 53 N N . GLY A 0 8 . -19.843 2.850 26.871 1.00 86.40 8 A 1 ATOM 54 C CA . GLY A 0 8 . -20.479 3.773 27.807 1.00 86.40 8 A 1 ATOM 55 C C . GLY A 0 8 . -21.423 3.091 28.796 1.00 86.40 8 A 1 ATOM 56 O O . GLY A 0 8 . -21.825 1.938 28.637 1.00 86.40 8 A 1 ATOM 57 N N . GLN A 0 9 . -21.785 3.828 29.847 1.00 89.19 9 A 1 ATOM 58 C CA . GLN A 0 9 . -22.661 3.334 30.916 1.00 89.19 9 A 1 ATOM 59 C C . GLN A 0 9 . -24.066 2.974 30.404 1.00 89.19 9 A 1 ATOM 60 C CB . GLN A 0 9 . -22.712 4.407 32.015 1.00 89.19 9 A 1 ATOM 61 O O . GLN A 0 9 . -24.700 2.070 30.949 1.00 89.19 9 A 1 ATOM 62 C CG . GLN A 0 9 . -23.557 3.982 33.227 1.00 89.19 9 A 1 ATOM 63 C CD . GLN A 0 9 . -23.550 5.011 34.353 1.00 89.19 9 A 1 ATOM 64 N NE2 . GLN A 0 9 . -24.468 4.917 35.289 1.00 89.19 9 A 1 ATOM 65 O OE1 . GLN A 0 9 . -22.728 5.906 34.434 1.00 89.19 9 A 1 ATOM 66 N N . PHE A 0 10 . -24.531 3.653 29.351 1.00 90.68 10 A 1 ATOM 67 C CA . PHE A 0 10 . -25.843 3.442 28.738 1.00 90.68 10 A 1 ATOM 68 C C . PHE A 0 10 . -25.764 2.805 27.343 1.00 90.68 10 A 1 ATOM 69 C CB . PHE A 0 10 . -26.617 4.768 28.740 1.00 90.68 10 A 1 ATOM 70 O O . PHE A 0 10 . -26.782 2.727 26.659 1.00 90.68 10 A 1 ATOM 71 C CG . PHE A 0 10 . -26.780 5.377 30.120 1.00 90.68 10 A 1 ATOM 72 C CD1 . PHE A 0 10 . -27.639 4.775 31.059 1.00 90.68 10 A 1 ATOM 73 C CD2 . PHE A 0 10 . -26.059 6.532 30.474 1.00 90.68 10 A 1 ATOM 74 C CE1 . PHE A 0 10 . -27.781 5.327 32.344 1.00 90.68 10 A 1 ATOM 75 C CE2 . PHE A 0 10 . -26.196 7.082 31.761 1.00 90.68 10 A 1 ATOM 76 C CZ . PHE A 0 10 . -27.059 6.481 32.696 1.00 90.68 10 A 1 ATOM 77 N N . CYS A 0 11 . -24.588 2.313 26.926 1.00 86.74 11 A 1 ATOM 78 C CA . CYS A 0 11 . -24.367 1.724 25.599 1.00 86.74 11 A 1 ATOM 79 C C . CYS A 0 11 . -24.758 2.661 24.437 1.00 86.74 11 A 1 ATOM 80 C CB . CYS A 0 11 . -25.061 0.359 25.515 1.00 86.74 11 A 1 ATOM 81 O O . CYS A 0 11 . -25.223 2.228 23.383 1.00 86.74 11 A 1 ATOM 82 S SG . CYS A 0 11 . -24.705 -0.787 26.875 1.00 86.74 11 A 1 ATOM 83 N N . ASP A 0 12 . -24.619 3.963 24.642 1.00 86.07 12 A 1 ATOM 84 C CA . ASP A 0 12 . -25.006 5.030 23.726 1.00 86.07 12 A 1 ATOM 85 C C . ASP A 0 12 . -23.832 5.537 22.878 1.00 86.07 12 A 1 ATOM 86 C CB . ASP A 0 12 . -25.685 6.150 24.532 1.00 86.07 12 A 1 ATOM 87 O O . ASP A 0 12 . -24.054 6.145 21.831 1.00 86.07 12 A 1 ATOM 88 C CG . ASP A 0 12 . -24.853 6.737 25.687 1.00 86.07 12 A 1 ATOM 89 O OD1 . ASP A 0 12 . -24.071 5.990 26.331 1.00 86.07 12 A 1 ATOM 90 O OD2 . ASP A 0 12 . -25.044 7.937 25.967 1.00 86.07 12 A 1 ATOM 91 N N . GLN A 0 13 . -22.599 5.223 23.279 1.00 83.48 13 A 1 ATOM 92 C CA . GLN A 0 13 . -21.382 5.629 22.583 1.00 83.48 13 A 1 ATOM 93 C C . GLN A 0 13 . -20.936 4.547 21.602 1.00 83.48 13 A 1 ATOM 94 C CB . GLN A 0 13 . -20.282 5.947 23.602 1.00 83.48 13 A 1 ATOM 95 O O . GLN A 0 13 . -20.984 3.357 21.918 1.00 83.48 13 A 1 ATOM 96 C CG . GLN A 0 13 . -20.698 7.072 24.562 1.00 83.48 13 A 1 ATOM 97 C CD . GLN A 0 13 . -19.663 7.361 25.641 1.00 83.48 13 A 1 ATOM 98 N NE2 . GLN A 0 13 . -20.007 8.186 26.604 1.00 83.48 13 A 1 ATOM 99 O OE1 . GLN A 0 13 . -18.550 6.863 25.666 1.00 83.48 13 A 1 ATOM 100 N N . ASN A 0 14 . -20.484 4.957 20.420 1.00 81.48 14 A 1 ATOM 101 C CA . ASN A 0 14 . -19.852 4.049 19.472 1.00 81.48 14 A 1 ATOM 102 C C . ASN A 0 14 . -18.401 3.787 19.891 1.00 81.48 14 A 1 ATOM 103 C CB . ASN A 0 14 . -19.953 4.635 18.055 1.00 81.48 14 A 1 ATOM 104 O O . ASN A 0 14 . -17.726 4.693 20.388 1.00 81.48 14 A 1 ATOM 105 C CG . ASN A 0 14 . -19.977 3.550 17.001 1.00 81.48 14 A 1 ATOM 106 N ND2 . ASN A 0 14 . -19.519 3.838 15.818 1.00 81.48 14 A 1 ATOM 107 O OD1 . ASN A 0 14 . -20.492 2.469 17.223 1.00 81.48 14 A 1 ATOM 108 N N . ILE A 0 15 . -17.930 2.556 19.727 1.00 82.32 15 A 1 ATOM 109 C CA . ILE A 0 15 . -16.511 2.239 19.880 1.00 82.32 15 A 1 ATOM 110 C C . ILE A 0 15 . -15.786 2.857 18.687 1.00 82.32 15 A 1 ATOM 111 C CB . ILE A 0 15 . -16.297 0.714 19.996 1.00 82.32 15 A 1 ATOM 112 O O . ILE A 0 15 . -16.175 2.628 17.555 1.00 82.32 15 A 1 ATOM 113 C CG1 . ILE A 0 15 . -16.915 0.223 21.327 1.00 82.32 15 A 1 ATOM 114 C CG2 . ILE A 0 15 . -14.799 0.360 19.934 1.00 82.32 15 A 1 ATOM 115 C CD1 . ILE A 0 15 . -16.920 -1.299 21.509 1.00 82.32 15 A 1 ATOM 116 N N . GLY A 0 16 . -14.756 3.662 18.956 1.00 79.08 16 A 1 ATOM 117 C CA . GLY A 0 16 . -13.934 4.252 17.904 1.00 79.08 16 A 1 ATOM 118 C C . GLY A 0 16 . -13.045 3.193 17.256 1.00 79.08 16 A 1 ATOM 119 O O . GLY A 0 16 . -11.923 2.963 17.712 1.00 79.08 16 A 1 ATOM 120 N N . ASP A 0 17 . -13.524 2.577 16.185 1.00 80.70 17 A 1 ATOM 121 C CA . ASP A 0 17 . -12.845 1.519 15.438 1.00 80.70 17 A 1 ATOM 122 C C . ASP A 0 17 . -11.708 2.063 14.551 1.00 80.70 17 A 1 ATOM 123 C CB . ASP A 0 17 . -13.903 0.732 14.644 1.00 80.70 17 A 1 ATOM 124 O O . ASP A 0 17 . -10.856 1.312 14.067 1.00 80.70 17 A 1 ATOM 125 C CG . ASP A 0 17 . -14.768 -0.142 15.564 1.00 80.70 17 A 1 ATOM 126 O OD1 . ASP A 0 17 . -14.149 -0.837 16.410 1.00 80.70 17 A 1 ATOM 127 O OD2 . ASP A 0 17 . -16.004 -0.175 15.389 1.00 80.70 17 A 1 ATOM 128 N N . CYS A 0 18 . -11.631 3.389 14.403 1.00 81.98 18 A 1 ATOM 129 C CA . CYS A 0 18 . -10.721 4.090 13.499 1.00 81.98 18 A 1 ATOM 130 C C . CYS A 0 18 . -9.253 4.251 13.934 1.00 81.98 18 A 1 ATOM 131 C CB . CYS A 0 18 . -11.356 5.437 13.131 1.00 81.98 18 A 1 ATOM 132 O O . CYS A 0 18 . -8.478 4.917 13.241 1.00 81.98 18 A 1 ATOM 133 S SG . CYS A 0 18 . -12.372 5.306 11.655 1.00 81.98 18 A 1 ATOM 134 N N . VAL A 0 19 . -8.822 3.661 15.047 1.00 78.42 19 A 1 ATOM 135 C CA . VAL A 0 19 . -7.448 3.850 15.545 1.00 78.42 19 A 1 ATOM 136 C C . VAL A 0 19 . -6.423 3.168 14.621 1.00 78.42 19 A 1 ATOM 137 C CB . VAL A 0 19 . -7.316 3.393 17.009 1.00 78.42 19 A 1 ATOM 138 O O . VAL A 0 19 . -6.322 1.943 14.589 1.00 78.42 19 A 1 ATOM 139 C CG1 . VAL A 0 19 . -5.913 3.697 17.554 1.00 78.42 19 A 1 ATOM 140 C CG2 . VAL A 0 19 . -8.326 4.120 17.911 1.00 78.42 19 A 1 ATOM 141 N N . ASP A 0 20 . -5.665 3.982 13.872 1.00 79.19 20 A 1 ATOM 142 C CA . ASP A 0 20 . -4.527 3.614 13.000 1.00 79.19 20 A 1 ATOM 143 C C . ASP A 0 20 . -4.808 2.514 11.946 1.00 79.19 20 A 1 ATOM 144 C CB . ASP A 0 20 . -3.263 3.374 13.850 1.00 79.19 20 A 1 ATOM 145 O O . ASP A 0 20 . -3.908 1.805 11.478 1.00 79.19 20 A 1 ATOM 146 C CG . ASP A 0 20 . -1.973 3.398 13.017 1.00 79.19 20 A 1 ATOM 147 O OD1 . ASP A 0 20 . -1.898 4.186 12.050 1.00 79.19 20 A 1 ATOM 148 O OD2 . ASP A 0 20 . -1.071 2.573 13.283 1.00 79.19 20 A 1 ATOM 149 N N . LYS A 0 21 . -6.079 2.364 11.553 1.00 87.02 21 A 1 ATOM 150 C CA . LYS A 0 21 . -6.510 1.365 10.563 1.00 87.02 21 A 1 ATOM 151 C C . LYS A 0 21 . -6.094 1.745 9.144 1.00 87.02 21 A 1 ATOM 152 C CB . LYS A 0 21 . -8.032 1.168 10.623 1.00 87.02 21 A 1 ATOM 153 O O . LYS A 0 21 . -5.519 0.918 8.445 1.00 87.02 21 A 1 ATOM 154 C CG . LYS A 0 21 . -8.586 0.628 11.944 1.00 87.02 21 A 1 ATOM 155 C CD . LYS A 0 21 . -8.225 -0.833 12.229 1.00 87.02 21 A 1 ATOM 156 C CE . LYS A 0 21 . -8.972 -1.240 13.501 1.00 87.02 21 A 1 ATOM 157 N NZ . LYS A 0 21 . -8.689 -2.637 13.903 1.00 87.02 21 A 1 ATOM 158 N N . CYS A 0 22 . -6.390 2.972 8.718 1.00 90.70 22 A 1 ATOM 159 C CA . CYS A 0 22 . -6.152 3.417 7.347 1.00 90.70 22 A 1 ATOM 160 C C . CYS A 0 22 . -4.687 3.815 7.142 1.00 90.70 22 A 1 ATOM 161 C CB . CYS A 0 22 . -7.100 4.566 6.994 1.00 90.70 22 A 1 ATOM 162 O O . CYS A 0 22 . -4.156 4.665 7.855 1.00 90.70 22 A 1 ATOM 163 S SG . CYS A 0 22 . -8.835 4.244 7.382 1.00 90.70 22 A 1 ATOM 164 N N . LYS A 0 23 . -4.035 3.200 6.159 1.00 88.96 23 A 1 ATOM 165 C CA . LYS A 0 23 . -2.645 3.438 5.771 1.00 88.96 23 A 1 ATOM 166 C C . LYS A 0 23 . -2.558 4.458 4.638 1.00 88.96 23 A 1 ATOM 167 C CB . LYS A 0 23 . -1.974 2.087 5.439 1.00 88.96 23 A 1 ATOM 168 O O . LYS A 0 23 . -3.569 4.914 4.108 1.00 88.96 23 A 1 ATOM 169 C CG . LYS A 0 23 . -1.990 1.069 6.602 1.00 88.96 23 A 1 ATOM 170 C CD . LYS A 0 23 . -1.425 1.651 7.914 1.00 88.96 23 A 1 ATOM 171 C CE . LYS A 0 23 . -1.400 0.650 9.077 1.00 88.96 23 A 1 ATOM 172 N NZ . LYS A 0 23 . -1.260 1.354 10.389 1.00 88.96 23 A 1 ATOM 173 N N . ASN A 0 24 . -1.329 4.864 4.320 1.00 85.73 24 A 1 ATOM 174 C CA . ASN A 0 24 . -1.004 5.740 3.190 1.00 85.73 24 A 1 ATOM 175 C C . ASN A 0 24 . -1.788 7.069 3.149 1.00 85.73 24 A 1 ATOM 176 C CB . ASN A 0 24 . -1.079 4.913 1.893 1.00 85.73 24 A 1 ATOM 177 O O . ASN A 0 24 . -2.043 7.608 2.080 1.00 85.73 24 A 1 ATOM 178 C CG . ASN A 0 24 . -0.097 3.756 1.911 1.00 85.73 24 A 1 ATOM 179 N ND2 . ASN A 0 24 . -0.532 2.552 1.635 1.00 85.73 24 A 1 ATOM 180 O OD1 . ASN A 0 24 . 1.066 3.925 2.240 1.00 85.73 24 A 1 ATOM 181 N N . GLY A 0 25 . -2.175 7.613 4.310 1.00 85.48 25 A 1 ATOM 182 C CA . GLY A 0 25 . -2.950 8.858 4.393 1.00 85.48 25 A 1 ATOM 183 C C . GLY A 0 25 . -4.454 8.698 4.142 1.00 85.48 25 A 1 ATOM 184 O O . GLY A 0 25 . -5.140 9.695 3.929 1.00 85.48 25 A 1 ATOM 185 N N . GLY A 0 26 . -4.981 7.469 4.164 1.00 89.16 26 A 1 ATOM 186 C CA . GLY A 0 26 . -6.419 7.216 4.090 1.00 89.16 26 A 1 ATOM 187 C C . GLY A 0 26 . -7.191 7.855 5.245 1.00 89.16 26 A 1 ATOM 188 O O . GLY A 0 26 . -6.749 7.848 6.394 1.00 89.16 26 A 1 ATOM 189 N N . THR A 0 27 . -8.367 8.402 4.937 1.00 90.95 27 A 1 ATOM 190 C CA . THR A 0 27 . -9.267 8.979 5.944 1.00 90.95 27 A 1 ATOM 191 C C . THR A 0 27 . -10.154 7.883 6.515 1.00 90.95 27 A 1 ATOM 192 C CB . THR A 0 27 . -10.114 10.112 5.357 1.00 90.95 27 A 1 ATOM 193 O O . THR A 0 27 . -10.847 7.198 5.763 1.00 90.95 27 A 1 ATOM 194 C CG2 . THR A 0 27 . -11.032 10.759 6.396 1.00 90.95 27 A 1 ATOM 195 O OG1 . THR A 0 27 . -9.250 11.120 4.887 1.00 90.95 27 A 1 ATOM 196 N N . CYS A 0 28 . -10.137 7.714 7.836 1.00 92.44 28 A 1 ATOM 197 C CA . CYS A 0 28 . -10.956 6.710 8.501 1.00 92.44 28 A 1 ATOM 198 C C . CYS A 0 28 . -12.349 7.239 8.844 1.00 92.44 28 A 1 ATOM 199 C CB . CYS A 0 28 . -10.236 6.174 9.736 1.00 92.44 28 A 1 ATOM 200 O O . CYS A 0 28 . -12.486 8.338 9.385 1.00 92.44 28 A 1 ATOM 201 S SG . CYS A 0 28 . -11.000 4.646 10.313 1.00 92.44 28 A 1 ATOM 202 N N . HIS A 0 29 . -13.365 6.426 8.566 1.00 90.56 29 A 1 ATOM 203 C CA . HIS A 0 29 . -14.753 6.678 8.919 1.00 90.56 29 A 1 ATOM 204 C C . HIS A 0 29 . -15.254 5.586 9.862 1.00 90.56 29 A 1 ATOM 205 C CB . HIS A 0 29 . -15.585 6.735 7.644 1.00 90.56 29 A 1 ATOM 206 O O . HIS A 0 29 . -15.305 4.409 9.502 1.00 90.56 29 A 1 ATOM 207 C CG . HIS A 0 29 . -15.146 7.814 6.695 1.00 90.56 29 A 1 ATOM 208 C CD2 . HIS A 0 29 . -14.328 7.651 5.612 1.00 90.56 29 A 1 ATOM 209 N ND1 . HIS A 0 29 . -15.462 9.148 6.774 1.00 90.56 29 A 1 ATOM 210 C CE1 . HIS A 0 29 . -14.855 9.776 5.755 1.00 90.56 29 A 1 ATOM 211 N NE2 . HIS A 0 29 . -14.161 8.904 5.006 1.00 90.56 29 A 1 ATOM 212 N N . ASP A 0 30 . -15.609 6.011 11.070 1.00 87.58 30 A 1 ATOM 213 C CA . ASP A 0 30 . -16.127 5.156 12.131 1.00 87.58 30 A 1 ATOM 214 C C . ASP A 0 30 . -17.582 4.765 11.837 1.00 87.58 30 A 1 ATOM 215 C CB . ASP A 0 30 . -15.999 5.926 13.450 1.00 87.58 30 A 1 ATOM 216 O O . ASP A 0 30 . -18.405 5.623 11.498 1.00 87.58 30 A 1 ATOM 217 C CG . ASP A 0 30 . -16.174 5.023 14.660 1.00 87.58 30 A 1 ATOM 218 O OD1 . ASP A 0 30 . -15.256 4.196 14.833 1.00 87.58 30 A 1 ATOM 219 O OD2 . ASP A 0 30 . -17.140 5.251 15.428 1.00 87.58 30 A 1 ATOM 220 N N . LEU A 0 31 . -17.893 3.476 11.943 1.00 85.26 31 A 1 ATOM 221 C CA . LEU A 0 31 . -19.233 2.914 11.799 1.00 85.26 31 A 1 ATOM 222 C C . LEU A 0 31 . -19.590 2.117 13.057 1.00 85.26 31 A 1 ATOM 223 C CB . LEU A 0 31 . -19.314 2.017 10.549 1.00 85.26 31 A 1 ATOM 224 O O . LEU A 0 31 . -18.786 1.937 13.962 1.00 85.26 31 A 1 ATOM 225 C CG . LEU A 0 31 . -19.098 2.702 9.193 1.00 85.26 31 A 1 ATOM 226 C CD1 . LEU A 0 31 . -19.130 1.617 8.112 1.00 85.26 31 A 1 ATOM 227 C CD2 . LEU A 0 31 . -20.205 3.715 8.890 1.00 85.26 31 A 1 ATOM 228 N N . LEU A 0 32 . -20.832 1.651 13.145 1.00 85.66 32 A 1 ATOM 229 C CA . LEU A 0 32 . -21.253 0.815 14.263 1.00 85.66 32 A 1 ATOM 230 C C . LEU A 0 32 . -20.623 -0.584 14.156 1.00 85.66 32 A 1 ATOM 231 C CB . LEU A 0 32 . -22.790 0.752 14.281 1.00 85.66 32 A 1 ATOM 232 O O . LEU A 0 32 . -21.038 -1.345 13.285 1.00 85.66 32 A 1 ATOM 233 C CG . LEU A 0 32 . -23.292 0.186 15.617 1.00 85.66 32 A 1 ATOM 234 C CD1 . LEU A 0 32 . -23.489 1.309 16.632 1.00 85.66 32 A 1 ATOM 235 C CD2 . LEU A 0 32 . -24.644 -0.508 15.453 1.00 85.66 32 A 1 ATOM 236 N N . ASP A 0 33 . -19.696 -0.917 15.062 1.00 83.24 33 A 1 ATOM 237 C CA . ASP A 0 33 . -18.954 -2.199 15.077 1.00 83.24 33 A 1 ATOM 238 C C . ASP A 0 33 . -18.138 -2.451 13.793 1.00 83.24 33 A 1 ATOM 239 C CB . ASP A 0 33 . -19.913 -3.364 15.418 1.00 83.24 33 A 1 ATOM 240 O O . ASP A 0 33 . -17.862 -3.594 13.422 1.00 83.24 33 A 1 ATOM 241 C CG . ASP A 0 33 . -19.240 -4.616 16.003 1.00 83.24 33 A 1 ATOM 242 O OD1 . ASP A 0 33 . -18.376 -4.476 16.903 1.00 83.24 33 A 1 ATOM 243 O OD2 . ASP A 0 33 . -19.729 -5.733 15.708 1.00 83.24 33 A 1 ATOM 244 N N . ASP A 0 34 . -17.798 -1.386 13.067 1.00 87.89 34 A 1 ATOM 245 C CA . ASP A 0 34 . -17.002 -1.457 11.849 1.00 87.89 34 A 1 ATOM 246 C C . ASP A 0 34 . -16.354 -0.099 11.552 1.00 87.89 34 A 1 ATOM 247 C CB . ASP A 0 34 . -17.866 -1.941 10.655 1.00 87.89 34 A 1 ATOM 248 O O . ASP A 0 34 . -16.639 0.928 12.162 1.00 87.89 34 A 1 ATOM 249 C CG . ASP A 0 34 . -17.049 -2.601 9.528 1.00 87.89 34 A 1 ATOM 250 O OD1 . ASP A 0 34 . -15.797 -2.668 9.618 1.00 87.89 34 A 1 ATOM 251 O OD2 . ASP A 0 34 . -17.654 -3.075 8.539 1.00 87.89 34 A 1 ATOM 252 N N . PHE A 0 35 . -15.498 -0.069 10.545 1.00 90.15 35 A 1 ATOM 253 C CA . PHE A 0 35 . -14.945 1.150 9.984 1.00 90.15 35 A 1 ATOM 254 C C . PHE A 0 35 . -14.720 0.948 8.486 1.00 90.15 35 A 1 ATOM 255 C CB . PHE A 0 35 . -13.640 1.525 10.712 1.00 90.15 35 A 1 ATOM 256 O O . PHE A 0 35 . -14.559 -0.174 7.992 1.00 90.15 35 A 1 ATOM 257 C CG . PHE A 0 35 . -12.510 0.563 10.410 1.00 90.15 35 A 1 ATOM 258 C CD1 . PHE A 0 35 . -12.480 -0.694 11.040 1.00 90.15 35 A 1 ATOM 259 C CD2 . PHE A 0 35 . -11.612 0.852 9.365 1.00 90.15 35 A 1 ATOM 260 C CE1 . PHE A 0 35 . -11.630 -1.700 10.560 1.00 90.15 35 A 1 ATOM 261 C CE2 . PHE A 0 35 . -10.765 -0.155 8.877 1.00 90.15 35 A 1 ATOM 262 C CZ . PHE A 0 35 . -10.819 -1.438 9.446 1.00 90.15 35 A 1 ATOM 263 N N . TYR A 0 36 . -14.630 2.051 7.752 1.00 91.94 36 A 1 ATOM 264 C CA . TYR A 0 36 . -14.122 2.019 6.386 1.00 91.94 36 A 1 ATOM 265 C C . TYR A 0 36 . -13.122 3.143 6.145 1.00 91.94 36 A 1 ATOM 266 C CB . TYR A 0 36 . -15.270 2.014 5.371 1.00 91.94 36 A 1 ATOM 267 O O . TYR A 0 36 . -13.181 4.209 6.760 1.00 91.94 36 A 1 ATOM 268 C CG . TYR A 0 36 . -15.973 3.344 5.199 1.00 91.94 36 A 1 ATOM 269 C CD1 . TYR A 0 36 . -16.999 3.714 6.084 1.00 91.94 36 A 1 ATOM 270 C CD2 . TYR A 0 36 . -15.584 4.219 4.166 1.00 91.94 36 A 1 ATOM 271 C CE1 . TYR A 0 36 . -17.675 4.937 5.917 1.00 91.94 36 A 1 ATOM 272 C CE2 . TYR A 0 36 . -16.229 5.460 4.017 1.00 91.94 36 A 1 ATOM 273 O OH . TYR A 0 36 . -17.875 7.033 4.769 1.00 91.94 36 A 1 ATOM 274 C CZ . TYR A 0 36 . -17.279 5.818 4.891 1.00 91.94 36 A 1 ATOM 275 N N . CYS A 0 37 . -12.188 2.892 5.233 1.00 94.16 37 A 1 ATOM 276 C CA . CYS A 0 37 . -11.181 3.858 4.830 1.00 94.16 37 A 1 ATOM 277 C C . CYS A 0 37 . -11.540 4.464 3.475 1.00 94.16 37 A 1 ATOM 278 C CB . CYS A 0 37 . -9.817 3.169 4.800 1.00 94.16 37 A 1 ATOM 279 O O . CYS A 0 37 . -11.764 3.743 2.503 1.00 94.16 37 A 1 ATOM 280 S SG . CYS A 0 37 . -9.269 2.538 6.400 1.00 94.16 37 A 1 ATOM 281 N N . THR A 0 38 . -11.543 5.792 3.393 1.00 94.40 38 A 1 ATOM 282 C CA . THR A 0 38 . -11.526 6.501 2.112 1.00 94.40 38 A 1 ATOM 283 C C . THR A 0 38 . -10.073 6.675 1.690 1.00 94.40 38 A 1 ATOM 284 C CB . THR A 0 38 . -12.255 7.846 2.188 1.00 94.40 38 A 1 ATOM 285 O O . THR A 0 38 . -9.317 7.418 2.324 1.00 94.40 38 A 1 ATOM 286 C CG2 . THR A 0 38 . -12.302 8.541 0.826 1.00 94.40 38 A 1 ATOM 287 O OG1 . THR A 0 38 . -13.595 7.632 2.562 1.00 94.40 38 A 1 ATOM 288 N N . CYS A 0 39 . -9.675 5.959 0.640 1.00 89.42 39 A 1 ATOM 289 C CA . CYS A 0 39 . -8.296 5.947 0.167 1.00 89.42 39 A 1 ATOM 290 C C . CYS A 0 39 . -7.977 7.153 -0.722 1.00 89.42 39 A 1 ATOM 291 C CB . CYS A 0 39 . -7.991 4.617 -0.528 1.00 89.42 39 A 1 ATOM 292 O O . CYS A 0 39 . -8.831 7.567 -1.513 1.00 89.42 39 A 1 ATOM 293 S SG . CYS A 0 39 . -8.357 3.182 0.511 1.00 89.42 39 A 1 ATOM 294 N N . PRO A 0 40 . -6.756 7.714 -0.629 1.00 87.19 40 A 1 ATOM 295 C CA . PRO A 0 40 . -6.296 8.708 -1.585 1.00 87.19 40 A 1 ATOM 296 C C . PRO A 0 40 . -6.196 8.101 -2.988 1.00 87.19 40 A 1 ATOM 297 C CB . PRO A 0 40 . -4.931 9.200 -1.088 1.00 87.19 40 A 1 ATOM 298 O O . PRO A 0 40 . -6.119 6.882 -3.161 1.00 87.19 40 A 1 ATOM 299 C CG . PRO A 0 40 . -4.802 8.636 0.324 1.00 87.19 40 A 1 ATOM 300 C CD . PRO A 0 40 . -5.686 7.398 0.302 1.00 87.19 40 A 1 ATOM 301 N N . ILE A 0 41 . -6.156 8.968 -4.001 1.00 81.54 41 A 1 ATOM 302 C CA . ILE A 0 41 . -5.907 8.557 -5.387 1.00 81.54 41 A 1 ATOM 303 C C . ILE A 0 41 . -4.601 7.749 -5.442 1.00 81.54 41 A 1 ATOM 304 C CB . ILE A 0 41 . -5.864 9.790 -6.320 1.00 81.54 41 A 1 ATOM 305 O O . ILE A 0 41 . -3.603 8.154 -4.852 1.00 81.54 41 A 1 ATOM 306 C CG1 . ILE A 0 41 . -7.228 10.525 -6.305 1.00 81.54 41 A 1 ATOM 307 C CG2 . ILE A 0 41 . -5.488 9.381 -7.757 1.00 81.54 41 A 1 ATOM 308 C CD1 . ILE A 0 41 . -7.227 11.870 -7.043 1.00 81.54 41 A 1 ATOM 309 N N . GLY A 0 42 . -4.624 6.609 -6.137 1.00 74.22 42 A 1 ATOM 310 C CA . GLY A 0 42 . -3.476 5.702 -6.241 1.00 74.22 42 A 1 ATOM 311 C C . GLY A 0 42 . -3.432 4.598 -5.181 1.00 74.22 42 A 1 ATOM 312 O O . GLY A 0 42 . -2.610 3.700 -5.307 1.00 74.22 42 A 1 ATOM 313 N N . PHE A 0 43 . -4.342 4.579 -4.201 1.00 83.58 43 A 1 ATOM 314 C CA . PHE A 0 43 . -4.420 3.518 -3.190 1.00 83.58 43 A 1 ATOM 315 C C . PHE A 0 43 . -5.777 2.812 -3.182 1.00 83.58 43 A 1 ATOM 316 C CB . PHE A 0 43 . -4.070 4.073 -1.806 1.00 83.58 43 A 1 ATOM 317 O O . PHE A 0 43 . -6.813 3.396 -3.498 1.00 83.58 43 A 1 ATOM 318 C CG . PHE A 0 43 . -2.665 4.628 -1.731 1.00 83.58 43 A 1 ATOM 319 C CD1 . PHE A 0 43 . -1.581 3.764 -1.490 1.00 83.58 43 A 1 ATOM 320 C CD2 . PHE A 0 43 . -2.435 5.994 -1.975 1.00 83.58 43 A 1 ATOM 321 C CE1 . PHE A 0 43 . -0.270 4.266 -1.493 1.00 83.58 43 A 1 ATOM 322 C CE2 . PHE A 0 43 . -1.124 6.497 -1.978 1.00 83.58 43 A 1 ATOM 323 C CZ . PHE A 0 43 . -0.043 5.629 -1.741 1.00 83.58 43 A 1 ATOM 324 N N . GLU A 0 44 . -5.770 1.541 -2.802 1.00 84.19 44 A 1 ATOM 325 C CA . GLU A 0 44 . -6.952 0.701 -2.645 1.00 84.19 44 A 1 ATOM 326 C C . GLU A 0 44 . -6.753 -0.343 -1.531 1.00 84.19 44 A 1 ATOM 327 C CB . GLU A 0 44 . -7.338 0.091 -4.007 1.00 84.19 44 A 1 ATOM 328 O O . GLU A 0 44 . -5.749 -0.336 -0.819 1.00 84.19 44 A 1 ATOM 329 C CG . GLU A 0 44 . -6.323 -0.887 -4.622 1.00 84.19 44 A 1 ATOM 330 C CD . GLU A 0 44 . -6.757 -1.360 -6.018 1.00 84.19 44 A 1 ATOM 331 O OE1 . GLU A 0 44 . -5.884 -1.710 -6.837 1.00 84.19 44 A 1 ATOM 332 O OE2 . GLU A 0 44 . -7.970 -1.278 -6.341 1.00 84.19 44 A 1 ATOM 333 N N . GLY A 0 45 . -7.737 -1.222 -1.346 1.00 85.94 45 A 1 ATOM 334 C CA . GLY A 0 45 . -7.795 -2.144 -0.210 1.00 85.94 45 A 1 ATOM 335 C C . GLY A 0 45 . -8.640 -1.599 0.941 1.00 85.94 45 A 1 ATOM 336 O O . GLY A 0 45 . -9.022 -0.427 0.961 1.00 85.94 45 A 1 ATOM 337 N N . ARG A 0 46 . -8.979 -2.467 1.902 1.00 88.65 46 A 1 ATOM 338 C CA . ARG A 0 46 . -9.851 -2.100 3.038 1.00 88.65 46 A 1 ATOM 339 C C . ARG A 0 46 . -9.195 -1.057 3.942 1.00 88.65 46 A 1 ATOM 340 C CB . ARG A 0 46 . -10.229 -3.365 3.831 1.00 88.65 46 A 1 ATOM 341 O O . ARG A 0 46 . -9.888 -0.263 4.573 1.00 88.65 46 A 1 ATOM 342 C CG . ARG A 0 46 . -11.128 -3.051 5.042 1.00 88.65 46 A 1 ATOM 343 C CD . ARG A 0 46 . -11.609 -4.325 5.741 1.00 88.65 46 A 1 ATOM 344 N NE . ARG A 0 46 . -12.571 -4.018 6.823 1.00 88.65 46 A 1 ATOM 345 N NH1 . ARG A 0 46 . -13.684 -6.026 6.835 1.00 88.65 46 A 1 ATOM 346 N NH2 . ARG A 0 46 . -14.343 -4.424 8.212 1.00 88.65 46 A 1 ATOM 347 C CZ . ARG A 0 46 . -13.521 -4.812 7.286 1.00 88.65 46 A 1 ATOM 348 N N . TYR A 0 47 . -7.872 -1.079 3.996 1.00 90.04 47 A 1 ATOM 349 C CA . TYR A 0 47 . -7.029 -0.243 4.832 1.00 90.04 47 A 1 ATOM 350 C C . TYR A 0 47 . -6.214 0.751 3.998 1.00 90.04 47 A 1 ATOM 351 C CB . TYR A 0 47 . -6.122 -1.151 5.677 1.00 90.04 47 A 1 ATOM 352 O O . TYR A 0 47 . -5.322 1.386 4.550 1.00 90.04 47 A 1 ATOM 353 C CG . TYR A 0 47 . -6.858 -2.211 6.472 1.00 90.04 47 A 1 ATOM 354 C CD1 . TYR A 0 47 . -7.362 -1.897 7.744 1.00 90.04 47 A 1 ATOM 355 C CD2 . TYR A 0 47 . -7.021 -3.510 5.952 1.00 90.04 47 A 1 ATOM 356 C CE1 . TYR A 0 47 . -8.009 -2.883 8.506 1.00 90.04 47 A 1 ATOM 357 C CE2 . TYR A 0 47 . -7.727 -4.482 6.688 1.00 90.04 47 A 1 ATOM 358 O OH . TYR A 0 47 . -8.960 -5.080 8.657 1.00 90.04 47 A 1 ATOM 359 C CZ . TYR A 0 47 . -8.239 -4.162 7.961 1.00 90.04 47 A 1 ATOM 360 N N . CYS A 0 48 . -6.489 0.909 2.697 1.00 89.72 48 A 1 ATOM 361 C CA . CYS A 0 48 . -5.662 1.699 1.772 1.00 89.72 48 A 1 ATOM 362 C C . CYS A 0 48 . -4.201 1.229 1.714 1.00 89.72 48 A 1 ATOM 363 C CB . CYS A 0 48 . -5.800 3.191 2.085 1.00 89.72 48 A 1 ATOM 364 O O . CYS A 0 48 . -3.277 2.022 1.531 1.00 89.72 48 A 1 ATOM 365 S SG . CYS A 0 48 . -7.515 3.703 2.291 1.00 89.72 48 A 1 ATOM 366 N N . GLU A 0 49 . -3.996 -0.064 1.937 1.00 85.32 49 A 1 ATOM 367 C CA . GLU A 0 49 . -2.706 -0.731 2.019 1.00 85.32 49 A 1 ATOM 368 C C . GLU A 0 49 . -2.130 -1.093 0.649 1.00 85.32 49 A 1 ATOM 369 C CB . GLU A 0 49 . -2.823 -1.966 2.938 1.00 85.32 49 A 1 ATOM 370 O O . GLU A 0 49 . -0.927 -1.298 0.542 1.00 85.32 49 A 1 ATOM 371 C CG . GLU A 0 49 . -3.589 -3.203 2.406 1.00 85.32 49 A 1 ATOM 372 C CD . GLU A 0 49 . -5.134 -3.140 2.436 1.00 85.32 49 A 1 ATOM 373 O OE1 . GLU A 0 49 . -5.791 -4.199 2.333 1.00 85.32 49 A 1 ATOM 374 O OE2 . GLU A 0 49 . -5.724 -2.050 2.582 1.00 85.32 49 A 1 ATOM 375 N N . ILE A 0 50 . -2.970 -1.159 -0.385 1.00 78.59 50 A 1 ATOM 376 C CA . ILE A 0 50 . -2.569 -1.544 -1.738 1.00 78.59 50 A 1 ATOM 377 C C . ILE A 0 50 . -2.286 -0.278 -2.534 1.00 78.59 50 A 1 ATOM 378 C CB . ILE A 0 50 . -3.666 -2.395 -2.418 1.00 78.59 50 A 1 ATOM 379 O O . ILE A 0 50 . -3.167 0.571 -2.672 1.00 78.59 50 A 1 ATOM 380 C CG1 . ILE A 0 50 . -4.057 -3.616 -1.551 1.00 78.59 50 A 1 ATOM 381 C CG2 . ILE A 0 50 . -3.220 -2.819 -3.831 1.00 78.59 50 A 1 ATOM 382 C CD1 . ILE A 0 50 . -5.215 -4.450 -2.110 1.00 78.59 50 A 1 ATOM 383 N N . ASN A 0 51 . -1.099 -0.156 -3.122 1.00 74.10 51 A 1 ATOM 384 C CA . ASN A 0 51 . -0.854 0.873 -4.118 1.00 74.10 51 A 1 ATOM 385 C C . ASN A 0 51 . -1.330 0.389 -5.500 1.00 74.10 51 A 1 ATOM 386 C CB . ASN A 0 51 . 0.624 1.248 -4.073 1.00 74.10 51 A 1 ATOM 387 O O . ASN A 0 51 . -0.782 -0.554 -6.092 1.00 74.10 51 A 1 ATOM 388 C CG . ASN A 0 51 . 0.903 2.550 -4.766 1.00 74.10 51 A 1 ATOM 389 N ND2 . ASN A 0 51 . 1.858 3.290 -4.276 1.00 74.10 51 A 1 ATOM 390 O OD1 . ASN A 0 51 . 0.303 2.891 -5.770 1.00 74.10 51 A 1 ATOM 391 N N . ARG A 0 52 . -2.364 1.049 -6.038 1.00 67.00 52 A 1 ATOM 392 C CA . ARG A 0 52 . -2.892 0.790 -7.388 1.00 67.00 52 A 1 ATOM 393 C C . ARG A 0 52 . -1.830 0.956 -8.442 1.00 67.00 52 A 1 ATOM 394 C CB . ARG A 0 52 . -4.028 1.768 -7.755 1.00 67.00 52 A 1 ATOM 395 O O . ARG A 0 52 . -1.832 0.232 -9.442 1.00 67.00 52 A 1 ATOM 396 C CG . ARG A 0 52 . -5.339 1.025 -7.658 1.00 67.00 52 A 1 ATOM 397 C CD . ARG A 0 52 . -6.559 1.745 -8.212 1.00 67.00 52 A 1 ATOM 398 N NE . ARG A 0 52 . -7.719 0.867 -8.012 1.00 67.00 52 A 1 ATOM 399 N NH1 . ARG A 0 52 . -8.886 1.147 -9.960 1.00 67.00 52 A 1 ATOM 400 N NH2 . ARG A 0 52 . -9.513 -0.387 -8.439 1.00 67.00 52 A 1 ATOM 401 C CZ . ARG A 0 52 . -8.704 0.556 -8.813 1.00 67.00 52 A 1 ATOM 402 N N . GLU A 0 53 . -0.961 1.936 -8.240 1.00 61.16 53 A 1 ATOM 403 C CA . GLU A 0 53 . -0.015 2.286 -9.269 1.00 61.16 53 A 1 ATOM 404 C C . GLU A 0 53 . 0.970 1.142 -9.489 1.00 61.16 53 A 1 ATOM 405 C CB . GLU A 0 53 . 0.661 3.619 -8.997 1.00 61.16 53 A 1 ATOM 406 O O . GLU A 0 53 . 1.180 0.789 -10.634 1.00 61.16 53 A 1 ATOM 407 C CG . GLU A 0 53 . -0.284 4.808 -8.771 1.00 61.16 53 A 1 ATOM 408 C CD . GLU A 0 53 . 0.421 6.146 -9.055 1.00 61.16 53 A 1 ATOM 409 O OE1 . GLU A 0 53 . -0.090 6.895 -9.917 1.00 61.16 53 A 1 ATOM 410 O OE2 . GLU A 0 53 . 1.480 6.406 -8.443 1.00 61.16 53 A 1 ATOM 411 N N . CYS A 0 54 . 1.430 0.426 -8.458 1.00 59.43 54 A 1 ATOM 412 C CA . CYS A 0 54 . 2.277 -0.760 -8.656 1.00 59.43 54 A 1 ATOM 413 C C . CYS A 0 54 . 1.496 -1.988 -9.168 1.00 59.43 54 A 1 ATOM 414 C CB . CYS A 0 54 . 3.046 -1.049 -7.357 1.00 59.43 54 A 1 ATOM 415 O O . CYS A 0 54 . 1.975 -2.727 -10.035 1.00 59.43 54 A 1 ATOM 416 S SG . CYS A 0 54 . 4.826 -0.933 -7.700 1.00 59.43 54 A 1 ATOM 417 N N . SER A 0 55 . 0.259 -2.184 -8.695 1.00 61.78 55 A 1 ATOM 418 C CA . SER A 0 55 . -0.596 -3.321 -9.089 1.00 61.78 55 A 1 ATOM 419 C C . SER A 0 55 . -0.961 -3.314 -10.579 1.00 61.78 55 A 1 ATOM 420 C CB . SER A 0 55 . -1.876 -3.327 -8.249 1.00 61.78 55 A 1 ATOM 421 O O . SER A 0 55 . -1.146 -4.368 -11.191 1.00 61.78 55 A 1 ATOM 422 O OG . SER A 0 55 . -1.548 -3.477 -6.882 1.00 61.78 55 A 1 ATOM 423 N N . SER A 0 56 . -0.991 -2.127 -11.189 1.00 63.54 56 A 1 ATOM 424 C CA . SER A 0 56 . -1.262 -1.934 -12.618 1.00 63.54 56 A 1 ATOM 425 C C . SER A 0 56 . -0.108 -2.372 -13.533 1.00 63.54 56 A 1 ATOM 426 C CB . SER A 0 56 . -1.603 -0.462 -12.881 1.00 63.54 56 A 1 ATOM 427 O O . SER A 0 56 . -0.268 -2.339 -14.752 1.00 63.54 56 A 1 ATOM 428 O OG . SER A 0 56 . -2.651 -0.023 -12.035 1.00 63.54 56 A 1 ATOM 429 N N . LYS A 0 57 . 1.047 -2.776 -12.975 1.00 67.91 57 A 1 ATOM 430 C CA . LYS A 0 57 . 2.306 -3.019 -13.709 1.00 67.91 57 A 1 ATOM 431 C C . LYS A 0 57 . 2.640 -1.884 -14.695 1.00 67.91 57 A 1 ATOM 432 C CB . LYS A 0 57 . 2.282 -4.380 -14.413 1.00 67.91 57 A 1 ATOM 433 O O . LYS A 0 57 . 2.786 -2.134 -15.891 1.00 67.91 57 A 1 ATOM 434 C CG . LYS A 0 57 . 2.129 -5.551 -13.445 1.00 67.91 57 A 1 ATOM 435 C CD . LYS A 0 57 . 2.233 -6.848 -14.246 1.00 67.91 57 A 1 ATOM 436 C CE . LYS A 0 57 . 2.072 -8.028 -13.293 1.00 67.91 57 A 1 ATOM 437 N NZ . LYS A 0 57 . 2.222 -9.312 -14.014 1.00 67.91 57 A 1 ATOM 438 N N . PRO A 0 58 . 2.754 -0.637 -14.216 1.00 73.71 58 A 1 ATOM 439 C CA . PRO A 0 58 . 2.996 0.527 -15.062 1.00 73.71 58 A 1 ATOM 440 C C . PRO A 0 58 . 4.375 0.447 -15.721 1.00 73.71 58 A 1 ATOM 441 C CB . PRO A 0 58 . 2.875 1.731 -14.124 1.00 73.71 58 A 1 ATOM 442 O O . PRO A 0 58 . 4.549 0.930 -16.834 1.00 73.71 58 A 1 ATOM 443 C CG . PRO A 0 58 . 3.319 1.158 -12.783 1.00 73.71 58 A 1 ATOM 444 C CD . PRO A 0 58 . 2.740 -0.253 -12.824 1.00 73.71 58 A 1 ATOM 445 N N . CYS A 0 59 . 5.325 -0.232 -15.072 1.00 79.68 59 A 1 ATOM 446 C CA . CYS A 0 59 . 6.669 -0.455 -15.577 1.00 79.68 59 A 1 ATOM 447 C C . CYS A 0 59 . 6.659 -1.361 -16.814 1.00 79.68 59 A 1 ATOM 448 C CB . CYS A 0 59 . 7.538 -1.032 -14.455 1.00 79.68 59 A 1 ATOM 449 O O . CYS A 0 59 . 6.402 -2.566 -16.743 1.00 79.68 59 A 1 ATOM 450 S SG . CYS A 0 59 . 7.370 -0.189 -12.864 1.00 79.68 59 A 1 ATOM 451 N N . GLN A 0 60 . 6.970 -0.769 -17.961 1.00 82.43 60 A 1 ATOM 452 C CA . GLN A 0 60 . 7.138 -1.435 -19.243 1.00 82.43 60 A 1 ATOM 453 C C . GLN A 0 60 . 8.539 -2.041 -19.364 1.00 82.43 60 A 1 ATOM 454 C CB . GLN A 0 60 . 6.851 -0.446 -20.383 1.00 82.43 60 A 1 ATOM 455 O O . GLN A 0 60 . 9.381 -1.918 -18.478 1.00 82.43 60 A 1 ATOM 456 C CG . GLN A 0 60 . 5.447 0.168 -20.273 1.00 82.43 60 A 1 ATOM 457 C CD . GLN A 0 60 . 5.052 0.963 -21.509 1.00 82.43 60 A 1 ATOM 458 N NE2 . GLN A 0 60 . 4.146 1.904 -21.374 1.00 82.43 60 A 1 ATOM 459 O OE1 . GLN A 0 60 . 5.519 0.745 -22.614 1.00 82.43 60 A 1 ATOM 460 N N . ASN A 0 61 . 8.787 -2.748 -20.469 1.00 82.41 61 A 1 ATOM 461 C CA . ASN A 0 61 . 10.110 -3.266 -20.835 1.00 82.41 61 A 1 ATOM 462 C C . ASN A 0 61 . 10.801 -4.112 -19.751 1.00 82.41 61 A 1 ATOM 463 C CB . ASN A 0 61 . 10.960 -2.117 -21.401 1.00 82.41 61 A 1 ATOM 464 O O . ASN A 0 61 . 12.024 -4.184 -19.701 1.00 82.41 61 A 1 ATOM 465 C CG . ASN A 0 61 . 10.346 -1.591 -22.684 1.00 82.41 61 A 1 ATOM 466 N ND2 . ASN A 0 61 . 10.062 -0.318 -22.781 1.00 82.41 61 A 1 ATOM 467 O OD1 . ASN A 0 61 . 10.058 -2.348 -23.597 1.00 82.41 61 A 1 ATOM 468 N N . LYS A 0 62 . 10.008 -4.819 -18.932 1.00 83.21 62 A 1 ATOM 469 C CA . LYS A 0 62 . 10.463 -5.626 -17.783 1.00 83.21 62 A 1 ATOM 470 C C . LYS A 0 62 . 11.062 -4.799 -16.634 1.00 83.21 62 A 1 ATOM 471 C CB . LYS A 0 62 . 11.407 -6.768 -18.212 1.00 83.21 62 A 1 ATOM 472 O O . LYS A 0 62 . 11.849 -5.337 -15.860 1.00 83.21 62 A 1 ATOM 473 C CG . LYS A 0 62 . 10.910 -7.618 -19.388 1.00 83.21 62 A 1 ATOM 474 C CD . LYS A 0 62 . 11.987 -8.646 -19.744 1.00 83.21 62 A 1 ATOM 475 C CE . LYS A 0 62 . 11.517 -9.524 -20.904 1.00 83.21 62 A 1 ATOM 476 N NZ . LYS A 0 62 . 12.560 -10.512 -21.269 1.00 83.21 62 A 1 ATOM 477 N N . GLY A 0 63 . 10.678 -3.528 -16.517 1.00 80.57 63 A 1 ATOM 478 C CA . GLY A 0 63 . 10.945 -2.718 -15.333 1.00 80.57 63 A 1 ATOM 479 C C . GLY A 0 63 . 10.343 -3.333 -14.074 1.00 80.57 63 A 1 ATOM 480 O O . GLY A 0 63 . 9.248 -3.903 -14.107 1.00 80.57 63 A 1 ATOM 481 N N . ILE A 0 64 . 11.077 -3.234 -12.971 1.00 80.51 64 A 1 ATOM 482 C CA . ILE A 0 64 . 10.640 -3.712 -11.660 1.00 80.51 64 A 1 ATOM 483 C C . ILE A 0 64 . 9.964 -2.542 -10.949 1.00 80.51 64 A 1 ATOM 484 C CB . ILE A 0 64 . 11.820 -4.315 -10.865 1.00 80.51 64 A 1 ATOM 485 O O . ILE A 0 64 . 10.582 -1.508 -10.722 1.00 80.51 64 A 1 ATOM 486 C CG1 . ILE A 0 64 . 12.403 -5.538 -11.614 1.00 80.51 64 A 1 ATOM 487 C CG2 . ILE A 0 64 . 11.356 -4.716 -9.451 1.00 80.51 64 A 1 ATOM 488 C CD1 . ILE A 0 64 . 13.722 -6.056 -11.027 1.00 80.51 64 A 1 ATOM 489 N N . GLY A 0 65 . 8.679 -2.692 -10.635 1.00 81.53 65 A 1 ATOM 490 C CA . GLY A 0 65 . 7.938 -1.699 -9.865 1.00 81.53 65 A 1 ATOM 491 C C . GLY A 0 65 . 8.239 -1.824 -8.378 1.00 81.53 65 A 1 ATOM 492 O O . GLY A 0 65 . 8.118 -2.909 -7.811 1.00 81.53 65 A 1 ATOM 493 N N . HIS A 0 66 . 8.591 -0.705 -7.758 1.00 76.63 66 A 1 ATOM 494 C CA . HIS A 0 66 . 8.768 -0.559 -6.320 1.00 76.63 66 A 1 ATOM 495 C C . HIS A 0 66 . 7.681 0.362 -5.776 1.00 76.63 66 A 1 ATOM 496 C CB . HIS A 0 66 . 10.168 -0.011 -6.029 1.00 76.63 66 A 1 ATOM 497 O O . HIS A 0 66 . 7.420 1.426 -6.338 1.00 76.63 66 A 1 ATOM 498 C CG . HIS A 0 66 . 11.269 -0.924 -6.504 1.00 76.63 66 A 1 ATOM 499 C CD2 . HIS A 0 66 . 12.020 -0.753 -7.630 1.00 76.63 66 A 1 ATOM 500 N ND1 . HIS A 0 66 . 11.693 -2.079 -5.842 1.00 76.63 66 A 1 ATOM 501 C CE1 . HIS A 0 66 . 12.700 -2.569 -6.581 1.00 76.63 66 A 1 ATOM 502 N NE2 . HIS A 0 66 . 12.921 -1.796 -7.653 1.00 76.63 66 A 1 ATOM 503 N N . GLU A 0 67 . 7.033 -0.028 -4.681 1.00 71.53 67 A 1 ATOM 504 C CA . GLU A 0 67 . 6.155 0.885 -3.946 1.00 71.53 67 A 1 ATOM 505 C C . GLU A 0 67 . 6.988 1.901 -3.163 1.00 71.53 67 A 1 ATOM 506 C CB . GLU A 0 67 . 5.214 0.126 -3.001 1.00 71.53 67 A 1 ATOM 507 O O . GLU A 0 67 . 7.955 1.551 -2.483 1.00 71.53 67 A 1 ATOM 508 C CG . GLU A 0 67 . 3.993 -0.452 -3.731 1.00 71.53 67 A 1 ATOM 509 C CD . GLU A 0 67 . 3.005 -1.155 -2.781 1.00 71.53 67 A 1 ATOM 510 O OE1 . GLU A 0 67 . 1.842 -1.361 -3.199 1.00 71.53 67 A 1 ATOM 511 O OE2 . GLU A 0 67 . 3.411 -1.492 -1.648 1.00 71.53 67 A 1 ATOM 512 N N . ILE A 0 68 . 6.582 3.167 -3.236 1.00 72.05 68 A 1 ATOM 513 C CA . ILE A 0 68 . 7.136 4.258 -2.436 1.00 72.05 68 A 1 ATOM 514 C C . ILE A 0 68 . 6.000 4.994 -1.722 1.00 72.05 68 A 1 ATOM 515 C CB . ILE A 0 68 . 8.019 5.201 -3.289 1.00 72.05 68 A 1 ATOM 516 O O . ILE A 0 68 . 4.827 4.885 -2.085 1.00 72.05 68 A 1 ATOM 517 C CG1 . ILE A 0 68 . 7.232 5.864 -4.439 1.00 72.05 68 A 1 ATOM 518 C CG2 . ILE A 0 68 . 9.250 4.442 -3.820 1.00 72.05 68 A 1 ATOM 519 C CD1 . ILE A 0 68 . 7.994 6.980 -5.161 1.00 72.05 68 A 1 ATOM 520 N N . THR A 0 69 . 6.330 5.768 -0.690 1.00 71.03 69 A 1 ATOM 521 C CA . THR A 0 69 . 5.335 6.571 0.030 1.00 71.03 69 A 1 ATOM 522 C C . THR A 0 69 . 4.657 7.550 -0.931 1.00 71.03 69 A 1 ATOM 523 C CB . THR A 0 69 . 5.982 7.340 1.189 1.00 71.03 69 A 1 ATOM 524 O O . THR A 0 69 . 5.281 8.506 -1.384 1.00 71.03 69 A 1 ATOM 525 C CG2 . THR A 0 69 . 4.937 7.982 2.102 1.00 71.03 69 A 1 ATOM 526 O OG1 . THR A 0 69 . 6.738 6.459 1.989 1.00 71.03 69 A 1 ATOM 527 N N . GLY A 0 70 . 3.375 7.320 -1.226 1.00 65.39 70 A 1 ATOM 528 C CA . GLY A 0 70 . 2.587 8.179 -2.116 1.00 65.39 70 A 1 ATOM 529 C C . GLY A 0 70 . 2.654 7.842 -3.611 1.00 65.39 70 A 1 ATOM 530 O O . GLY A 0 70 . 2.174 8.651 -4.397 1.00 65.39 70 A 1 ATOM 531 N N . GLY A 0 71 . 3.228 6.704 -4.022 1.00 69.91 71 A 1 ATOM 532 C CA . GLY A 0 71 . 3.294 6.341 -5.444 1.00 69.91 71 A 1 ATOM 533 C C . GLY A 0 71 . 4.141 5.101 -5.729 1.00 69.91 71 A 1 ATOM 534 O O . GLY A 0 71 . 4.373 4.267 -4.857 1.00 69.91 71 A 1 ATOM 535 N N . TYR A 0 72 . 4.628 4.978 -6.954 1.00 74.29 72 A 1 ATOM 536 C CA . TYR A 0 72 . 5.519 3.900 -7.386 1.00 74.29 72 A 1 ATOM 537 C C . TYR A 0 72 . 6.764 4.471 -8.058 1.00 74.29 72 A 1 ATOM 538 C CB . TYR A 0 72 . 4.807 2.925 -8.336 1.00 74.29 72 A 1 ATOM 539 O O . TYR A 0 72 . 6.779 5.601 -8.548 1.00 74.29 72 A 1 ATOM 540 C CG . TYR A 0 72 . 4.504 3.532 -9.693 1.00 74.29 72 A 1 ATOM 541 C CD1 . TYR A 0 72 . 3.532 4.530 -9.768 1.00 74.29 72 A 1 ATOM 542 C CD2 . TYR A 0 72 . 5.220 3.186 -10.851 1.00 74.29 72 A 1 ATOM 543 C CE1 . TYR A 0 72 . 3.176 5.128 -10.982 1.00 74.29 72 A 1 ATOM 544 C CE2 . TYR A 0 72 . 4.896 3.806 -12.078 1.00 74.29 72 A 1 ATOM 545 O OH . TYR A 0 72 . 3.437 5.321 -13.314 1.00 74.29 72 A 1 ATOM 546 C CZ . TYR A 0 72 . 3.842 4.748 -12.153 1.00 74.29 72 A 1 ATOM 547 N N . LEU A 0 73 . 7.803 3.651 -8.104 1.00 76.72 73 A 1 ATOM 548 C CA . LEU A 0 73 . 9.014 3.900 -8.863 1.00 76.72 73 A 1 ATOM 549 C C . LEU A 0 73 . 9.301 2.679 -9.732 1.00 76.72 73 A 1 ATOM 550 C CB . LEU A 0 73 . 10.148 4.188 -7.867 1.00 76.72 73 A 1 ATOM 551 O O . LEU A 0 73 . 9.330 1.560 -9.225 1.00 76.72 73 A 1 ATOM 552 C CG . LEU A 0 73 . 11.502 4.484 -8.533 1.00 76.72 73 A 1 ATOM 553 C CD1 . LEU A 0 73 . 11.478 5.803 -9.309 1.00 76.72 73 A 1 ATOM 554 C CD2 . LEU A 0 73 . 12.584 4.568 -7.458 1.00 76.72 73 A 1 ATOM 555 N N . CYS A 0 74 . 9.539 2.881 -11.024 1.00 81.36 74 A 1 ATOM 556 C CA . CYS A 0 74 . 10.019 1.814 -11.892 1.00 81.36 74 A 1 ATOM 557 C C . CYS A 0 74 . 11.545 1.798 -11.928 1.00 81.36 74 A 1 ATOM 558 C CB . CYS A 0 74 . 9.421 1.968 -13.288 1.00 81.36 74 A 1 ATOM 559 O O . CYS A 0 74 . 12.184 2.764 -12.340 1.00 81.36 74 A 1 ATOM 560 S SG . CYS A 0 74 . 7.631 1.760 -13.336 1.00 81.36 74 A 1 ATOM 561 N N . GLU A 0 75 . 12.133 0.675 -11.535 1.00 82.82 75 A 1 ATOM 562 C CA . GLU A 0 75 . 13.533 0.372 -11.793 1.00 82.82 75 A 1 ATOM 563 C C . GLU A 0 75 . 13.657 -0.189 -13.210 1.00 82.82 75 A 1 ATOM 564 C CB . GLU A 0 75 . 14.051 -0.592 -10.728 1.00 82.82 75 A 1 ATOM 565 O O . GLU A 0 75 . 13.220 -1.306 -13.508 1.00 82.82 75 A 1 ATOM 566 C CG . GLU A 0 75 . 15.547 -0.892 -10.894 1.00 82.82 75 A 1 ATOM 567 C CD . GLU A 0 75 . 16.071 -1.886 -9.846 1.00 82.82 75 A 1 ATOM 568 O OE1 . GLU A 0 75 . 17.274 -2.217 -9.919 1.00 82.82 75 A 1 ATOM 569 O OE2 . GLU A 0 75 . 15.269 -2.333 -8.991 1.00 82.82 75 A 1 ATOM 570 N N . CYS A 0 76 . 14.217 0.622 -14.104 1.00 77.14 76 A 1 ATOM 571 C CA . CYS A 0 76 . 14.321 0.282 -15.513 1.00 77.14 76 A 1 ATOM 572 C C . CYS A 0 76 . 15.547 -0.587 -15.807 1.00 77.14 76 A 1 ATOM 573 C CB . CYS A 0 76 . 14.306 1.557 -16.360 1.00 77.14 76 A 1 ATOM 574 O O . CYS A 0 76 . 16.647 -0.277 -15.345 1.00 77.14 76 A 1 ATOM 575 S SG . CYS A 0 76 . 12.840 2.578 -16.078 1.00 77.14 76 A 1 ATOM 576 N N . PRO A 0 77 . 15.399 -1.655 -16.613 1.00 76.20 77 A 1 ATOM 577 C CA . PRO A 0 77 . 16.544 -2.408 -17.090 1.00 76.20 77 A 1 ATOM 578 C C . PRO A 0 77 . 17.404 -1.554 -18.025 1.00 76.20 77 A 1 ATOM 579 C CB . PRO A 0 77 . 15.978 -3.662 -17.762 1.00 76.20 77 A 1 ATOM 580 O O . PRO A 0 77 . 16.930 -0.606 -18.656 1.00 76.20 77 A 1 ATOM 581 C CG . PRO A 0 77 . 14.540 -3.300 -18.115 1.00 76.20 77 A 1 ATOM 582 C CD . PRO A 0 77 . 14.158 -2.212 -17.121 1.00 76.20 77 A 1 ATOM 583 N N . ASN A 0 78 . 18.682 -1.925 -18.138 1.00 72.51 78 A 1 ATOM 584 C CA . ASN A 0 78 . 19.650 -1.225 -18.982 1.00 72.51 78 A 1 ATOM 585 C C . ASN A 0 78 . 19.109 -0.995 -20.400 1.00 72.51 78 A 1 ATOM 586 C CB . ASN A 0 78 . 20.964 -2.027 -19.038 1.00 72.51 78 A 1 ATOM 587 O O . ASN A 0 78 . 18.672 -1.934 -21.066 1.00 72.51 78 A 1 ATOM 588 C CG . ASN A 0 78 . 21.814 -1.868 -17.793 1.00 72.51 78 A 1 ATOM 589 N ND2 . ASN A 0 78 . 22.648 -2.832 -17.483 1.00 72.51 78 A 1 ATOM 590 O OD1 . ASN A 0 78 . 21.771 -0.875 -17.098 1.00 72.51 78 A 1 ATOM 591 N N . GLY A 0 79 . 19.195 0.253 -20.865 1.00 67.91 79 A 1 ATOM 592 C CA . GLY A 0 79 . 18.710 0.656 -22.185 1.00 67.91 79 A 1 ATOM 593 C C . GLY A 0 79 . 17.285 1.214 -22.206 1.00 67.91 79 A 1 ATOM 594 O O . GLY A 0 79 . 16.824 1.564 -23.289 1.00 67.91 79 A 1 ATOM 595 N N . PHE A 0 80 . 16.603 1.347 -21.063 1.00 71.27 80 A 1 ATOM 596 C CA . PHE A 0 80 . 15.269 1.953 -20.970 1.00 71.27 80 A 1 ATOM 597 C C . PHE A 0 80 . 15.215 3.076 -19.923 1.00 71.27 80 A 1 ATOM 598 C CB . PHE A 0 80 . 14.216 0.872 -20.691 1.00 71.27 80 A 1 ATOM 599 O O . PHE A 0 80 . 15.876 2.997 -18.890 1.00 71.27 80 A 1 ATOM 600 C CG . PHE A 0 80 . 14.158 -0.222 -21.741 1.00 71.27 80 A 1 ATOM 601 C CD1 . PHE A 0 80 . 13.327 -0.082 -22.866 1.00 71.27 80 A 1 ATOM 602 C CD2 . PHE A 0 80 . 14.947 -1.378 -21.599 1.00 71.27 80 A 1 ATOM 603 C CE1 . PHE A 0 80 . 13.264 -1.111 -23.826 1.00 71.27 80 A 1 ATOM 604 C CE2 . PHE A 0 80 . 14.902 -2.393 -22.569 1.00 71.27 80 A 1 ATOM 605 C CZ . PHE A 0 80 . 14.055 -2.262 -23.683 1.00 71.27 80 A 1 ATOM 606 N N . ILE A 0 81 . 14.433 4.121 -20.198 1.00 69.85 81 A 1 ATOM 607 C CA . ILE A 0 81 . 14.195 5.299 -19.348 1.00 69.85 81 A 1 ATOM 608 C C . ILE A 0 81 . 12.718 5.716 -19.408 1.00 69.85 81 A 1 ATOM 609 C CB . ILE A 0 81 . 15.121 6.492 -19.719 1.00 69.85 81 A 1 ATOM 610 O O . ILE A 0 81 . 11.912 5.115 -20.117 1.00 69.85 81 A 1 ATOM 611 C CG1 . ILE A 0 81 . 14.852 7.038 -21.139 1.00 69.85 81 A 1 ATOM 612 C CG2 . ILE A 0 81 . 16.584 6.119 -19.475 1.00 69.85 81 A 1 ATOM 613 C CD1 . ILE A 0 81 . 15.694 8.249 -21.551 1.00 69.85 81 A 1 ATOM 614 N N . GLY A 0 82 . 12.380 6.775 -18.676 1.00 72.50 82 A 1 ATOM 615 C CA . GLY A 0 82 . 11.011 7.250 -18.492 1.00 72.50 82 A 1 ATOM 616 C C . GLY A 0 82 . 10.455 6.814 -17.140 1.00 72.50 82 A 1 ATOM 617 O O . GLY A 0 82 . 11.045 5.972 -16.463 1.00 72.50 82 A 1 ATOM 618 N N . GLN A 0 83 . 9.333 7.406 -16.727 1.00 77.36 83 A 1 ATOM 619 C CA . GLN A 0 83 . 8.697 7.087 -15.439 1.00 77.36 83 A 1 ATOM 620 C C . GLN A 0 83 . 8.303 5.604 -15.360 1.00 77.36 83 A 1 ATOM 621 C CB . GLN A 0 83 . 7.466 7.992 -15.270 1.00 77.36 83 A 1 ATOM 622 O O . GLN A 0 83 . 8.335 5.004 -14.289 1.00 77.36 83 A 1 ATOM 623 C CG . GLN A 0 83 . 6.734 7.767 -13.936 1.00 77.36 83 A 1 ATOM 624 C CD . GLN A 0 83 . 5.519 8.672 -13.751 1.00 77.36 83 A 1 ATOM 625 N NE2 . GLN A 0 83 . 4.835 8.561 -12.634 1.00 77.36 83 A 1 ATOM 626 O OE1 . GLN A 0 83 . 5.160 9.488 -14.586 1.00 77.36 83 A 1 ATOM 627 N N . ASN A 0 84 . 7.979 5.027 -16.515 1.00 82.03 84 A 1 ATOM 628 C CA . ASN A 0 84 . 7.462 3.684 -16.703 1.00 82.03 84 A 1 ATOM 629 C C . ASN A 0 84 . 8.407 2.814 -17.532 1.00 82.03 84 A 1 ATOM 630 C CB . ASN A 0 84 . 6.071 3.831 -17.346 1.00 82.03 84 A 1 ATOM 631 O O . ASN A 0 84 . 7.980 1.780 -18.039 1.00 82.03 84 A 1 ATOM 632 C CG . ASN A 0 84 . 5.077 4.393 -16.362 1.00 82.03 84 A 1 ATOM 633 N ND2 . ASN A 0 84 . 4.004 5.001 -16.802 1.00 82.03 84 A 1 ATOM 634 O OD1 . ASN A 0 84 . 5.252 4.304 -15.171 1.00 82.03 84 A 1 ATOM 635 N N . CYS A 0 85 . 9.674 3.204 -17.698 1.00 81.32 85 A 1 ATOM 636 C CA . CYS A 0 85 . 10.629 2.512 -18.572 1.00 81.32 85 A 1 ATOM 637 C C . CYS A 0 85 . 10.143 2.383 -20.023 1.00 81.32 85 A 1 ATOM 638 C CB . CYS A 0 85 . 11.003 1.154 -17.965 1.00 81.32 85 A 1 ATOM 639 O O . CYS A 0 85 . 10.486 1.427 -20.717 1.00 81.32 85 A 1 ATOM 640 S SG . CYS A 0 85 . 11.334 1.218 -16.196 1.00 81.32 85 A 1 ATOM 641 N N . GLU A 0 86 . 9.291 3.301 -20.469 1.00 79.82 86 A 1 ATOM 642 C CA . GLU A 0 86 . 8.601 3.280 -21.755 1.00 79.82 86 A 1 ATOM 643 C C . GLU A 0 86 . 9.482 3.747 -22.918 1.00 79.82 86 A 1 ATOM 644 C CB . GLU A 0 86 . 7.297 4.098 -21.649 1.00 79.82 86 A 1 ATOM 645 O O . GLU A 0 86 . 9.214 3.420 -24.074 1.00 79.82 86 A 1 ATOM 646 C CG . GLU A 0 86 . 7.412 5.638 -21.560 1.00 79.82 86 A 1 ATOM 647 C CD . GLU A 0 86 . 7.824 6.229 -20.194 1.00 79.82 86 A 1 ATOM 648 O OE1 . GLU A 0 86 . 7.772 7.466 -20.045 1.00 79.82 86 A 1 ATOM 649 O OE2 . GLU A 0 86 . 8.190 5.474 -19.268 1.00 79.82 86 A 1 ATOM 650 N N . LEU A 0 87 . 10.547 4.491 -22.621 1.00 72.57 87 A 1 ATOM 651 C CA . LEU A 0 87 . 11.473 5.021 -23.610 1.00 72.57 87 A 1 ATOM 652 C C . LEU A 0 87 . 12.705 4.124 -23.694 1.00 72.57 87 A 1 ATOM 653 C CB . LEU A 0 87 . 11.866 6.456 -23.230 1.00 72.57 87 A 1 ATOM 654 O O . LEU A 0 87 . 13.291 3.761 -22.682 1.00 72.57 87 A 1 ATOM 655 C CG . LEU A 0 87 . 10.708 7.447 -23.024 1.00 72.57 87 A 1 ATOM 656 C CD1 . LEU A 0 87 . 11.258 8.800 -22.573 1.00 72.57 87 A 1 ATOM 657 C CD2 . LEU A 0 87 . 9.903 7.648 -24.309 1.00 72.57 87 A 1 ATOM 658 N N . THR A 0 88 . 13.154 3.804 -24.899 1.00 67.95 88 A 1 ATOM 659 C CA . THR A 0 88 . 14.478 3.211 -25.124 1.00 67.95 88 A 1 ATOM 660 C C . THR A 0 88 . 15.545 4.297 -25.176 1.00 67.95 88 A 1 ATOM 661 C CB . THR A 0 88 . 14.531 2.387 -26.418 1.00 67.95 88 A 1 ATOM 662 O O . THR A 0 88 . 15.374 5.308 -25.856 1.00 67.95 88 A 1 ATOM 663 C CG2 . THR A 0 88 . 14.194 0.928 -26.158 1.00 67.95 88 A 1 ATOM 664 O OG1 . THR A 0 88 . 13.602 2.867 -27.368 1.00 67.95 88 A 1 ATOM 665 N N . ILE A 0 89 . 16.673 4.063 -24.509 1.00 61.68 89 A 1 ATOM 666 C CA . ILE A 0 89 . 17.881 4.870 -24.663 1.00 61.68 89 A 1 ATOM 667 C C . ILE A 0 89 . 18.432 4.602 -26.062 1.00 61.68 89 A 1 ATOM 668 C CB . ILE A 0 89 . 18.939 4.549 -23.580 1.00 61.68 89 A 1 ATOM 669 O O . ILE A 0 89 . 19.065 3.572 -26.306 1.00 61.68 89 A 1 ATOM 670 C CG1 . ILE A 0 89 . 18.381 4.739 -22.156 1.00 61.68 89 A 1 ATOM 671 C CG2 . ILE A 0 89 . 20.172 5.452 -23.768 1.00 61.68 89 A 1 ATOM 672 C CD1 . ILE A 0 89 . 19.348 4.300 -21.045 1.00 61.68 89 A 1 ATOM 673 N N . ASP A 0 90 . 18.232 5.543 -26.979 1.00 53.58 90 A 1 ATOM 674 C CA . ASP A 0 90 . 19.020 5.576 -28.202 1.00 53.58 90 A 1 ATOM 675 C C . ASP A 0 90 . 20.380 6.208 -27.879 1.00 53.58 90 A 1 ATOM 676 C CB . ASP A 0 90 . 18.265 6.251 -29.356 1.00 53.58 90 A 1 ATOM 677 O O . ASP A 0 90 . 20.574 7.425 -27.957 1.00 53.58 90 A 1 ATOM 678 C CG . ASP A 0 90 . 18.925 5.947 -30.708 1.00 53.58 90 A 1 ATOM 679 O OD1 . ASP A 0 90 . 20.056 5.398 -30.704 1.00 53.58 90 A 1 ATOM 680 O OD2 . ASP A 0 90 . 18.310 6.269 -31.747 1.00 53.58 90 A 1 ATOM 681 N N . LEU A 0 91 . 21.337 5.363 -27.481 1.00 47.64 91 A 1 ATOM 682 C CA . LEU A 0 91 . 22.727 5.766 -27.237 1.00 47.64 91 A 1 ATOM 683 C C . LEU A 0 91 . 23.370 6.428 -28.474 1.00 47.64 91 A 1 ATOM 684 C CB . LEU A 0 91 . 23.553 4.547 -26.770 1.00 47.64 91 A 1 ATOM 685 O O . LEU A 0 91 . 24.430 7.034 -28.342 1.00 47.64 91 A 1 ATOM 686 C CG . LEU A 0 91 . 23.238 4.026 -25.353 1.00 47.64 91 A 1 ATOM 687 C CD1 . LEU A 0 91 . 23.975 2.708 -25.109 1.00 47.64 91 A 1 ATOM 688 C CD2 . LEU A 0 91 . 23.672 5.009 -24.262 1.00 47.64 91 A 1 ATOM 689 N N . CYS A 0 92 . 22.747 6.363 -29.661 1.00 43.83 92 A 1 ATOM 690 C CA . CYS A 0 92 . 23.205 7.096 -30.841 1.00 43.83 92 A 1 ATOM 691 C C . CYS A 0 92 . 22.704 8.549 -30.918 1.00 43.83 92 A 1 ATOM 692 C CB . CYS A 0 92 . 22.816 6.337 -32.118 1.00 43.83 92 A 1 ATOM 693 O O . CYS A 0 92 . 23.302 9.327 -31.662 1.00 43.83 92 A 1 ATOM 694 S SG . CYS A 0 92 . 23.681 4.744 -32.221 1.00 43.83 92 A 1 ATOM 695 N N . GLN A 0 93 . 21.640 8.934 -30.201 1.00 42.99 93 A 1 ATOM 696 C CA . GLN A 0 93 . 21.086 10.296 -30.268 1.00 42.99 93 A 1 ATOM 697 C C . GLN A 0 93 . 21.590 11.228 -29.163 1.00 42.99 93 A 1 ATOM 698 C CB . GLN A 0 93 . 19.552 10.269 -30.288 1.00 42.99 93 A 1 ATOM 699 O O . GLN A 0 93 . 21.694 12.429 -29.402 1.00 42.99 93 A 1 ATOM 700 C CG . GLN A 0 93 . 19.005 9.865 -31.666 1.00 42.99 93 A 1 ATOM 701 C CD . GLN A 0 93 . 17.543 10.264 -31.849 1.00 42.99 93 A 1 ATOM 702 N NE2 . GLN A 0 93 . 17.121 10.563 -33.059 1.00 42.99 93 A 1 ATOM 703 O OE1 . GLN A 0 93 . 16.751 10.362 -30.929 1.00 42.99 93 A 1 ATOM 704 N N . ALA A 0 94 . 21.946 10.700 -27.987 1.00 46.45 94 A 1 ATOM 705 C CA . ALA A 0 94 . 22.505 11.520 -26.908 1.00 46.45 94 A 1 ATOM 706 C C . ALA A 0 94 . 23.972 11.918 -27.153 1.00 46.45 94 A 1 ATOM 707 C CB . ALA A 0 94 . 22.320 10.785 -25.578 1.00 46.45 94 A 1 ATOM 708 O O . ALA A 0 94 . 24.423 12.928 -26.623 1.00 46.45 94 A 1 ATOM 709 N N . ASN A 0 95 . 24.704 11.167 -27.983 1.00 44.79 95 A 1 ATOM 710 C CA . ASN A 0 95 . 26.016 11.576 -28.471 1.00 44.79 95 A 1 ATOM 711 C C . ASN A 0 95 . 26.266 10.982 -29.870 1.00 44.79 95 A 1 ATOM 712 C CB . ASN A 0 95 . 27.106 11.179 -27.445 1.00 44.79 95 A 1 ATOM 713 O O . ASN A 0 95 . 26.349 9.758 -30.018 1.00 44.79 95 A 1 ATOM 714 C CG . ASN A 0 95 . 27.778 12.374 -26.780 1.00 44.79 95 A 1 ATOM 715 N ND2 . ASN A 0 95 . 28.559 12.142 -25.751 1.00 44.79 95 A 1 ATOM 716 O OD1 . ASN A 0 95 . 27.671 13.513 -27.205 1.00 44.79 95 A 1 ATOM 717 N N . PRO A 0 96 . 26.386 11.809 -30.925 1.00 40.56 96 A 1 ATOM 718 C CA . PRO A 0 96 . 26.678 11.321 -32.261 1.00 40.56 96 A 1 ATOM 719 C C . PRO A 0 96 . 28.097 10.754 -32.268 1.00 40.56 96 A 1 ATOM 720 C CB . PRO A 0 96 . 26.511 12.534 -33.183 1.00 40.56 96 A 1 ATOM 721 O O . PRO A 0 96 . 29.060 11.508 -32.216 1.00 40.56 96 A 1 ATOM 722 C CG . PRO A 0 96 . 26.823 13.726 -32.279 1.00 40.56 96 A 1 ATOM 723 C CD . PRO A 0 96 . 26.374 13.263 -30.896 1.00 40.56 96 A 1 ATOM 724 N N . ARG A 0 97 . 28.211 9.421 -32.313 1.00 41.85 97 A 1 ATOM 725 C CA . ARG A 0 97 . 29.418 8.631 -32.623 1.00 41.85 97 A 1 ATOM 726 C C . ARG A 0 97 . 30.724 9.439 -32.688 1.00 41.85 97 A 1 ATOM 727 C CB . ARG A 0 97 . 29.247 7.933 -33.983 1.00 41.85 97 A 1 ATOM 728 O O . ARG A 0 97 . 31.186 9.757 -33.784 1.00 41.85 97 A 1 ATOM 729 C CG . ARG A 0 97 . 28.077 6.962 -34.106 1.00 41.85 97 A 1 ATOM 730 C CD . ARG A 0 97 . 28.300 6.174 -35.403 1.00 41.85 97 A 1 ATOM 731 N NE . ARG A 0 97 . 27.044 5.614 -35.920 1.00 41.85 97 A 1 ATOM 732 N NH1 . ARG A 0 97 . 27.908 3.745 -36.940 1.00 41.85 97 A 1 ATOM 733 N NH2 . ARG A 0 97 . 25.734 4.218 -37.134 1.00 41.85 97 A 1 ATOM 734 C CZ . ARG A 0 97 . 26.905 4.531 -36.660 1.00 41.85 97 A 1 ATOM 735 N N . GLN A 0 98 . 31.374 9.680 -31.554 1.00 42.30 98 A 1 ATOM 736 C CA . GLN A 0 98 . 32.804 9.981 -31.548 1.00 42.30 98 A 1 ATOM 737 C C . GLN A 0 98 . 33.484 9.176 -30.430 1.00 42.30 98 A 1 ATOM 738 C CB . GLN A 0 98 . 33.072 11.505 -31.529 1.00 42.30 98 A 1 ATOM 739 O O . GLN A 0 98 . 33.285 9.414 -29.251 1.00 42.30 98 A 1 ATOM 740 C CG . GLN A 0 98 . 32.667 12.152 -32.874 1.00 42.30 98 A 1 ATOM 741 C CD . GLN A 0 98 . 33.193 13.559 -33.129 1.00 42.30 98 A 1 ATOM 742 N NE2 . GLN A 0 98 . 33.243 13.978 -34.376 1.00 42.30 98 A 1 ATOM 743 O OE1 . GLN A 0 98 . 33.579 14.310 -32.255 1.00 42.30 98 A 1 ATOM 744 N N . ASN A 0 99 . 34.280 8.187 -30.844 1.00 42.57 99 A 1 ATOM 745 C CA . ASN A 0 99 . 35.409 7.615 -30.097 1.00 42.57 99 A 1 ATOM 746 C C . ASN A 0 99 . 35.174 6.733 -28.848 1.00 42.57 99 A 1 ATOM 747 C CB . ASN A 0 99 . 36.479 8.707 -29.909 1.00 42.57 99 A 1 ATOM 748 O O . ASN A 0 99 . 36.020 6.699 -27.962 1.00 42.57 99 A 1 ATOM 749 C CG . ASN A 0 99 . 37.040 9.232 -31.216 1.00 42.57 99 A 1 ATOM 750 N ND2 . ASN A 0 99 . 37.927 10.192 -31.137 1.00 42.57 99 A 1 ATOM 751 O OD1 . ASN A 0 99 . 36.716 8.788 -32.310 1.00 42.57 99 A 1 ATOM 752 N N . GLY A 0 100 . 34.140 5.883 -28.835 1.00 49.19 100 A 1 ATOM 753 C CA . GLY A 0 100 . 34.145 4.676 -27.981 1.00 49.19 100 A 1 ATOM 754 C C . GLY A 0 100 . 33.856 4.893 -26.490 1.00 49.19 100 A 1 ATOM 755 O O . GLY A 0 100 . 34.239 4.065 -25.665 1.00 49.19 100 A 1 ATOM 756 N N . GLU A 0 101 . 33.178 5.982 -26.147 1.00 48.05 101 A 1 ATOM 757 C CA . GLU A 0 101 . 32.674 6.254 -24.798 1.00 48.05 101 A 1 ATOM 758 C C . GLU A 0 101 . 31.412 5.430 -24.491 1.00 48.05 101 A 1 ATOM 759 C CB . GLU A 0 101 . 32.391 7.757 -24.651 1.00 48.05 101 A 1 ATOM 760 O O . GLU A 0 101 . 30.627 5.117 -25.391 1.00 48.05 101 A 1 ATOM 761 C CG . GLU A 0 101 . 33.640 8.603 -24.947 1.00 48.05 101 A 1 ATOM 762 C CD . GLU A 0 101 . 33.420 10.104 -24.735 1.00 48.05 101 A 1 ATOM 763 O OE1 . GLU A 0 101 . 34.442 10.778 -24.477 1.00 48.05 101 A 1 ATOM 764 O OE2 . GLU A 0 101 . 32.254 10.553 -24.834 1.00 48.05 101 A 1 ATOM 765 N N . TYR A 0 102 . 31.199 5.093 -23.215 1.00 54.98 102 A 1 ATOM 766 C CA . TYR A 0 102 . 29.953 4.490 -22.737 1.00 54.98 102 A 1 ATOM 767 C C . TYR A 0 102 . 29.415 5.290 -21.551 1.00 54.98 102 A 1 ATOM 768 C CB . TYR A 0 102 . 30.133 2.994 -22.422 1.00 54.98 102 A 1 ATOM 769 O O . TYR A 0 102 . 30.153 5.648 -20.633 1.00 54.98 102 A 1 ATOM 770 C CG . TYR A 0 102 . 31.045 2.676 -21.250 1.00 54.98 102 A 1 ATOM 771 C CD1 . TYR A 0 102 . 32.442 2.656 -21.432 1.00 54.98 102 A 1 ATOM 772 C CD2 . TYR A 0 102 . 30.501 2.423 -19.976 1.00 54.98 102 A 1 ATOM 773 C CE1 . TYR A 0 102 . 33.297 2.408 -20.341 1.00 54.98 102 A 1 ATOM 774 C CE2 . TYR A 0 102 . 31.357 2.169 -18.886 1.00 54.98 102 A 1 ATOM 775 O OH . TYR A 0 102 . 33.563 1.938 -17.999 1.00 54.98 102 A 1 ATOM 776 C CZ . TYR A 0 102 . 32.751 2.169 -19.063 1.00 54.98 102 A 1 ATOM 777 N N . CYS A 0 103 . 28.119 5.589 -21.565 1.00 51.46 103 A 1 ATOM 778 C CA . CYS A 0 103 . 27.465 6.283 -20.464 1.00 51.46 103 A 1 ATOM 779 C C . CYS A 0 103 . 26.773 5.276 -19.544 1.00 51.46 103 A 1 ATOM 780 C CB . CYS A 0 103 . 26.572 7.412 -20.994 1.00 51.46 103 A 1 ATOM 781 O O . CYS A 0 103 . 26.061 4.385 -20.008 1.00 51.46 103 A 1 ATOM 782 S SG . CYS A 0 103 . 27.381 8.582 -22.139 1.00 51.46 103 A 1 ATOM 783 N N . GLN A 0 104 . 27.022 5.401 -18.241 1.00 50.45 104 A 1 ATOM 784 C CA . GLN A 0 104 . 26.388 4.622 -17.184 1.00 50.45 104 A 1 ATOM 785 C C . GLN A 0 104 . 25.494 5.547 -16.363 1.00 50.45 104 A 1 ATOM 786 C CB . GLN A 0 104 . 27.434 3.928 -16.296 1.00 50.45 104 A 1 ATOM 787 O O . GLN A 0 104 . 25.874 6.667 -16.026 1.00 50.45 104 A 1 ATOM 788 C CG . GLN A 0 104 . 28.209 2.853 -17.068 1.00 50.45 104 A 1 ATOM 789 C CD . GLN A 0 104 . 29.129 2.037 -16.166 1.00 50.45 104 A 1 ATOM 790 N NE2 . GLN A 0 104 . 29.156 0.728 -16.299 1.00 50.45 104 A 1 ATOM 791 O OE1 . GLN A 0 104 . 29.876 2.546 -15.354 1.00 50.45 104 A 1 ATOM 792 N N . HIS A 0 105 . 24.289 5.077 -16.057 1.00 51.87 105 A 1 ATOM 793 C CA . HIS A 0 105 . 23.375 5.798 -15.183 1.00 51.87 105 A 1 ATOM 794 C C . HIS A 0 105 . 23.696 5.483 -13.720 1.00 51.87 105 A 1 ATOM 795 C CB . HIS A 0 105 . 21.927 5.445 -15.548 1.00 51.87 105 A 1 ATOM 796 O O . HIS A 0 105 . 24.014 4.337 -13.388 1.00 51.87 105 A 1 ATOM 797 C CG . HIS A 0 105 . 21.042 6.658 -15.552 1.00 51.87 105 A 1 ATOM 798 C CD2 . HIS A 0 105 . 20.788 7.461 -16.628 1.00 51.87 105 A 1 ATOM 799 N ND1 . HIS A 0 105 . 20.372 7.191 -14.481 1.00 51.87 105 A 1 ATOM 800 C CE1 . HIS A 0 105 . 19.743 8.296 -14.908 1.00 51.87 105 A 1 ATOM 801 N NE2 . HIS A 0 105 . 19.950 8.501 -16.217 1.00 51.87 105 A 1 ATOM 802 N N . THR A 0 106 . 23.581 6.481 -12.848 1.00 47.01 106 A 1 ATOM 803 C CA . THR A 0 106 . 23.533 6.267 -11.396 1.00 47.01 106 A 1 ATOM 804 C C . THR A 0 106 . 22.077 6.086 -10.950 1.00 47.01 106 A 1 ATOM 805 C CB . THR A 0 106 . 24.251 7.395 -10.637 1.00 47.01 106 A 1 ATOM 806 O O . THR A 0 106 . 21.142 6.276 -11.732 1.00 47.01 106 A 1 ATOM 807 C CG2 . THR A 0 106 . 25.725 7.509 -11.029 1.00 47.01 106 A 1 ATOM 808 O OG1 . THR A 0 106 . 23.602 8.608 -10.898 1.00 47.01 106 A 1 ATOM 809 N N . LEU A 0 107 . 21.873 5.676 -9.693 1.00 45.72 107 A 1 ATOM 810 C CA . LEU A 0 107 . 20.571 5.296 -9.116 1.00 45.72 107 A 1 ATOM 811 C C . LEU A 0 107 . 19.510 6.423 -9.072 1.00 45.72 107 A 1 ATOM 812 C CB . LEU A 0 107 . 20.816 4.722 -7.700 1.00 45.72 107 A 1 ATOM 813 O O . LEU A 0 107 . 18.421 6.197 -8.549 1.00 45.72 107 A 1 ATOM 814 C CG . LEU A 0 107 . 21.538 3.361 -7.659 1.00 45.72 107 A 1 ATOM 815 C CD1 . LEU A 0 107 . 21.997 3.060 -6.231 1.00 45.72 107 A 1 ATOM 816 C CD2 . LEU A 0 107 . 20.631 2.219 -8.120 1.00 45.72 107 A 1 ATOM 817 N N . TYR A 0 108 . 19.789 7.618 -9.602 1.00 43.27 108 A 1 ATOM 818 C CA . TYR A 0 108 . 18.863 8.750 -9.604 1.00 43.27 108 A 1 ATOM 819 C C . TYR A 0 108 . 18.403 9.114 -11.025 1.00 43.27 108 A 1 ATOM 820 C CB . TYR A 0 108 . 19.493 9.949 -8.889 1.00 43.27 108 A 1 ATOM 821 O O . TYR A 0 108 . 19.230 9.219 -11.932 1.00 43.27 108 A 1 ATOM 822 C CG . TYR A 0 108 . 19.674 9.713 -7.402 1.00 43.27 108 A 1 ATOM 823 C CD1 . TYR A 0 108 . 18.561 9.788 -6.541 1.00 43.27 108 A 1 ATOM 824 C CD2 . TYR A 0 108 . 20.941 9.382 -6.887 1.00 43.27 108 A 1 ATOM 825 C CE1 . TYR A 0 108 . 18.711 9.533 -5.165 1.00 43.27 108 A 1 ATOM 826 C CE2 . TYR A 0 108 . 21.097 9.126 -5.511 1.00 43.27 108 A 1 ATOM 827 O OH . TYR A 0 108 . 20.135 8.955 -3.321 1.00 43.27 108 A 1 ATOM 828 C CZ . TYR A 0 108 . 19.983 9.200 -4.650 1.00 43.27 108 A 1 ATOM 829 N N . PRO A 0 109 . 17.094 9.341 -11.246 1.00 48.06 109 A 1 ATOM 830 C CA . PRO A 0 109 . 16.572 9.751 -12.546 1.00 48.06 109 A 1 ATOM 831 C C . PRO A 0 109 . 17.120 11.132 -12.941 1.00 48.06 109 A 1 ATOM 832 C CB . PRO A 0 109 . 15.044 9.717 -12.408 1.00 48.06 109 A 1 ATOM 833 O O . PRO A 0 109 . 16.953 12.103 -12.207 1.00 48.06 109 A 1 ATOM 834 C CG . PRO A 0 109 . 14.784 9.831 -10.905 1.00 48.06 109 A 1 ATOM 835 C CD . PRO A 0 109 . 16.030 9.235 -10.262 1.00 48.06 109 A 1 ATOM 836 N N . GLY A 0 110 . 17.764 11.210 -14.111 1.00 51.14 110 A 1 ATOM 837 C CA . GLY A 0 110 . 18.337 12.437 -14.679 1.00 51.14 110 A 1 ATOM 838 C C . GLY A 0 110 . 19.862 12.567 -14.604 1.00 51.14 110 A 1 ATOM 839 O O . GLY A 0 110 . 20.395 13.489 -15.217 1.00 51.14 110 A 1 ATOM 840 N N . ASP A 0 111 . 20.562 11.665 -13.911 1.00 52.51 111 A 1 ATOM 841 C CA . ASP A 0 111 . 22.016 11.752 -13.734 1.00 52.51 111 A 1 ATOM 842 C C . ASP A 0 111 . 22.754 10.692 -14.578 1.00 52.51 111 A 1 ATOM 843 C CB . ASP A 0 111 . 22.332 11.732 -12.227 1.00 52.51 111 A 1 ATOM 844 O O . ASP A 0 111 . 22.851 9.510 -14.229 1.00 52.51 111 A 1 ATOM 845 C CG . ASP A 0 111 . 23.624 12.467 -11.849 1.00 52.51 111 A 1 ATOM 846 O OD1 . ASP A 0 111 . 24.095 13.308 -12.648 1.00 52.51 111 A 1 ATOM 847 O OD2 . ASP A 0 111 . 24.119 12.201 -10.730 1.00 52.51 111 A 1 ATOM 848 N N . ILE A 0 112 . 23.242 11.125 -15.745 1.00 54.20 112 A 1 ATOM 849 C CA . ILE A 0 112 . 24.007 10.308 -16.697 1.00 54.20 112 A 1 ATOM 850 C C . ILE A 0 112 . 25.495 10.612 -16.503 1.00 54.20 112 A 1 ATOM 851 C CB . ILE A 0 112 . 23.551 10.579 -18.156 1.00 54.20 112 A 1 ATOM 852 O O . ILE A 0 112 . 25.939 11.720 -16.803 1.00 54.20 112 A 1 ATOM 853 C CG1 . ILE A 0 112 . 22.072 10.186 -18.369 1.00 54.20 112 A 1 ATOM 854 C CG2 . ILE A 0 112 . 24.435 9.801 -19.152 1.00 54.20 112 A 1 ATOM 855 C CD1 . ILE A 0 112 . 21.461 10.636 -19.701 1.00 54.20 112 A 1 ATOM 856 N N . GLN A 0 113 . 26.291 9.623 -16.081 1.00 51.60 113 A 1 ATOM 857 C CA . GLN A 0 113 . 27.753 9.731 -16.089 1.00 51.60 113 A 1 ATOM 858 C C . GLN A 0 113 . 28.350 9.019 -17.305 1.00 51.60 113 A 1 ATOM 859 C CB . GLN A 0 113 . 28.377 9.217 -14.785 1.00 51.60 113 A 1 ATOM 860 O O . GLN A 0 113 . 28.317 7.792 -17.426 1.00 51.60 113 A 1 ATOM 861 C CG . GLN A 0 113 . 28.306 10.254 -13.655 1.00 51.60 113 A 1 ATOM 862 C CD . GLN A 0 113 . 29.343 9.961 -12.575 1.00 51.60 113 A 1 ATOM 863 N NE2 . GLN A 0 113 . 30.177 10.915 -12.220 1.00 51.60 113 A 1 ATOM 864 O OE1 . GLN A 0 113 . 29.454 8.866 -12.050 1.00 51.60 113 A 1 ATOM 865 N N . CYS A 0 114 . 28.951 9.794 -18.203 1.00 55.02 114 A 1 ATOM 866 C CA . CYS A 0 114 . 29.708 9.260 -19.328 1.00 55.02 114 A 1 ATOM 867 C C . CYS A 0 114 . 31.150 8.945 -18.917 1.00 55.02 114 A 1 ATOM 868 C CB . CYS A 0 114 . 29.553 10.176 -20.541 1.00 55.02 114 A 1 ATOM 869 O O . CYS A 0 114 . 31.851 9.801 -18.382 1.00 55.02 114 A 1 ATOM 870 S SG . CYS A 0 114 . 27.828 10.312 -21.116 1.00 55.02 114 A 1 ATOM 871 N N . HIS A 0 115 . 31.574 7.698 -19.141 1.00 55.13 115 A 1 ATOM 872 C CA . HIS A 0 115 . 32.928 7.234 -18.863 1.00 55.13 115 A 1 ATOM 873 C C . HIS A 0 115 . 33.730 7.159 -20.167 1.00 55.13 115 A 1 ATOM 874 C CB . HIS A 0 115 . 32.897 5.888 -18.122 1.00 55.13 115 A 1 ATOM 875 O O . HIS A 0 115 . 33.396 6.402 -21.086 1.00 55.13 115 A 1 ATOM 876 C CG . HIS A 0 115 . 32.453 6.000 -16.683 1.00 55.13 115 A 1 ATOM 877 C CD2 . HIS A 0 115 . 33.267 6.040 -15.583 1.00 55.13 115 A 1 ATOM 878 N ND1 . HIS A 0 115 . 31.156 6.083 -16.224 1.00 55.13 115 A 1 ATOM 879 C CE1 . HIS A 0 115 . 31.193 6.158 -14.882 1.00 55.13 115 A 1 ATOM 880 N NE2 . HIS A 0 115 . 32.463 6.139 -14.445 1.00 55.13 115 A 1 ATOM 881 N N . CYS A 0 116 . 34.817 7.931 -20.227 1.00 44.12 116 A 1 ATOM 882 C CA . CYS A 0 116 . 35.794 7.868 -21.310 1.00 44.12 116 A 1 ATOM 883 C C . CYS A 0 116 . 36.748 6.670 -21.096 1.00 44.12 116 A 1 ATOM 884 C CB . CYS A 0 116 . 36.579 9.190 -21.392 1.00 44.12 116 A 1 ATOM 885 O O . CYS A 0 116 . 37.141 6.391 -19.957 1.00 44.12 116 A 1 ATOM 886 S SG . CYS A 0 116 . 35.488 10.644 -21.471 1.00 44.12 116 A 1 ATOM 887 N N . PRO A 0 117 . 37.173 5.955 -22.154 1.00 44.65 117 A 1 ATOM 888 C CA . PRO A 0 117 . 38.214 4.938 -22.032 1.00 44.65 117 A 1 ATOM 889 C C . PRO A 0 117 . 39.561 5.557 -21.610 1.00 44.65 117 A 1 ATOM 890 C CB . PRO A 0 117 . 38.259 4.227 -23.390 1.00 44.65 117 A 1 ATOM 891 O O . PRO A 0 117 . 39.905 6.676 -21.998 1.00 44.65 117 A 1 ATOM 892 C CG . PRO A 0 117 . 37.683 5.254 -24.368 1.00 44.65 117 A 1 ATOM 893 C CD . PRO A 0 117 . 36.708 6.072 -23.526 1.00 44.65 117 A 1 ATOM 894 N N . LEU A 0 118 . 40.331 4.806 -20.809 1.00 39.16 118 A 1 ATOM 895 C CA . LEU A 0 118 . 41.635 5.197 -20.251 1.00 39.16 118 A 1 ATOM 896 C C . LEU A 0 118 . 42.543 5.839 -21.314 1.00 39.16 118 A 1 ATOM 897 C CB . LEU A 0 118 . 42.318 3.945 -19.655 1.00 39.16 118 A 1 ATOM 898 O O . LEU A 0 118 . 42.969 5.174 -22.257 1.00 39.16 118 A 1 ATOM 899 C CG . LEU A 0 118 . 41.860 3.590 -18.228 1.00 39.16 118 A 1 ATOM 900 C CD1 . LEU A 0 118 . 42.131 2.115 -17.933 1.00 39.16 118 A 1 ATOM 901 C CD2 . LEU A 0 118 . 42.608 4.428 -17.187 1.00 39.16 118 A 1 ATOM 902 N N . GLY A 0 119 . 42.854 7.125 -21.134 1.00 39.40 119 A 1 ATOM 903 C CA . GLY A 0 119 . 43.722 7.901 -22.029 1.00 39.40 119 A 1 ATOM 904 C C . GLY A 0 119 . 43.047 9.085 -22.725 1.00 39.40 119 A 1 ATOM 905 O O . GLY A 0 119 . 43.745 9.877 -23.352 1.00 39.40 119 A 1 ATOM 906 N N . TRP A 0 120 . 41.732 9.251 -22.582 1.00 38.78 120 A 1 ATOM 907 C CA . TRP A 0 120 . 41.006 10.407 -23.106 1.00 38.78 120 A 1 ATOM 908 C C . TRP A 0 120 . 40.513 11.287 -21.956 1.00 38.78 120 A 1 ATOM 909 C CB . TRP A 0 120 . 39.885 9.922 -24.032 1.00 38.78 120 A 1 ATOM 910 O O . TRP A 0 120 . 39.816 10.815 -21.061 1.00 38.78 120 A 1 ATOM 911 C CG . TRP A 0 120 . 40.388 9.244 -25.273 1.00 38.78 120 A 1 ATOM 912 C CD1 . TRP A 0 120 . 40.821 7.965 -25.347 1.00 38.78 120 A 1 ATOM 913 C CD2 . TRP A 0 120 . 40.554 9.799 -26.615 1.00 38.78 120 A 1 ATOM 914 C CE2 . TRP A 0 120 . 41.116 8.790 -27.453 1.00 38.78 120 A 1 ATOM 915 C CE3 . TRP A 0 120 . 40.286 11.051 -27.209 1.00 38.78 120 A 1 ATOM 916 N NE1 . TRP A 0 120 . 41.259 7.694 -26.629 1.00 38.78 120 A 1 ATOM 917 C CH2 . TRP A 0 120 . 41.125 10.271 -29.368 1.00 38.78 120 A 1 ATOM 918 C CZ2 . TRP A 0 120 . 41.402 9.012 -28.809 1.00 38.78 120 A 1 ATOM 919 C CZ3 . TRP A 0 120 . 40.567 11.286 -28.570 1.00 38.78 120 A 1 ATOM 920 N N . SER A 0 121 . 40.900 12.564 -21.966 1.00 40.13 121 A 1 ATOM 921 C CA . SER A 0 121 . 40.318 13.603 -21.116 1.00 40.13 121 A 1 ATOM 922 C C . SER A 0 121 . 39.649 14.654 -22.000 1.00 40.13 121 A 1 ATOM 923 C CB . SER A 0 121 . 41.350 14.208 -20.154 1.00 40.13 121 A 1 ATOM 924 O O . SER A 0 121 . 40.260 15.196 -22.922 1.00 40.13 121 A 1 ATOM 925 O OG . SER A 0 121 . 42.473 14.754 -20.823 1.00 40.13 121 A 1 ATOM 926 N N . GLY A 0 122 . 38.375 14.925 -21.723 1.00 41.85 122 A 1 ATOM 927 C CA . GLY A 0 122 . 37.555 15.893 -22.442 1.00 41.85 122 A 1 ATOM 928 C C . GLY A 0 122 . 36.614 16.620 -21.486 1.00 41.85 122 A 1 ATOM 929 O O . GLY A 0 122 . 35.528 16.132 -21.233 1.00 41.85 122 A 1 ATOM 930 N N . ARG A 0 123 . 37.131 17.741 -20.964 1.00 37.53 123 A 1 ATOM 931 C CA . ARG A 0 123 . 36.547 18.891 -20.240 1.00 37.53 123 A 1 ATOM 932 C C . ARG A 0 123 . 35.302 18.727 -19.360 1.00 37.53 123 A 1 ATOM 933 C CB . ARG A 0 123 . 36.384 20.062 -21.214 1.00 37.53 123 A 1 ATOM 934 O O . ARG A 0 123 . 34.194 18.590 -19.911 1.00 37.53 123 A 1 ATOM 935 C CG . ARG A 0 123 . 36.427 21.394 -20.457 1.00 37.53 123 A 1 ATOM 936 C CD . ARG A 0 123 . 36.342 22.563 -21.445 1.00 37.53 123 A 1 ATOM 937 N NE . ARG A 0 123 . 37.432 23.538 -21.245 1.00 37.53 123 A 1 ATOM 938 N NH1 . ARG A 0 123 . 37.123 24.691 -23.198 1.00 37.53 123 A 1 ATOM 939 N NH2 . ARG A 0 123 . 38.767 25.289 -21.812 1.00 37.53 123 A 1 ATOM 940 C CZ . ARG A 0 123 . 37.768 24.498 -22.082 1.00 37.53 123 A 1 ATOM 941 O OXT . ARG A 0 123 . 35.507 19.013 -18.161 1.00 37.53 123 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 70.98 # loop_ _atom_type.symbol C N O S #