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 LYS 0 3 ASP 0 4 VAL 0 5 SER 0 6 ASN 0 7 LEU 0 8 ILE 0 9 SER 0 10 LEU 0 11 GLY 0 12 SER 0 13 LYS 0 14 ALA 0 15 LEU 0 16 SER 0 17 ILE 0 18 LYS 0 19 PRO 0 20 ALA 0 21 LYS 0 22 CYS 0 23 ILE 0 24 ARG 0 25 VAL 0 26 TYR 0 27 ASN 0 28 LYS 0 29 ARG 0 30 ASN 0 31 LYS 0 32 GLY 0 33 THR 0 34 ILE 0 35 GLY 0 36 ASP 0 37 LYS 0 38 VAL 0 39 LEU 0 40 VAL 0 41 ALA 0 42 VAL 0 43 ASN 0 44 GLY 0 45 GLU 0 46 MET 0 47 LYS 0 48 ARG 0 49 GLY 0 50 TRP 0 51 ILE 0 52 VAL 0 53 GLY 0 54 ALA 0 55 ARG 0 56 LEU 0 57 PRO 0 58 SER 0 59 VAL 0 60 ASN 0 61 GLY 0 62 TRP 0 63 PRO 0 64 ARG 0 65 PHE 0 66 ASP 0 67 SER 0 68 ASN 0 69 ASN 0 70 ILE 0 71 VAL 0 72 LEU 0 73 VAL 0 74 ASP 0 75 ASN 0 76 ASP 0 77 GLY 0 78 ASN 0 79 PRO 0 80 LEU 0 81 GLY 0 82 THR 0 83 ARG 0 84 ILE 0 85 LEU 0 86 VAL 0 87 PRO 0 88 ILE 0 89 PRO 0 90 ALA 0 91 ARG 0 92 LEU 0 93 ARG 0 94 SER 0 95 LEU 0 96 SER 0 97 GLY 0 98 ASP 0 99 ILE 0 100 THR 0 101 LYS 0 102 ILE 0 103 LEU 0 104 SER 0 105 ILE 0 106 ALA 0 107 SER 0 108 SER 0 109 PHE 0 110 VAL # 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 . -31.647 -7.791 26.263 1.00 54.38 1 A 1 ATOM 2 C CA . MET A 0 1 . -30.694 -6.797 26.827 1.00 54.38 1 A 1 ATOM 3 C C . MET A 0 1 . -29.416 -6.604 26.004 1.00 54.38 1 A 1 ATOM 4 C CB . MET A 0 1 . -30.356 -7.058 28.306 1.00 54.38 1 A 1 ATOM 5 O O . MET A 0 1 . -28.842 -5.529 26.100 1.00 54.38 1 A 1 ATOM 6 C CG . MET A 0 1 . -31.259 -6.226 29.223 1.00 54.38 1 A 1 ATOM 7 S SD . MET A 0 1 . -30.795 -6.352 30.967 1.00 54.38 1 A 1 ATOM 8 C CE . MET A 0 1 . -32.386 -6.793 31.717 1.00 54.38 1 A 1 ATOM 9 N N . LYS A 0 2 . -28.962 -7.567 25.182 1.00 56.29 2 A 1 ATOM 10 C CA . LYS A 0 2 . -27.749 -7.391 24.352 1.00 56.29 2 A 1 ATOM 11 C C . LYS A 0 2 . -27.950 -6.417 23.174 1.00 56.29 2 A 1 ATOM 12 C CB . LYS A 0 2 . -27.228 -8.766 23.889 1.00 56.29 2 A 1 ATOM 13 O O . LYS A 0 2 . -27.009 -5.721 22.796 1.00 56.29 2 A 1 ATOM 14 C CG . LYS A 0 2 . -26.710 -9.616 25.068 1.00 56.29 2 A 1 ATOM 15 C CD . LYS A 0 2 . -26.182 -10.985 24.607 1.00 56.29 2 A 1 ATOM 16 C CE . LYS A 0 2 . -25.632 -11.785 25.800 1.00 56.29 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -25.147 -13.132 25.395 1.00 56.29 2 A 1 ATOM 18 N N . ASP A 0 3 . -29.176 -6.277 22.670 1.00 66.05 3 A 1 ATOM 19 C CA . ASP A 0 3 . -29.465 -5.454 21.484 1.00 66.05 3 A 1 ATOM 20 C C . ASP A 0 3 . -29.240 -3.955 21.705 1.00 66.05 3 A 1 ATOM 21 C CB . ASP A 0 3 . -30.897 -5.730 21.010 1.00 66.05 3 A 1 ATOM 22 O O . ASP A 0 3 . -28.674 -3.291 20.842 1.00 66.05 3 A 1 ATOM 23 C CG . ASP A 0 3 . -31.072 -7.231 20.826 1.00 66.05 3 A 1 ATOM 24 O OD1 . ASP A 0 3 . -30.316 -7.792 20.007 1.00 66.05 3 A 1 ATOM 25 O OD2 . ASP A 0 3 . -31.762 -7.815 21.692 1.00 66.05 3 A 1 ATOM 26 N N . VAL A 0 4 . -29.578 -3.430 22.889 1.00 70.11 4 A 1 ATOM 27 C CA . VAL A 0 4 . -29.373 -2.005 23.213 1.00 70.11 4 A 1 ATOM 28 C C . VAL A 0 4 . -27.880 -1.667 23.257 1.00 70.11 4 A 1 ATOM 29 C CB . VAL A 0 4 . -30.069 -1.618 24.534 1.00 70.11 4 A 1 ATOM 30 O O . VAL A 0 4 . -27.455 -0.661 22.694 1.00 70.11 4 A 1 ATOM 31 C CG1 . VAL A 0 4 . -29.966 -0.112 24.800 1.00 70.11 4 A 1 ATOM 32 C CG2 . VAL A 0 4 . -31.559 -1.991 24.520 1.00 70.11 4 A 1 ATOM 33 N N . SER A 0 5 . -27.057 -2.542 23.851 1.00 61.71 5 A 1 ATOM 34 C CA . SER A 0 5 . -25.600 -2.353 23.880 1.00 61.71 5 A 1 ATOM 35 C C . SER A 0 5 . -24.974 -2.417 22.482 1.00 61.71 5 A 1 ATOM 36 C CB . SER A 0 5 . -24.935 -3.347 24.840 1.00 61.71 5 A 1 ATOM 37 O O . SER A 0 5 . -24.118 -1.594 22.154 1.00 61.71 5 A 1 ATOM 38 O OG . SER A 0 5 . -25.076 -4.707 24.462 1.00 61.71 5 A 1 ATOM 39 N N . ASN A 0 6 . -25.454 -3.326 21.623 1.00 62.19 6 A 1 ATOM 40 C CA . ASN A 0 6 . -24.989 -3.409 20.241 1.00 62.19 6 A 1 ATOM 41 C C . ASN A 0 6 . -25.387 -2.167 19.440 1.00 62.19 6 A 1 ATOM 42 C CB . ASN A 0 6 . -25.500 -4.704 19.581 1.00 62.19 6 A 1 ATOM 43 O O . ASN A 0 6 . -24.533 -1.626 18.738 1.00 62.19 6 A 1 ATOM 44 C CG . ASN A 0 6 . -24.525 -5.865 19.690 1.00 62.19 6 A 1 ATOM 45 N ND2 . ASN A 0 6 . -24.871 -6.997 19.126 1.00 62.19 6 A 1 ATOM 46 O OD1 . ASN A 0 6 . -23.443 -5.781 20.243 1.00 62.19 6 A 1 ATOM 47 N N . LEU A 0 7 . -26.623 -1.673 19.589 1.00 61.67 7 A 1 ATOM 48 C CA . LEU A 0 7 . -27.111 -0.479 18.893 1.00 61.67 7 A 1 ATOM 49 C C . LEU A 0 7 . -26.295 0.770 19.263 1.00 61.67 7 A 1 ATOM 50 C CB . LEU A 0 7 . -28.602 -0.279 19.219 1.00 61.67 7 A 1 ATOM 51 O O . LEU A 0 7 . -25.867 1.507 18.376 1.00 61.67 7 A 1 ATOM 52 C CG . LEU A 0 7 . -29.300 0.646 18.199 1.00 61.67 7 A 1 ATOM 53 C CD1 . LEU A 0 7 . -30.112 -0.177 17.198 1.00 61.67 7 A 1 ATOM 54 C CD2 . LEU A 0 7 . -30.238 1.629 18.897 1.00 61.67 7 A 1 ATOM 55 N N . ILE A 0 8 . -26.003 0.967 20.555 1.00 59.29 8 A 1 ATOM 56 C CA . ILE A 0 8 . -25.151 2.071 21.026 1.00 59.29 8 A 1 ATOM 57 C C . ILE A 0 8 . -23.726 1.917 20.478 1.00 59.29 8 A 1 ATOM 58 C CB . ILE A 0 8 . -25.175 2.166 22.572 1.00 59.29 8 A 1 ATOM 59 O O . ILE A 0 8 . -23.136 2.897 20.020 1.00 59.29 8 A 1 ATOM 60 C CG1 . ILE A 0 8 . -26.594 2.523 23.075 1.00 59.29 8 A 1 ATOM 61 C CG2 . ILE A 0 8 . -24.169 3.223 23.074 1.00 59.29 8 A 1 ATOM 62 C CD1 . ILE A 0 8 . -26.782 2.319 24.584 1.00 59.29 8 A 1 ATOM 63 N N . SER A 0 9 . -23.174 0.696 20.453 1.00 59.48 9 A 1 ATOM 64 C CA . SER A 0 9 . -21.833 0.448 19.901 1.00 59.48 9 A 1 ATOM 65 C C . SER A 0 9 . -21.756 0.716 18.388 1.00 59.48 9 A 1 ATOM 66 C CB . SER A 0 9 . -21.363 -0.973 20.242 1.00 59.48 9 A 1 ATOM 67 O O . SER A 0 9 . -20.773 1.285 17.911 1.00 59.48 9 A 1 ATOM 68 O OG . SER A 0 9 . -21.811 -1.931 19.302 1.00 59.48 9 A 1 ATOM 69 N N . LEU A 0 10 . -22.813 0.366 17.643 1.00 58.25 10 A 1 ATOM 70 C CA . LEU A 0 10 . -22.951 0.611 16.206 1.00 58.25 10 A 1 ATOM 71 C C . LEU A 0 10 . -23.081 2.111 15.921 1.00 58.25 10 A 1 ATOM 72 C CB . LEU A 0 10 . -24.172 -0.172 15.679 1.00 58.25 10 A 1 ATOM 73 O O . LEU A 0 10 . -22.349 2.633 15.079 1.00 58.25 10 A 1 ATOM 74 C CG . LEU A 0 10 . -23.867 -1.654 15.391 1.00 58.25 10 A 1 ATOM 75 C CD1 . LEU A 0 10 . -25.133 -2.507 15.469 1.00 58.25 10 A 1 ATOM 76 C CD2 . LEU A 0 10 . -23.278 -1.819 13.987 1.00 58.25 10 A 1 ATOM 77 N N . GLY A 0 11 . -23.934 2.814 16.675 1.00 51.70 11 A 1 ATOM 78 C CA . GLY A 0 11 . -24.084 4.267 16.584 1.00 51.70 11 A 1 ATOM 79 C C . GLY A 0 11 . -22.776 4.999 16.891 1.00 51.70 11 A 1 ATOM 80 O O . GLY A 0 11 . -22.360 5.870 16.135 1.00 51.70 11 A 1 ATOM 81 N N . SER A 0 12 . -22.053 4.573 17.929 1.00 55.14 12 A 1 ATOM 82 C CA . SER A 0 12 . -20.759 5.158 18.314 1.00 55.14 12 A 1 ATOM 83 C C . SER A 0 12 . -19.679 4.973 17.241 1.00 55.14 12 A 1 ATOM 84 C CB . SER A 0 12 . -20.255 4.523 19.612 1.00 55.14 12 A 1 ATOM 85 O O . SER A 0 12 . -18.902 5.894 16.986 1.00 55.14 12 A 1 ATOM 86 O OG . SER A 0 12 . -21.201 4.620 20.654 1.00 55.14 12 A 1 ATOM 87 N N . LYS A 0 13 . -19.627 3.798 16.591 1.00 55.86 13 A 1 ATOM 88 C CA . LYS A 0 13 . -18.690 3.528 15.485 1.00 55.86 13 A 1 ATOM 89 C C . LYS A 0 13 . -18.991 4.384 14.254 1.00 55.86 13 A 1 ATOM 90 C CB . LYS A 0 13 . -18.707 2.034 15.119 1.00 55.86 13 A 1 ATOM 91 O O . LYS A 0 13 . -18.053 4.837 13.602 1.00 55.86 13 A 1 ATOM 92 C CG . LYS A 0 13 . -17.892 1.176 16.098 1.00 55.86 13 A 1 ATOM 93 C CD . LYS A 0 13 . -17.914 -0.296 15.663 1.00 55.86 13 A 1 ATOM 94 C CE . LYS A 0 13 . -17.088 -1.157 16.627 1.00 55.86 13 A 1 ATOM 95 N NZ . LYS A 0 13 . -16.981 -2.563 16.159 1.00 55.86 13 A 1 ATOM 96 N N . ALA A 0 14 . -20.268 4.629 13.959 1.00 55.56 14 A 1 ATOM 97 C CA . ALA A 0 14 . -20.684 5.479 12.845 1.00 55.56 14 A 1 ATOM 98 C C . ALA A 0 14 . -20.388 6.971 13.092 1.00 55.56 14 A 1 ATOM 99 C CB . ALA A 0 14 . -22.174 5.232 12.586 1.00 55.56 14 A 1 ATOM 100 O O . ALA A 0 14 . -19.994 7.680 12.169 1.00 55.56 14 A 1 ATOM 101 N N . LEU A 0 15 . -20.531 7.443 14.337 1.00 53.23 15 A 1 ATOM 102 C CA . LEU A 0 15 . -20.448 8.869 14.687 1.00 53.23 15 A 1 ATOM 103 C C . LEU A 0 15 . -19.035 9.469 14.637 1.00 53.23 15 A 1 ATOM 104 C CB . LEU A 0 15 . -21.076 9.074 16.077 1.00 53.23 15 A 1 ATOM 105 O O . LEU A 0 15 . -18.888 10.689 14.649 1.00 53.23 15 A 1 ATOM 106 C CG . LEU A 0 15 . -22.615 9.018 16.081 1.00 53.23 15 A 1 ATOM 107 C CD1 . LEU A 0 15 . -23.114 8.924 17.524 1.00 53.23 15 A 1 ATOM 108 C CD2 . LEU A 0 15 . -23.243 10.251 15.431 1.00 53.23 15 A 1 ATOM 109 N N . SER A 0 16 . -17.979 8.658 14.573 1.00 58.03 16 A 1 ATOM 110 C CA . SER A 0 16 . -16.614 9.180 14.484 1.00 58.03 16 A 1 ATOM 111 C C . SER A 0 16 . -15.788 8.362 13.503 1.00 58.03 16 A 1 ATOM 112 C CB . SER A 0 16 . -15.994 9.283 15.885 1.00 58.03 16 A 1 ATOM 113 O O . SER A 0 16 . -14.899 7.601 13.894 1.00 58.03 16 A 1 ATOM 114 O OG . SER A 0 16 . -14.923 10.216 15.901 1.00 58.03 16 A 1 ATOM 115 N N . ILE A 0 17 . -16.063 8.546 12.207 1.00 64.26 17 A 1 ATOM 116 C CA . ILE A 0 17 . -15.123 8.177 11.143 1.00 64.26 17 A 1 ATOM 117 C C . ILE A 0 17 . -13.890 9.070 11.322 1.00 64.26 17 A 1 ATOM 118 C CB . ILE A 0 17 . -15.748 8.297 9.732 1.00 64.26 17 A 1 ATOM 119 O O . ILE A 0 17 . -13.781 10.165 10.771 1.00 64.26 17 A 1 ATOM 120 C CG1 . ILE A 0 17 . -17.025 7.432 9.617 1.00 64.26 17 A 1 ATOM 121 C CG2 . ILE A 0 17 . -14.711 7.864 8.673 1.00 64.26 17 A 1 ATOM 122 C CD1 . ILE A 0 17 . -17.789 7.622 8.300 1.00 64.26 17 A 1 ATOM 123 N N . LYS A 0 18 . -12.979 8.640 12.194 1.00 73.51 18 A 1 ATOM 124 C CA . LYS A 0 18 . -11.718 9.337 12.427 1.00 73.51 18 A 1 ATOM 125 C C . LYS A 0 18 . -10.865 9.174 11.172 1.00 73.51 18 A 1 ATOM 126 C CB . LYS A 0 18 . -11.014 8.805 13.684 1.00 73.51 18 A 1 ATOM 127 O O . LYS A 0 18 . -10.758 8.054 10.666 1.00 73.51 18 A 1 ATOM 128 C CG . LYS A 0 18 . -11.744 9.289 14.945 1.00 73.51 18 A 1 ATOM 129 C CD . LYS A 0 18 . -11.237 8.603 16.218 1.00 73.51 18 A 1 ATOM 130 C CE . LYS A 0 18 . -12.061 9.124 17.403 1.00 73.51 18 A 1 ATOM 131 N NZ . LYS A 0 18 . -12.054 8.188 18.556 1.00 73.51 18 A 1 ATOM 132 N N . PRO A 0 19 . -10.227 10.250 10.682 1.00 81.35 19 A 1 ATOM 133 C CA . PRO A 0 19 . -9.331 10.134 9.545 1.00 81.35 19 A 1 ATOM 134 C C . PRO A 0 19 . -8.226 9.129 9.869 1.00 81.35 19 A 1 ATOM 135 C CB . PRO A 0 19 . -8.789 11.544 9.296 1.00 81.35 19 A 1 ATOM 136 O O . PRO A 0 19 . -7.762 9.049 11.012 1.00 81.35 19 A 1 ATOM 137 C CG . PRO A 0 19 . -8.899 12.214 10.665 1.00 81.35 19 A 1 ATOM 138 C CD . PRO A 0 19 . -10.162 11.588 11.253 1.00 81.35 19 A 1 ATOM 139 N N . ALA A 0 20 . -7.808 8.363 8.862 1.00 85.15 20 A 1 ATOM 140 C CA . ALA A 0 20 . -6.724 7.411 9.025 1.00 85.15 20 A 1 ATOM 141 C C . ALA A 0 20 . -5.446 8.146 9.456 1.00 85.15 20 A 1 ATOM 142 C CB . ALA A 0 20 . -6.535 6.615 7.729 1.00 85.15 20 A 1 ATOM 143 O O . ALA A 0 20 . -5.042 9.130 8.832 1.00 85.15 20 A 1 ATOM 144 N N . LYS A 0 21 . -4.808 7.674 10.529 1.00 90.48 21 A 1 ATOM 145 C CA . LYS A 0 21 . -3.565 8.261 11.051 1.00 90.48 21 A 1 ATOM 146 C C . LYS A 0 21 . -2.406 7.296 10.855 1.00 90.48 21 A 1 ATOM 147 C CB . LYS A 0 21 . -3.720 8.678 12.523 1.00 90.48 21 A 1 ATOM 148 O O . LYS A 0 21 . -2.527 6.113 11.161 1.00 90.48 21 A 1 ATOM 149 C CG . LYS A 0 21 . -4.700 9.850 12.693 1.00 90.48 21 A 1 ATOM 150 C CD . LYS A 0 21 . -4.746 10.339 14.147 1.00 90.48 21 A 1 ATOM 151 C CE . LYS A 0 21 . -5.741 11.500 14.275 1.00 90.48 21 A 1 ATOM 152 N NZ . LYS A 0 21 . -5.768 12.056 15.653 1.00 90.48 21 A 1 ATOM 153 N N . CYS A 0 22 . -1.269 7.799 10.385 1.00 91.94 22 A 1 ATOM 154 C CA . CYS A 0 22 . -0.031 7.027 10.358 1.00 91.94 22 A 1 ATOM 155 C C . CYS A 0 22 . 0.544 6.928 11.775 1.00 91.94 22 A 1 ATOM 156 C CB . CYS A 0 22 . 0.946 7.663 9.362 1.00 91.94 22 A 1 ATOM 157 O O . CYS A 0 22 . 0.757 7.948 12.425 1.00 91.94 22 A 1 ATOM 158 S SG . CYS A 0 22 . 2.455 6.657 9.254 1.00 91.94 22 A 1 ATOM 159 N N . ILE A 0 23 . 0.796 5.704 12.240 1.00 93.16 23 A 1 ATOM 160 C CA . ILE A 0 23 . 1.409 5.421 13.543 1.00 93.16 23 A 1 ATOM 161 C C . ILE A 0 23 . 2.924 5.299 13.382 1.00 93.16 23 A 1 ATOM 162 C CB . ILE A 0 23 . 0.825 4.127 14.164 1.00 93.16 23 A 1 ATOM 163 O O . ILE A 0 23 . 3.688 5.920 14.117 1.00 93.16 23 A 1 ATOM 164 C CG1 . ILE A 0 23 . -0.718 4.172 14.267 1.00 93.16 23 A 1 ATOM 165 C CG2 . ILE A 0 23 . 1.462 3.871 15.545 1.00 93.16 23 A 1 ATOM 166 C CD1 . ILE A 0 23 . -1.315 2.864 14.804 1.00 93.16 23 A 1 ATOM 167 N N . ARG A 0 24 . 3.369 4.475 12.424 1.00 94.27 24 A 1 ATOM 168 C CA . ARG A 0 24 . 4.788 4.149 12.239 1.00 94.27 24 A 1 ATOM 169 C C . ARG A 0 24 . 5.084 3.758 10.797 1.00 94.27 24 A 1 ATOM 170 C CB . ARG A 0 24 . 5.166 3.022 13.220 1.00 94.27 24 A 1 ATOM 171 O O . ARG A 0 24 . 4.315 3.032 10.182 1.00 94.27 24 A 1 ATOM 172 C CG . ARG A 0 24 . 6.652 2.648 13.143 1.00 94.27 24 A 1 ATOM 173 C CD . ARG A 0 24 . 7.024 1.611 14.203 1.00 94.27 24 A 1 ATOM 174 N NE . ARG A 0 24 . 8.452 1.254 14.097 1.00 94.27 24 A 1 ATOM 175 N NH1 . ARG A 0 24 . 9.277 2.619 15.757 1.00 94.27 24 A 1 ATOM 176 N NH2 . ARG A 0 24 . 10.671 1.333 14.591 1.00 94.27 24 A 1 ATOM 177 C CZ . ARG A 0 24 . 9.453 1.738 14.811 1.00 94.27 24 A 1 ATOM 178 N N . VAL A 0 25 . 6.242 4.171 10.295 1.00 96.34 25 A 1 ATOM 179 C CA . VAL A 0 25 . 6.820 3.658 9.046 1.00 96.34 25 A 1 ATOM 180 C C . VAL A 0 25 . 7.844 2.583 9.403 1.00 96.34 25 A 1 ATOM 181 C CB . VAL A 0 25 . 7.465 4.791 8.229 1.00 96.34 25 A 1 ATOM 182 O O . VAL A 0 25 . 8.650 2.784 10.312 1.00 96.34 25 A 1 ATOM 183 C CG1 . VAL A 0 25 . 7.934 4.289 6.860 1.00 96.34 25 A 1 ATOM 184 C CG2 . VAL A 0 25 . 6.502 5.970 8.026 1.00 96.34 25 A 1 ATOM 185 N N . TYR A 0 26 . 7.849 1.450 8.703 1.00 92.63 26 A 1 ATOM 186 C CA . TYR A 0 26 . 8.813 0.363 8.924 1.00 92.63 26 A 1 ATOM 187 C C . TYR A 0 26 . 10.177 0.661 8.274 1.00 92.63 26 A 1 ATOM 188 C CB . TYR A 0 26 . 8.217 -0.976 8.480 1.00 92.63 26 A 1 ATOM 189 O O . TYR A 0 26 . 10.739 -0.157 7.554 1.00 92.63 26 A 1 ATOM 190 C CG . TYR A 0 26 . 7.052 -1.462 9.322 1.00 92.63 26 A 1 ATOM 191 C CD1 . TYR A 0 26 . 7.295 -2.114 10.545 1.00 92.63 26 A 1 ATOM 192 C CD2 . TYR A 0 26 . 5.729 -1.297 8.874 1.00 92.63 26 A 1 ATOM 193 C CE1 . TYR A 0 26 . 6.220 -2.606 11.310 1.00 92.63 26 A 1 ATOM 194 C CE2 . TYR A 0 26 . 4.649 -1.796 9.624 1.00 92.63 26 A 1 ATOM 195 O OH . TYR A 0 26 . 3.860 -2.948 11.572 1.00 92.63 26 A 1 ATOM 196 C CZ . TYR A 0 26 . 4.895 -2.455 10.844 1.00 92.63 26 A 1 ATOM 197 N N . ASN A 0 27 . 10.716 1.849 8.537 1.00 91.47 27 A 1 ATOM 198 C CA . ASN A 0 27 . 12.024 2.298 8.074 1.00 91.47 27 A 1 ATOM 199 C C . ASN A 0 27 . 12.746 2.999 9.237 1.00 91.47 27 A 1 ATOM 200 C CB . ASN A 0 27 . 11.820 3.189 6.831 1.00 91.47 27 A 1 ATOM 201 O O . ASN A 0 27 . 12.113 3.636 10.077 1.00 91.47 27 A 1 ATOM 202 C CG . ASN A 0 27 . 13.101 3.563 6.100 1.00 91.47 27 A 1 ATOM 203 N ND2 . ASN A 0 27 . 12.984 4.072 4.900 1.00 91.47 27 A 1 ATOM 204 O OD1 . ASN A 0 27 . 14.210 3.443 6.607 1.00 91.47 27 A 1 ATOM 205 N N . LYS A 0 28 . 14.080 2.929 9.275 1.00 92.27 28 A 1 ATOM 206 C CA . LYS A 0 28 . 14.924 3.560 10.304 1.00 92.27 28 A 1 ATOM 207 C C . LYS A 0 28 . 14.693 5.070 10.419 1.00 92.27 28 A 1 ATOM 208 C CB . LYS A 0 28 . 16.407 3.293 9.989 1.00 92.27 28 A 1 ATOM 209 O O . LYS A 0 28 . 14.798 5.626 11.504 1.00 92.27 28 A 1 ATOM 210 C CG . LYS A 0 28 . 16.786 1.804 10.072 1.00 92.27 28 A 1 ATOM 211 C CD . LYS A 0 28 . 18.286 1.599 9.803 1.00 92.27 28 A 1 ATOM 212 C CE . LYS A 0 28 . 18.652 0.111 9.914 1.00 92.27 28 A 1 ATOM 213 N NZ . LYS A 0 28 . 20.098 -0.136 9.665 1.00 92.27 28 A 1 ATOM 214 N N . ARG A 0 29 . 14.377 5.738 9.303 1.00 92.03 29 A 1 ATOM 215 C CA . ARG A 0 29 . 14.206 7.201 9.245 1.00 92.03 29 A 1 ATOM 216 C C . ARG A 0 29 . 12.834 7.694 9.723 1.00 92.03 29 A 1 ATOM 217 C CB . ARG A 0 29 . 14.516 7.705 7.822 1.00 92.03 29 A 1 ATOM 218 O O . ARG A 0 29 . 12.643 8.904 9.780 1.00 92.03 29 A 1 ATOM 219 C CG . ARG A 0 29 . 15.978 7.463 7.410 1.00 92.03 29 A 1 ATOM 220 C CD . ARG A 0 29 . 16.231 7.992 5.993 1.00 92.03 29 A 1 ATOM 221 N NE . ARG A 0 29 . 17.625 7.765 5.562 1.00 92.03 29 A 1 ATOM 222 N NH1 . ARG A 0 29 . 17.359 8.341 3.351 1.00 92.03 29 A 1 ATOM 223 N NH2 . ARG A 0 29 . 19.361 7.703 4.084 1.00 92.03 29 A 1 ATOM 224 C CZ . ARG A 0 29 . 18.105 7.936 4.341 1.00 92.03 29 A 1 ATOM 225 N N . ASN A 0 30 . 11.874 6.801 9.998 1.00 90.72 30 A 1 ATOM 226 C CA . ASN A 0 30 . 10.471 7.137 10.305 1.00 90.72 30 A 1 ATOM 227 C C . ASN A 0 30 . 9.786 8.071 9.279 1.00 90.72 30 A 1 ATOM 228 C CB . ASN A 0 30 . 10.357 7.654 11.753 1.00 90.72 30 A 1 ATOM 229 O O . ASN A 0 30 . 8.769 8.691 9.578 1.00 90.72 30 A 1 ATOM 230 C CG . ASN A 0 30 . 10.655 6.602 12.803 1.00 90.72 30 A 1 ATOM 231 N ND2 . ASN A 0 30 . 11.166 7.010 13.940 1.00 90.72 30 A 1 ATOM 232 O OD1 . ASN A 0 30 . 10.405 5.420 12.641 1.00 90.72 30 A 1 ATOM 233 N N . LYS A 0 31 . 10.322 8.167 8.058 1.00 91.82 31 A 1 ATOM 234 C CA . LYS A 0 31 . 9.750 8.910 6.929 1.00 91.82 31 A 1 ATOM 235 C C . LYS A 0 31 . 9.434 7.908 5.829 1.00 91.82 31 A 1 ATOM 236 C CB . LYS A 0 31 . 10.725 9.995 6.441 1.00 91.82 31 A 1 ATOM 237 O O . LYS A 0 31 . 10.316 7.140 5.456 1.00 91.82 31 A 1 ATOM 238 C CG . LYS A 0 31 . 10.892 11.136 7.458 1.00 91.82 31 A 1 ATOM 239 C CD . LYS A 0 31 . 11.849 12.216 6.930 1.00 91.82 31 A 1 ATOM 240 C CE . LYS A 0 31 . 12.007 13.330 7.975 1.00 91.82 31 A 1 ATOM 241 N NZ . LYS A 0 31 . 12.888 14.430 7.499 1.00 91.82 31 A 1 ATOM 242 N N . GLY A 0 32 . 8.185 7.897 5.374 1.00 90.65 32 A 1 ATOM 243 C CA . GLY A 0 32 . 7.693 6.948 4.380 1.00 90.65 32 A 1 ATOM 244 C C . GLY A 0 32 . 7.757 7.521 2.974 1.00 90.65 32 A 1 ATOM 245 O O . GLY A 0 32 . 7.307 8.640 2.730 1.00 90.65 32 A 1 ATOM 246 N N . THR A 0 33 . 8.309 6.733 2.064 1.00 91.79 33 A 1 ATOM 247 C CA . THR A 0 33 . 8.316 6.949 0.618 1.00 91.79 33 A 1 ATOM 248 C C . THR A 0 33 . 7.530 5.839 -0.079 1.00 91.79 33 A 1 ATOM 249 C CB . THR A 0 33 . 9.753 7.056 0.083 1.00 91.79 33 A 1 ATOM 250 O O . THR A 0 33 . 7.080 4.883 0.555 1.00 91.79 33 A 1 ATOM 251 C CG2 . THR A 0 33 . 10.450 8.314 0.605 1.00 91.79 33 A 1 ATOM 252 O OG1 . THR A 0 33 . 10.566 5.957 0.424 1.00 91.79 33 A 1 ATOM 253 N N . ILE A 0 34 . 7.303 5.981 -1.384 1.00 92.50 34 A 1 ATOM 254 C CA . ILE A 0 34 . 6.623 4.953 -2.179 1.00 92.50 34 A 1 ATOM 255 C C . ILE A 0 34 . 7.408 3.639 -2.071 1.00 92.50 34 A 1 ATOM 256 C CB . ILE A 0 34 . 6.466 5.415 -3.641 1.00 92.50 34 A 1 ATOM 257 O O . ILE A 0 34 . 8.623 3.626 -2.247 1.00 92.50 34 A 1 ATOM 258 C CG1 . ILE A 0 34 . 5.650 6.728 -3.704 1.00 92.50 34 A 1 ATOM 259 C CG2 . ILE A 0 34 . 5.793 4.317 -4.478 1.00 92.50 34 A 1 ATOM 260 C CD1 . ILE A 0 34 . 5.547 7.332 -5.106 1.00 92.50 34 A 1 ATOM 261 N N . GLY A 0 35 . 6.706 2.545 -1.774 1.00 91.27 35 A 1 ATOM 262 C CA . GLY A 0 35 . 7.304 1.231 -1.539 1.00 91.27 35 A 1 ATOM 263 C C . GLY A 0 35 . 7.676 0.942 -0.083 1.00 91.27 35 A 1 ATOM 264 O O . GLY A 0 35 . 8.105 -0.169 0.203 1.00 91.27 35 A 1 ATOM 265 N N . ASP A 0 36 . 7.477 1.868 0.858 1.00 92.64 36 A 1 ATOM 266 C CA . ASP A 0 36 . 7.648 1.565 2.282 1.00 92.64 36 A 1 ATOM 267 C C . ASP A 0 36 . 6.381 0.938 2.891 1.00 92.64 36 A 1 ATOM 268 C CB . ASP A 0 36 . 8.086 2.808 3.071 1.00 92.64 36 A 1 ATOM 269 O O . ASP A 0 36 . 5.243 1.297 2.558 1.00 92.64 36 A 1 ATOM 270 C CG . ASP A 0 36 . 9.531 3.245 2.798 1.00 92.64 36 A 1 ATOM 271 O OD1 . ASP A 0 36 . 10.429 2.381 2.841 1.00 92.64 36 A 1 ATOM 272 O OD2 . ASP A 0 36 . 9.763 4.474 2.699 1.00 92.64 36 A 1 ATOM 273 N N . LYS A 0 37 . 6.582 0.029 3.855 1.00 93.57 37 A 1 ATOM 274 C CA . LYS A 0 37 . 5.511 -0.484 4.719 1.00 93.57 37 A 1 ATOM 275 C C . LYS A 0 37 . 5.180 0.551 5.801 1.00 93.57 37 A 1 ATOM 276 C CB . LYS A 0 37 . 5.878 -1.857 5.320 1.00 93.57 37 A 1 ATOM 277 O O . LYS A 0 37 . 6.073 1.121 6.437 1.00 93.57 37 A 1 ATOM 278 C CG . LYS A 0 37 . 5.948 -3.013 4.307 1.00 93.57 37 A 1 ATOM 279 C CD . LYS A 0 37 . 6.353 -4.342 4.987 1.00 93.57 37 A 1 ATOM 280 C CE . LYS A 0 37 . 6.366 -5.490 3.962 1.00 93.57 37 A 1 ATOM 281 N NZ . LYS A 0 37 . 6.666 -6.839 4.520 1.00 93.57 37 A 1 ATOM 282 N N . VAL A 0 38 . 3.895 0.723 6.089 1.00 94.93 38 A 1 ATOM 283 C CA . VAL A 0 38 . 3.367 1.616 7.126 1.00 94.93 38 A 1 ATOM 284 C C . VAL A 0 38 . 2.367 0.912 8.030 1.00 94.93 38 A 1 ATOM 285 C CB . VAL A 0 38 . 2.738 2.890 6.535 1.00 94.93 38 A 1 ATOM 286 O O . VAL A 0 38 . 1.667 -0.014 7.629 1.00 94.93 38 A 1 ATOM 287 C CG1 . VAL A 0 38 . 3.818 3.745 5.880 1.00 94.93 38 A 1 ATOM 288 C CG2 . VAL A 0 38 . 1.618 2.632 5.518 1.00 94.93 38 A 1 ATOM 289 N N . LEU A 0 39 . 2.299 1.380 9.268 1.00 95.44 39 A 1 ATOM 290 C CA . LEU A 0 39 . 1.305 1.018 10.260 1.00 95.44 39 A 1 ATOM 291 C C . LEU A 0 39 . 0.362 2.204 10.434 1.00 95.44 39 A 1 ATOM 292 C CB . LEU A 0 39 . 2.041 0.663 11.555 1.00 95.44 39 A 1 ATOM 293 O O . LEU A 0 39 . 0.799 3.306 10.782 1.00 95.44 39 A 1 ATOM 294 C CG . LEU A 0 39 . 1.143 0.110 12.669 1.00 95.44 39 A 1 ATOM 295 C CD1 . LEU A 0 39 . 0.565 -1.262 12.322 1.00 95.44 39 A 1 ATOM 296 C CD2 . LEU A 0 39 . 2.011 -0.011 13.921 1.00 95.44 39 A 1 ATOM 297 N N . VAL A 0 40 . -0.921 1.978 10.188 1.00 94.26 40 A 1 ATOM 298 C CA . VAL A 0 40 . -1.958 3.009 10.197 1.00 94.26 40 A 1 ATOM 299 C C . VAL A 0 40 . -3.088 2.629 11.148 1.00 94.26 40 A 1 ATOM 300 C CB . VAL A 0 40 . -2.478 3.305 8.775 1.00 94.26 40 A 1 ATOM 301 O O . VAL A 0 40 . -3.441 1.460 11.276 1.00 94.26 40 A 1 ATOM 302 C CG1 . VAL A 0 40 . -1.372 3.921 7.908 1.00 94.26 40 A 1 ATOM 303 C CG2 . VAL A 0 40 . -3.017 2.069 8.044 1.00 94.26 40 A 1 ATOM 304 N N . ALA A 0 41 . -3.655 3.625 11.821 1.00 92.32 41 A 1 ATOM 305 C CA . ALA A 0 41 . -4.896 3.493 12.570 1.00 92.32 41 A 1 ATOM 306 C C . ALA A 0 41 . -6.060 3.858 11.645 1.00 92.32 41 A 1 ATOM 307 C CB . ALA A 0 41 . -4.860 4.410 13.800 1.00 92.32 41 A 1 ATOM 308 O O . ALA A 0 41 . -6.179 5.020 11.248 1.00 92.32 41 A 1 ATOM 309 N N . VAL A 0 42 . -6.917 2.891 11.321 1.00 88.82 42 A 1 ATOM 310 C CA . VAL A 0 42 . -8.150 3.096 10.547 1.00 88.82 42 A 1 ATOM 311 C C . VAL A 0 42 . -9.324 2.761 11.458 1.00 88.82 42 A 1 ATOM 312 C CB . VAL A 0 42 . -8.168 2.241 9.264 1.00 88.82 42 A 1 ATOM 313 O O . VAL A 0 42 . -9.422 1.639 11.945 1.00 88.82 42 A 1 ATOM 314 C CG1 . VAL A 0 42 . -9.429 2.528 8.439 1.00 88.82 42 A 1 ATOM 315 C CG2 . VAL A 0 42 . -6.948 2.531 8.377 1.00 88.82 42 A 1 ATOM 316 N N . ASN A 0 43 . -10.190 3.737 11.739 1.00 85.25 43 A 1 ATOM 317 C CA . ASN A 0 43 . -11.345 3.581 12.638 1.00 85.25 43 A 1 ATOM 318 C C . ASN A 0 43 . -11.007 2.984 14.022 1.00 85.25 43 A 1 ATOM 319 C CB . ASN A 0 43 . -12.478 2.845 11.897 1.00 85.25 43 A 1 ATOM 320 O O . ASN A 0 43 . -11.798 2.254 14.609 1.00 85.25 43 A 1 ATOM 321 C CG . ASN A 0 43 . -13.023 3.635 10.725 1.00 85.25 43 A 1 ATOM 322 N ND2 . ASN A 0 43 . -13.838 3.022 9.902 1.00 85.25 43 A 1 ATOM 323 O OD1 . ASN A 0 43 . -12.734 4.804 10.534 1.00 85.25 43 A 1 ATOM 324 N N . GLY A 0 44 . -9.824 3.303 14.555 1.00 82.59 44 A 1 ATOM 325 C CA . GLY A 0 44 . -9.351 2.793 15.849 1.00 82.59 44 A 1 ATOM 326 C C . GLY A 0 44 . -8.683 1.418 15.790 1.00 82.59 44 A 1 ATOM 327 O O . GLY A 0 44 . -8.099 0.999 16.784 1.00 82.59 44 A 1 ATOM 328 N N . GLU A 0 45 . -8.689 0.747 14.639 1.00 88.18 45 A 1 ATOM 329 C CA . GLU A 0 45 . -7.976 -0.512 14.440 1.00 88.18 45 A 1 ATOM 330 C C . GLU A 0 45 . -6.612 -0.277 13.791 1.00 88.18 45 A 1 ATOM 331 C CB . GLU A 0 45 . -8.801 -1.489 13.600 1.00 88.18 45 A 1 ATOM 332 O O . GLU A 0 45 . -6.466 0.505 12.849 1.00 88.18 45 A 1 ATOM 333 C CG . GLU A 0 45 . -10.098 -1.913 14.306 1.00 88.18 45 A 1 ATOM 334 C CD . GLU A 0 45 . -10.873 -2.986 13.527 1.00 88.18 45 A 1 ATOM 335 O OE1 . GLU A 0 45 . -11.991 -3.316 13.979 1.00 88.18 45 A 1 ATOM 336 O OE2 . GLU A 0 45 . -10.345 -3.490 12.497 1.00 88.18 45 A 1 ATOM 337 N N . MET A 0 46 . -5.600 -0.991 14.280 1.00 92.08 46 A 1 ATOM 338 C CA . MET A 0 46 . -4.269 -0.982 13.682 1.00 92.08 46 A 1 ATOM 339 C C . MET A 0 46 . -4.253 -1.894 12.456 1.00 92.08 46 A 1 ATOM 340 C CB . MET A 0 46 . -3.220 -1.418 14.710 1.00 92.08 46 A 1 ATOM 341 O O . MET A 0 46 . -4.540 -3.086 12.556 1.00 92.08 46 A 1 ATOM 342 C CG . MET A 0 46 . -3.123 -0.424 15.872 1.00 92.08 46 A 1 ATOM 343 S SD . MET A 0 46 . -1.980 -0.905 17.191 1.00 92.08 46 A 1 ATOM 344 C CE . MET A 0 46 . -0.406 -0.835 16.316 1.00 92.08 46 A 1 ATOM 345 N N . LYS A 0 47 . -3.888 -1.339 11.301 1.00 93.20 47 A 1 ATOM 346 C CA . LYS A 0 47 . -3.726 -2.063 10.037 1.00 93.20 47 A 1 ATOM 347 C C . LYS A 0 47 . -2.352 -1.769 9.450 1.00 93.20 47 A 1 ATOM 348 C CB . LYS A 0 47 . -4.841 -1.688 9.043 1.00 93.20 47 A 1 ATOM 349 O O . LYS A 0 47 . -1.787 -0.692 9.656 1.00 93.20 47 A 1 ATOM 350 C CG . LYS A 0 47 . -6.279 -1.916 9.542 1.00 93.20 47 A 1 ATOM 351 C CD . LYS A 0 47 . -6.656 -3.384 9.817 1.00 93.20 47 A 1 ATOM 352 C CE . LYS A 0 47 . -8.125 -3.397 10.262 1.00 93.20 47 A 1 ATOM 353 N NZ . LYS A 0 47 . -8.601 -4.702 10.778 1.00 93.20 47 A 1 ATOM 354 N N . ARG A 0 48 . -1.807 -2.729 8.711 1.00 94.86 48 A 1 ATOM 355 C CA . ARG A 0 48 . -0.583 -2.532 7.932 1.00 94.86 48 A 1 ATOM 356 C C . ARG A 0 48 . -0.959 -2.073 6.531 1.00 94.86 48 A 1 ATOM 357 C CB . ARG A 0 48 . 0.258 -3.815 7.934 1.00 94.86 48 A 1 ATOM 358 O O . ARG A 0 48 . -2.070 -2.307 6.063 1.00 94.86 48 A 1 ATOM 359 C CG . ARG A 0 48 . 0.788 -4.128 9.341 1.00 94.86 48 A 1 ATOM 360 C CD . ARG A 0 48 . 1.575 -5.439 9.324 1.00 94.86 48 A 1 ATOM 361 N NE . ARG A 0 48 . 2.040 -5.801 10.674 1.00 94.86 48 A 1 ATOM 362 N NH1 . ARG A 0 48 . 2.946 -7.844 10.120 1.00 94.86 48 A 1 ATOM 363 N NH2 . ARG A 0 48 . 2.900 -7.195 12.255 1.00 94.86 48 A 1 ATOM 364 C CZ . ARG A 0 48 . 2.622 -6.941 11.006 1.00 94.86 48 A 1 ATOM 365 N N . GLY A 0 49 . -0.040 -1.401 5.863 1.00 94.21 49 A 1 ATOM 366 C CA . GLY A 0 49 . -0.238 -0.983 4.490 1.00 94.21 49 A 1 ATOM 367 C C . GLY A 0 49 . 1.069 -0.715 3.772 1.00 94.21 49 A 1 ATOM 368 O O . GLY A 0 49 . 2.120 -0.574 4.393 1.00 94.21 49 A 1 ATOM 369 N N . TRP A 0 50 . 0.986 -0.633 2.455 1.00 94.22 50 A 1 ATOM 370 C CA . TRP A 0 50 . 2.079 -0.213 1.589 1.00 94.22 50 A 1 ATOM 371 C C . TRP A 0 50 . 1.771 1.155 1.008 1.00 94.22 50 A 1 ATOM 372 C CB . TRP A 0 50 . 2.268 -1.240 0.479 1.00 94.22 50 A 1 ATOM 373 O O . TRP A 0 50 . 0.653 1.382 0.540 1.00 94.22 50 A 1 ATOM 374 C CG . TRP A 0 50 . 2.893 -2.517 0.929 1.00 94.22 50 A 1 ATOM 375 C CD1 . TRP A 0 50 . 2.246 -3.578 1.459 1.00 94.22 50 A 1 ATOM 376 C CD2 . TRP A 0 50 . 4.295 -2.898 0.854 1.00 94.22 50 A 1 ATOM 377 C CE2 . TRP A 0 50 . 4.402 -4.270 1.225 1.00 94.22 50 A 1 ATOM 378 C CE3 . TRP A 0 50 . 5.481 -2.240 0.465 1.00 94.22 50 A 1 ATOM 379 N NE1 . TRP A 0 50 . 3.129 -4.628 1.617 1.00 94.22 50 A 1 ATOM 380 C CH2 . TRP A 0 50 . 6.769 -4.300 0.736 1.00 94.22 50 A 1 ATOM 381 C CZ2 . TRP A 0 50 . 5.606 -4.978 1.127 1.00 94.22 50 A 1 ATOM 382 C CZ3 . TRP A 0 50 . 6.703 -2.937 0.418 1.00 94.22 50 A 1 ATOM 383 N N . ILE A 0 51 . 2.753 2.055 1.010 1.00 94.20 51 A 1 ATOM 384 C CA . ILE A 0 51 . 2.630 3.335 0.309 1.00 94.20 51 A 1 ATOM 385 C C . ILE A 0 51 . 2.762 3.068 -1.189 1.00 94.20 51 A 1 ATOM 386 C CB . ILE A 0 51 . 3.669 4.360 0.805 1.00 94.20 51 A 1 ATOM 387 O O . ILE A 0 51 . 3.833 2.691 -1.664 1.00 94.20 51 A 1 ATOM 388 C CG1 . ILE A 0 51 . 3.534 4.603 2.326 1.00 94.20 51 A 1 ATOM 389 C CG2 . ILE A 0 51 . 3.491 5.687 0.035 1.00 94.20 51 A 1 ATOM 390 C CD1 . ILE A 0 51 . 4.635 5.506 2.900 1.00 94.20 51 A 1 ATOM 391 N N . VAL A 0 52 . 1.677 3.282 -1.931 1.00 93.93 52 A 1 ATOM 392 C CA . VAL A 0 52 . 1.648 3.105 -3.393 1.00 93.93 52 A 1 ATOM 393 C C . VAL A 0 52 . 1.701 4.433 -4.134 1.00 93.93 52 A 1 ATOM 394 C CB . VAL A 0 52 . 0.445 2.263 -3.850 1.00 93.93 52 A 1 ATOM 395 O O . VAL A 0 52 . 2.224 4.484 -5.238 1.00 93.93 52 A 1 ATOM 396 C CG1 . VAL A 0 52 . 0.548 0.842 -3.284 1.00 93.93 52 A 1 ATOM 397 C CG2 . VAL A 0 52 . -0.911 2.865 -3.457 1.00 93.93 52 A 1 ATOM 398 N N . GLY A 0 53 . 1.233 5.519 -3.517 1.00 93.72 53 A 1 ATOM 399 C CA . GLY A 0 53 . 1.305 6.854 -4.097 1.00 93.72 53 A 1 ATOM 400 C C . GLY A 0 53 . 1.664 7.891 -3.049 1.00 93.72 53 A 1 ATOM 401 O O . GLY A 0 53 . 1.183 7.831 -1.918 1.00 93.72 53 A 1 ATOM 402 N N . ALA A 0 54 . 2.516 8.840 -3.418 1.00 93.74 54 A 1 ATOM 403 C CA . ALA A 0 54 . 2.876 9.961 -2.568 1.00 93.74 54 A 1 ATOM 404 C C . ALA A 0 54 . 2.998 11.240 -3.400 1.00 93.74 54 A 1 ATOM 405 C CB . ALA A 0 54 . 4.173 9.637 -1.815 1.00 93.74 54 A 1 ATOM 406 O O . ALA A 0 54 . 3.532 11.223 -4.513 1.00 93.74 54 A 1 ATOM 407 N N . ARG A 0 55 . 2.564 12.363 -2.820 1.00 94.21 55 A 1 ATOM 408 C CA . ARG A 0 55 . 2.762 13.711 -3.363 1.00 94.21 55 A 1 ATOM 409 C C . ARG A 0 55 . 4.182 14.195 -3.069 1.00 94.21 55 A 1 ATOM 410 C CB . ARG A 0 55 . 1.648 14.645 -2.862 1.00 94.21 55 A 1 ATOM 411 O O . ARG A 0 55 . 4.397 15.166 -2.347 1.00 94.21 55 A 1 ATOM 412 C CG . ARG A 0 55 . 1.634 15.970 -3.645 1.00 94.21 55 A 1 ATOM 413 C CD . ARG A 0 55 . 0.644 16.979 -3.053 1.00 94.21 55 A 1 ATOM 414 N NE . ARG A 0 55 . -0.752 16.636 -3.370 1.00 94.21 55 A 1 ATOM 415 N NH1 . ARG A 0 55 . -1.811 18.267 -2.149 1.00 94.21 55 A 1 ATOM 416 N NH2 . ARG A 0 55 . -3.000 16.892 -3.442 1.00 94.21 55 A 1 ATOM 417 C CZ . ARG A 0 55 . -1.844 17.266 -2.985 1.00 94.21 55 A 1 ATOM 418 N N . LEU A 0 56 . 5.155 13.474 -3.613 1.00 91.70 56 A 1 ATOM 419 C CA . LEU A 0 56 . 6.577 13.793 -3.542 1.00 91.70 56 A 1 ATOM 420 C C . LEU A 0 56 . 7.105 14.098 -4.950 1.00 91.70 56 A 1 ATOM 421 C CB . LEU A 0 56 . 7.337 12.630 -2.878 1.00 91.70 56 A 1 ATOM 422 O O . LEU A 0 56 . 6.557 13.584 -5.927 1.00 91.70 56 A 1 ATOM 423 C CG . LEU A 0 56 . 6.985 12.408 -1.394 1.00 91.70 56 A 1 ATOM 424 C CD1 . LEU A 0 56 . 7.691 11.154 -0.879 1.00 91.70 56 A 1 ATOM 425 C CD2 . LEU A 0 56 . 7.402 13.589 -0.514 1.00 91.70 56 A 1 ATOM 426 N N . PRO A 0 57 . 8.150 14.933 -5.085 1.00 92.00 57 A 1 ATOM 427 C CA . PRO A 0 57 . 8.847 15.098 -6.355 1.00 92.00 57 A 1 ATOM 428 C C . PRO A 0 57 . 9.300 13.743 -6.908 1.00 92.00 57 A 1 ATOM 429 C CB . PRO A 0 57 . 10.036 16.020 -6.065 1.00 92.00 57 A 1 ATOM 430 O O . PRO A 0 57 . 9.695 12.862 -6.142 1.00 92.00 57 A 1 ATOM 431 C CG . PRO A 0 57 . 9.601 16.781 -4.812 1.00 92.00 57 A 1 ATOM 432 C CD . PRO A 0 57 . 8.774 15.747 -4.053 1.00 92.00 57 A 1 ATOM 433 N N . SER A 0 58 . 9.252 13.587 -8.232 1.00 88.65 58 A 1 ATOM 434 C CA . SER A 0 58 . 9.773 12.387 -8.887 1.00 88.65 58 A 1 ATOM 435 C C . SER A 0 58 . 11.279 12.320 -8.659 1.00 88.65 58 A 1 ATOM 436 C CB . SER A 0 58 . 9.444 12.391 -10.382 1.00 88.65 58 A 1 ATOM 437 O O . SER A 0 58 . 12.020 13.208 -9.079 1.00 88.65 58 A 1 ATOM 438 O OG . SER A 0 58 . 10.026 11.278 -11.031 1.00 88.65 58 A 1 ATOM 439 N N . VAL A 0 59 . 11.726 11.288 -7.946 1.00 88.05 59 A 1 ATOM 440 C CA . VAL A 0 59 . 13.139 11.069 -7.626 1.00 88.05 59 A 1 ATOM 441 C C . VAL A 0 59 . 13.521 9.666 -8.058 1.00 88.05 59 A 1 ATOM 442 C CB . VAL A 0 59 . 13.454 11.338 -6.140 1.00 88.05 59 A 1 ATOM 443 O O . VAL A 0 59 . 12.795 8.696 -7.838 1.00 88.05 59 A 1 ATOM 444 C CG1 . VAL A 0 59 . 14.911 11.008 -5.790 1.00 88.05 59 A 1 ATOM 445 C CG2 . VAL A 0 59 . 13.241 12.815 -5.790 1.00 88.05 59 A 1 ATOM 446 N N . ASN A 0 60 . 14.682 9.567 -8.698 1.00 88.69 60 A 1 ATOM 447 C CA . ASN A 0 60 . 15.290 8.338 -9.189 1.00 88.69 60 A 1 ATOM 448 C C . ASN A 0 60 . 14.449 7.560 -10.204 1.00 88.69 60 A 1 ATOM 449 C CB . ASN A 0 60 . 15.758 7.468 -7.996 1.00 88.69 60 A 1 ATOM 450 O O . ASN A 0 60 . 14.865 6.457 -10.516 1.00 88.69 60 A 1 ATOM 451 C CG . ASN A 0 60 . 16.796 8.158 -7.133 1.00 88.69 60 A 1 ATOM 452 N ND2 . ASN A 0 60 . 17.204 7.546 -6.048 1.00 88.69 60 A 1 ATOM 453 O OD1 . ASN A 0 60 . 17.255 9.248 -7.409 1.00 88.69 60 A 1 ATOM 454 N N . GLY A 0 61 . 13.307 8.059 -10.695 1.00 88.18 61 A 1 ATOM 455 C CA . GLY A 0 61 . 12.353 7.335 -11.553 1.00 88.18 61 A 1 ATOM 456 C C . GLY A 0 61 . 11.115 6.783 -10.827 1.00 88.18 61 A 1 ATOM 457 O O . GLY A 0 61 . 10.419 5.931 -11.369 1.00 88.18 61 A 1 ATOM 458 N N . TRP A 0 62 . 10.849 7.222 -9.593 1.00 91.40 62 A 1 ATOM 459 C CA . TRP A 0 62 . 9.551 7.020 -8.943 1.00 91.40 62 A 1 ATOM 460 C C . TRP A 0 62 . 8.544 8.073 -9.423 1.00 91.40 62 A 1 ATOM 461 C CB . TRP A 0 62 . 9.703 7.114 -7.423 1.00 91.40 62 A 1 ATOM 462 O O . TRP A 0 62 . 8.861 9.258 -9.335 1.00 91.40 62 A 1 ATOM 463 C CG . TRP A 0 62 . 10.392 5.944 -6.808 1.00 91.40 62 A 1 ATOM 464 C CD1 . TRP A 0 62 . 11.674 5.905 -6.381 1.00 91.40 62 A 1 ATOM 465 C CD2 . TRP A 0 62 . 9.828 4.630 -6.534 1.00 91.40 62 A 1 ATOM 466 C CE2 . TRP A 0 62 . 10.846 3.830 -5.937 1.00 91.40 62 A 1 ATOM 467 C CE3 . TRP A 0 62 . 8.568 4.032 -6.747 1.00 91.40 62 A 1 ATOM 468 N NE1 . TRP A 0 62 . 11.947 4.653 -5.866 1.00 91.40 62 A 1 ATOM 469 C CH2 . TRP A 0 62 . 9.381 1.921 -5.825 1.00 91.40 62 A 1 ATOM 470 C CZ2 . TRP A 0 62 . 10.635 2.495 -5.582 1.00 91.40 62 A 1 ATOM 471 C CZ3 . TRP A 0 62 . 8.348 2.685 -6.401 1.00 91.40 62 A 1 ATOM 472 N N . PRO A 0 63 . 7.340 7.695 -9.884 1.00 92.12 63 A 1 ATOM 473 C CA . PRO A 0 63 . 6.354 8.665 -10.347 1.00 92.12 63 A 1 ATOM 474 C C . PRO A 0 63 . 5.805 9.515 -9.194 1.00 92.12 63 A 1 ATOM 475 C CB . PRO A 0 63 . 5.270 7.852 -11.060 1.00 92.12 63 A 1 ATOM 476 O O . PRO A 0 63 . 5.644 9.047 -8.064 1.00 92.12 63 A 1 ATOM 477 C CG . PRO A 0 63 . 5.356 6.479 -10.399 1.00 92.12 63 A 1 ATOM 478 C CD . PRO A 0 63 . 6.833 6.338 -10.035 1.00 92.12 63 A 1 ATOM 479 N N . ARG A 0 64 . 5.489 10.778 -9.500 1.00 92.83 64 A 1 ATOM 480 C CA . ARG A 0 64 . 4.771 11.685 -8.596 1.00 92.83 64 A 1 ATOM 481 C C . ARG A 0 64 . 3.273 11.420 -8.711 1.00 92.83 64 A 1 ATOM 482 C CB . ARG A 0 64 . 5.121 13.143 -8.934 1.00 92.83 64 A 1 ATOM 483 O O . ARG A 0 64 . 2.743 11.423 -9.816 1.00 92.83 64 A 1 ATOM 484 C CG . ARG A 0 64 . 4.271 14.167 -8.159 1.00 92.83 64 A 1 ATOM 485 C CD . ARG A 0 64 . 4.734 15.593 -8.486 1.00 92.83 64 A 1 ATOM 486 N NE . ARG A 0 64 . 3.973 16.623 -7.749 1.00 92.83 64 A 1 ATOM 487 N NH1 . ARG A 0 64 . 2.064 16.643 -9.050 1.00 92.83 64 A 1 ATOM 488 N NH2 . ARG A 0 64 . 2.243 18.046 -7.337 1.00 92.83 64 A 1 ATOM 489 C CZ . ARG A 0 64 . 2.771 17.093 -8.052 1.00 92.83 64 A 1 ATOM 490 N N . PHE A 0 65 . 2.596 11.286 -7.575 1.00 94.13 65 A 1 ATOM 491 C CA . PHE A 0 65 . 1.138 11.182 -7.517 1.00 94.13 65 A 1 ATOM 492 C C . PHE A 0 65 . 0.516 12.471 -6.980 1.00 94.13 65 A 1 ATOM 493 C CB . PHE A 0 65 . 0.734 9.968 -6.674 1.00 94.13 65 A 1 ATOM 494 O O . PHE A 0 65 . 1.142 13.216 -6.222 1.00 94.13 65 A 1 ATOM 495 C CG . PHE A 0 65 . 1.116 8.645 -7.305 1.00 94.13 65 A 1 ATOM 496 C CD1 . PHE A 0 65 . 0.199 7.960 -8.125 1.00 94.13 65 A 1 ATOM 497 C CD2 . PHE A 0 65 . 2.402 8.112 -7.104 1.00 94.13 65 A 1 ATOM 498 C CE1 . PHE A 0 65 . 0.567 6.743 -8.726 1.00 94.13 65 A 1 ATOM 499 C CE2 . PHE A 0 65 . 2.754 6.886 -7.689 1.00 94.13 65 A 1 ATOM 500 C CZ . PHE A 0 65 . 1.841 6.203 -8.506 1.00 94.13 65 A 1 ATOM 501 N N . ASP A 0 66 . -0.743 12.720 -7.336 1.00 91.89 66 A 1 ATOM 502 C CA . ASP A 0 66 . -1.482 13.869 -6.812 1.00 91.89 66 A 1 ATOM 503 C C . ASP A 0 66 . -2.001 13.632 -5.395 1.00 91.89 66 A 1 ATOM 504 C CB . ASP A 0 66 . -2.632 14.228 -7.753 1.00 91.89 66 A 1 ATOM 505 O O . ASP A 0 66 . -2.128 14.584 -4.625 1.00 91.89 66 A 1 ATOM 506 C CG . ASP A 0 66 . -2.107 14.734 -9.096 1.00 91.89 66 A 1 ATOM 507 O OD1 . ASP A 0 66 . -1.087 15.474 -9.080 1.00 91.89 66 A 1 ATOM 508 O OD2 . ASP A 0 66 . -2.725 14.351 -10.106 1.00 91.89 66 A 1 ATOM 509 N N . SER A 0 67 . -2.258 12.382 -5.015 1.00 92.37 67 A 1 ATOM 510 C CA . SER A 0 67 . -2.723 12.000 -3.682 1.00 92.37 67 A 1 ATOM 511 C C . SER A 0 67 . -1.783 11.004 -3.003 1.00 92.37 67 A 1 ATOM 512 C CB . SER A 0 67 . -4.165 11.481 -3.734 1.00 92.37 67 A 1 ATOM 513 O O . SER A 0 67 . -1.085 10.218 -3.646 1.00 92.37 67 A 1 ATOM 514 O OG . SER A 0 67 . -4.301 10.401 -4.634 1.00 92.37 67 A 1 ATOM 515 N N . ASN A 0 68 . -1.768 11.054 -1.669 1.00 91.33 68 A 1 ATOM 516 C CA . ASN A 0 68 . -1.086 10.061 -0.848 1.00 91.33 68 A 1 ATOM 517 C C . ASN A 0 68 . -2.001 8.844 -0.708 1.00 91.33 68 A 1 ATOM 518 C CB . ASN A 0 68 . -0.732 10.660 0.521 1.00 91.33 68 A 1 ATOM 519 O O . ASN A 0 68 . -3.057 8.941 -0.085 1.00 91.33 68 A 1 ATOM 520 C CG . ASN A 0 68 . 0.273 11.792 0.449 1.00 91.33 68 A 1 ATOM 521 N ND2 . ASN A 0 68 . 0.260 12.680 1.415 1.00 91.33 68 A 1 ATOM 522 O OD1 . ASN A 0 68 . 1.085 11.907 -0.450 1.00 91.33 68 A 1 ATOM 523 N N . ASN A 0 69 . -1.585 7.714 -1.271 1.00 93.33 69 A 1 ATOM 524 C CA . ASN A 0 69 . -2.384 6.499 -1.343 1.00 93.33 69 A 1 ATOM 525 C C . ASN A 0 69 . -1.637 5.333 -0.699 1.00 93.33 69 A 1 ATOM 526 C CB . ASN A 0 69 . -2.744 6.200 -2.806 1.00 93.33 69 A 1 ATOM 527 O O . ASN A 0 69 . -0.437 5.139 -0.923 1.00 93.33 69 A 1 ATOM 528 C CG . ASN A 0 69 . -3.522 7.326 -3.459 1.00 93.33 69 A 1 ATOM 529 N ND2 . ASN A 0 69 . -3.123 7.738 -4.637 1.00 93.33 69 A 1 ATOM 530 O OD1 . ASN A 0 69 . -4.476 7.857 -2.917 1.00 93.33 69 A 1 ATOM 531 N N . ILE A 0 70 . -2.376 4.528 0.061 1.00 93.83 70 A 1 ATOM 532 C CA . ILE A 0 70 . -1.877 3.300 0.675 1.00 93.83 70 A 1 ATOM 533 C C . ILE A 0 70 . -2.781 2.125 0.310 1.00 93.83 70 A 1 ATOM 534 C CB . ILE A 0 70 . -1.692 3.439 2.205 1.00 93.83 70 A 1 ATOM 535 O O . ILE A 0 70 . -3.997 2.280 0.212 1.00 93.83 70 A 1 ATOM 536 C CG1 . ILE A 0 70 . -3.040 3.622 2.942 1.00 93.83 70 A 1 ATOM 537 C CG2 . ILE A 0 70 . -0.709 4.581 2.528 1.00 93.83 70 A 1 ATOM 538 C CD1 . ILE A 0 70 . -2.912 3.691 4.464 1.00 93.83 70 A 1 ATOM 539 N N . VAL A 0 71 . -2.192 0.943 0.155 1.00 94.36 71 A 1 ATOM 540 C CA . VAL A 0 71 . -2.935 -0.319 0.061 1.00 94.36 71 A 1 ATOM 541 C C . VAL A 0 71 . -2.833 -1.021 1.401 1.00 94.36 71 A 1 ATOM 542 C CB . VAL A 0 71 . -2.421 -1.203 -1.086 1.00 94.36 71 A 1 ATOM 543 O O . VAL A 0 71 . -1.729 -1.298 1.865 1.00 94.36 71 A 1 ATOM 544 C CG1 . VAL A 0 71 . -3.116 -2.571 -1.098 1.00 94.36 71 A 1 ATOM 545 C CG2 . VAL A 0 71 . -2.705 -0.525 -2.430 1.00 94.36 71 A 1 ATOM 546 N N . LEU A 0 72 . -3.975 -1.284 2.035 1.00 94.56 72 A 1 ATOM 547 C CA . LEU A 0 72 . -4.017 -1.983 3.315 1.00 94.56 72 A 1 ATOM 548 C C . LEU A 0 72 . -3.774 -3.479 3.121 1.00 94.56 72 A 1 ATOM 549 C CB . LEU A 0 72 . -5.347 -1.742 4.039 1.00 94.56 72 A 1 ATOM 550 O O . LEU A 0 72 . -4.352 -4.100 2.227 1.00 94.56 72 A 1 ATOM 551 C CG . LEU A 0 72 . -5.688 -0.275 4.341 1.00 94.56 72 A 1 ATOM 552 C CD1 . LEU A 0 72 . -7.055 -0.207 5.021 1.00 94.56 72 A 1 ATOM 553 C CD2 . LEU A 0 72 . -4.658 0.374 5.267 1.00 94.56 72 A 1 ATOM 554 N N . VAL A 0 73 . -2.956 -4.047 3.999 1.00 94.23 73 A 1 ATOM 555 C CA . VAL A 0 73 . -2.597 -5.464 4.016 1.00 94.23 73 A 1 ATOM 556 C C . VAL A 0 73 . -2.771 -6.056 5.409 1.00 94.23 73 A 1 ATOM 557 C CB . VAL A 0 73 . -1.174 -5.722 3.481 1.00 94.23 73 A 1 ATOM 558 O O . VAL A 0 73 . -2.725 -5.346 6.422 1.00 94.23 73 A 1 ATOM 559 C CG1 . VAL A 0 73 . -1.045 -5.319 2.009 1.00 94.23 73 A 1 ATOM 560 C CG2 . VAL A 0 73 . -0.076 -4.997 4.272 1.00 94.23 73 A 1 ATOM 561 N N . ASP A 0 74 . -2.973 -7.367 5.450 1.00 92.29 74 A 1 ATOM 562 C CA . ASP A 0 74 . -2.910 -8.155 6.674 1.00 92.29 74 A 1 ATOM 563 C C . ASP A 0 74 . -1.451 -8.364 7.142 1.00 92.29 74 A 1 ATOM 564 C CB . ASP A 0 74 . -3.708 -9.466 6.491 1.00 92.29 74 A 1 ATOM 565 O O . ASP A 0 74 . -0.494 -7.764 6.635 1.00 92.29 74 A 1 ATOM 566 C CG . ASP A 0 74 . -3.094 -10.463 5.506 1.00 92.29 74 A 1 ATOM 567 O OD1 . ASP A 0 74 . -1.917 -10.274 5.145 1.00 92.29 74 A 1 ATOM 568 O OD2 . ASP A 0 74 . -3.781 -11.427 5.122 1.00 92.29 74 A 1 ATOM 569 N N . ASN A 0 75 . -1.275 -9.194 8.170 1.00 89.66 75 A 1 ATOM 570 C CA . ASN A 0 75 . 0.052 -9.522 8.684 1.00 89.66 75 A 1 ATOM 571 C C . ASN A 0 75 . 0.857 -10.430 7.741 1.00 89.66 75 A 1 ATOM 572 C CB . ASN A 0 75 . -0.094 -10.140 10.079 1.00 89.66 75 A 1 ATOM 573 O O . ASN A 0 75 . 2.085 -10.373 7.795 1.00 89.66 75 A 1 ATOM 574 C CG . ASN A 0 75 . -0.589 -9.143 11.110 1.00 89.66 75 A 1 ATOM 575 N ND2 . ASN A 0 75 . -1.481 -9.557 11.977 1.00 89.66 75 A 1 ATOM 576 O OD1 . ASN A 0 75 . -0.166 -7.996 11.172 1.00 89.66 75 A 1 ATOM 577 N N . ASP A 0 76 . 0.175 -11.177 6.872 1.00 90.35 76 A 1 ATOM 578 C CA . ASP A 0 76 . 0.718 -12.141 5.905 1.00 90.35 76 A 1 ATOM 579 C C . ASP A 0 76 . 0.976 -11.506 4.520 1.00 90.35 76 A 1 ATOM 580 C CB . ASP A 0 76 . -0.257 -13.326 5.807 1.00 90.35 76 A 1 ATOM 581 O O . ASP A 0 76 . 1.322 -12.178 3.537 1.00 90.35 76 A 1 ATOM 582 C CG . ASP A 0 76 . -0.535 -13.973 7.167 1.00 90.35 76 A 1 ATOM 583 O OD1 . ASP A 0 76 . 0.441 -14.175 7.923 1.00 90.35 76 A 1 ATOM 584 O OD2 . ASP A 0 76 . -1.725 -14.215 7.459 1.00 90.35 76 A 1 ATOM 585 N N . GLY A 0 77 . 0.784 -10.188 4.422 1.00 88.30 77 A 1 ATOM 586 C CA . GLY A 0 77 . 0.981 -9.401 3.214 1.00 88.30 77 A 1 ATOM 587 C C . GLY A 0 77 . -0.122 -9.550 2.165 1.00 88.30 77 A 1 ATOM 588 O O . GLY A 0 77 . 0.063 -9.085 1.041 1.00 88.30 77 A 1 ATOM 589 N N . ASN A 0 78 . -1.255 -10.176 2.488 1.00 92.49 78 A 1 ATOM 590 C CA . ASN A 0 78 . -2.407 -10.204 1.596 1.00 92.49 78 A 1 ATOM 591 C C . ASN A 0 78 . -3.163 -8.867 1.673 1.00 92.49 78 A 1 ATOM 592 C CB . ASN A 0 78 . -3.352 -11.377 1.883 1.00 92.49 78 A 1 ATOM 593 O O . ASN A 0 78 . -3.360 -8.321 2.764 1.00 92.49 78 A 1 ATOM 594 C CG . ASN A 0 78 . -2.640 -12.697 2.069 1.00 92.49 78 A 1 ATOM 595 N ND2 . ASN A 0 78 . -2.712 -13.263 3.245 1.00 92.49 78 A 1 ATOM 596 O OD1 . ASN A 0 78 . -1.986 -13.202 1.164 1.00 92.49 78 A 1 ATOM 597 N N . PRO A 0 79 . -3.603 -8.319 0.533 1.00 93.95 79 A 1 ATOM 598 C CA . PRO A 0 79 . -4.428 -7.121 0.516 1.00 93.95 79 A 1 ATOM 599 C C . PRO A 0 79 . -5.775 -7.382 1.196 1.00 93.95 79 A 1 ATOM 600 C CB . PRO A 0 79 . -4.558 -6.733 -0.957 1.00 93.95 79 A 1 ATOM 601 O O . PRO A 0 79 . -6.426 -8.393 0.946 1.00 93.95 79 A 1 ATOM 602 C CG . PRO A 0 79 . -4.322 -8.044 -1.704 1.00 93.95 79 A 1 ATOM 603 C CD . PRO A 0 79 . -3.401 -8.847 -0.804 1.00 93.95 79 A 1 ATOM 604 N N . LEU A 0 80 . -6.212 -6.442 2.039 1.00 92.63 80 A 1 ATOM 605 C CA . LEU A 0 80 . -7.488 -6.557 2.763 1.00 92.63 80 A 1 ATOM 606 C C . LEU A 0 80 . -8.715 -6.405 1.851 1.00 92.63 80 A 1 ATOM 607 C CB . LEU A 0 80 . -7.555 -5.498 3.879 1.00 92.63 80 A 1 ATOM 608 O O . LEU A 0 80 . -9.824 -6.754 2.244 1.00 92.63 80 A 1 ATOM 609 C CG . LEU A 0 80 . -6.526 -5.658 5.009 1.00 92.63 80 A 1 ATOM 610 C CD1 . LEU A 0 80 . -6.751 -4.567 6.058 1.00 92.63 80 A 1 ATOM 611 C CD2 . LEU A 0 80 . -6.636 -7.003 5.725 1.00 92.63 80 A 1 ATOM 612 N N . GLY A 0 81 . -8.530 -5.829 0.663 1.00 89.85 81 A 1 ATOM 613 C CA . GLY A 0 81 . -9.582 -5.609 -0.323 1.00 89.85 81 A 1 ATOM 614 C C . GLY A 0 81 . -9.357 -6.414 -1.599 1.00 89.85 81 A 1 ATOM 615 O O . GLY A 0 81 . -8.251 -6.855 -1.893 1.00 89.85 81 A 1 ATOM 616 N N . THR A 0 82 . -10.419 -6.556 -2.390 1.00 91.59 82 A 1 ATOM 617 C CA . THR A 0 82 . -10.405 -7.341 -3.637 1.00 91.59 82 A 1 ATOM 618 C C . THR A 0 82 . -9.893 -6.558 -4.846 1.00 91.59 82 A 1 ATOM 619 C CB . THR A 0 82 . -11.827 -7.837 -3.946 1.00 91.59 82 A 1 ATOM 620 O O . THR A 0 82 . -9.488 -7.161 -5.833 1.00 91.59 82 A 1 ATOM 621 C CG2 . THR A 0 82 . -11.892 -8.969 -4.968 1.00 91.59 82 A 1 ATOM 622 O OG1 . THR A 0 82 . -12.451 -8.302 -2.773 1.00 91.59 82 A 1 ATOM 623 N N . ARG A 0 83 . -9.961 -5.221 -4.821 1.00 92.63 83 A 1 ATOM 624 C CA . ARG A 0 83 . -9.606 -4.364 -5.964 1.00 92.63 83 A 1 ATOM 625 C C . ARG A 0 83 . -8.850 -3.126 -5.514 1.00 92.63 83 A 1 ATOM 626 C CB . ARG A 0 83 . -10.859 -3.959 -6.761 1.00 92.63 83 A 1 ATOM 627 O O . ARG A 0 83 . -9.195 -2.521 -4.499 1.00 92.63 83 A 1 ATOM 628 C CG . ARG A 0 83 . -11.518 -5.155 -7.463 1.00 92.63 83 A 1 ATOM 629 C CD . ARG A 0 83 . -12.677 -4.699 -8.356 1.00 92.63 83 A 1 ATOM 630 N NE . ARG A 0 83 . -13.265 -5.836 -9.092 1.00 92.63 83 A 1 ATOM 631 N NH1 . ARG A 0 83 . -14.808 -6.516 -7.525 1.00 92.63 83 A 1 ATOM 632 N NH2 . ARG A 0 83 . -14.622 -7.628 -9.447 1.00 92.63 83 A 1 ATOM 633 C CZ . ARG A 0 83 . -14.224 -6.649 -8.685 1.00 92.63 83 A 1 ATOM 634 N N . ILE A 0 84 . -7.860 -2.733 -6.310 1.00 93.32 84 A 1 ATOM 635 C CA . ILE A 0 84 . -7.096 -1.502 -6.117 1.00 93.32 84 A 1 ATOM 636 C C . ILE A 0 84 . -7.551 -0.505 -7.179 1.00 93.32 84 A 1 ATOM 637 C CB . ILE A 0 84 . -5.582 -1.776 -6.177 1.00 93.32 84 A 1 ATOM 638 O O . ILE A 0 84 . -7.380 -0.745 -8.368 1.00 93.32 84 A 1 ATOM 639 C CG1 . ILE A 0 84 . -5.158 -2.805 -5.100 1.00 93.32 84 A 1 ATOM 640 C CG2 . ILE A 0 84 . -4.832 -0.449 -5.972 1.00 93.32 84 A 1 ATOM 641 C CD1 . ILE A 0 84 . -3.799 -3.443 -5.382 1.00 93.32 84 A 1 ATOM 642 N N . LEU A 0 85 . -8.151 0.599 -6.736 1.00 91.89 85 A 1 ATOM 643 C CA . LEU A 0 85 . -8.726 1.619 -7.623 1.00 91.89 85 A 1 ATOM 644 C C . LEU A 0 85 . -7.715 2.692 -8.043 1.00 91.89 85 A 1 ATOM 645 C CB . LEU A 0 85 . -9.925 2.276 -6.917 1.00 91.89 85 A 1 ATOM 646 O O . LEU A 0 85 . -7.952 3.433 -8.991 1.00 91.89 85 A 1 ATOM 647 C CG . LEU A 0 85 . -11.031 1.306 -6.463 1.00 91.89 85 A 1 ATOM 648 C CD1 . LEU A 0 85 . -12.150 2.098 -5.790 1.00 91.89 85 A 1 ATOM 649 C CD2 . LEU A 0 85 . -11.621 0.505 -7.625 1.00 91.89 85 A 1 ATOM 650 N N . VAL A 0 86 . -6.608 2.803 -7.310 1.00 92.39 86 A 1 ATOM 651 C CA . VAL A 0 86 . -5.557 3.786 -7.572 1.00 92.39 86 A 1 ATOM 652 C C . VAL A 0 86 . -4.471 3.185 -8.467 1.00 92.39 86 A 1 ATOM 653 C CB . VAL A 0 86 . -4.967 4.366 -6.274 1.00 92.39 86 A 1 ATOM 654 O O . VAL A 0 86 . -4.164 1.999 -8.327 1.00 92.39 86 A 1 ATOM 655 C CG1 . VAL A 0 86 . -6.036 5.154 -5.507 1.00 92.39 86 A 1 ATOM 656 C CG2 . VAL A 0 86 . -4.374 3.299 -5.342 1.00 92.39 86 A 1 ATOM 657 N N . PRO A 0 87 . -3.856 3.977 -9.360 1.00 93.79 87 A 1 ATOM 658 C CA . PRO A 0 87 . -2.720 3.513 -10.143 1.00 93.79 87 A 1 ATOM 659 C C . PRO A 0 87 . -1.541 3.137 -9.241 1.00 93.79 87 A 1 ATOM 660 C CB . PRO A 0 87 . -2.368 4.660 -11.089 1.00 93.79 87 A 1 ATOM 661 O O . PRO A 0 87 . -1.255 3.821 -8.254 1.00 93.79 87 A 1 ATOM 662 C CG . PRO A 0 87 . -2.953 5.903 -10.418 1.00 93.79 87 A 1 ATOM 663 C CD . PRO A 0 87 . -4.156 5.372 -9.651 1.00 93.79 87 A 1 ATOM 664 N N . ILE A 0 88 . -0.845 2.060 -9.603 1.00 94.75 88 A 1 ATOM 665 C CA . ILE A 0 88 . 0.311 1.546 -8.867 1.00 94.75 88 A 1 ATOM 666 C C . ILE A 0 88 . 1.610 1.783 -9.655 1.00 94.75 88 A 1 ATOM 667 C CB . ILE A 0 88 . 0.073 0.064 -8.493 1.00 94.75 88 A 1 ATOM 668 O O . ILE A 0 88 . 1.651 1.499 -10.850 1.00 94.75 88 A 1 ATOM 669 C CG1 . ILE A 0 88 . -1.059 -0.001 -7.430 1.00 94.75 88 A 1 ATOM 670 C CG2 . ILE A 0 88 . 1.358 -0.584 -7.974 1.00 94.75 88 A 1 ATOM 671 C CD1 . ILE A 0 88 . -0.930 -1.085 -6.351 1.00 94.75 88 A 1 ATOM 672 N N . PRO A 0 89 . 2.702 2.237 -9.012 1.00 93.71 89 A 1 ATOM 673 C CA . PRO A 0 89 . 3.977 2.402 -9.693 1.00 93.71 89 A 1 ATOM 674 C C . PRO A 0 89 . 4.517 1.061 -10.201 1.00 93.71 89 A 1 ATOM 675 C CB . PRO A 0 89 . 4.937 3.066 -8.704 1.00 93.71 89 A 1 ATOM 676 O O . PRO A 0 89 . 4.773 0.148 -9.411 1.00 93.71 89 A 1 ATOM 677 C CG . PRO A 0 89 . 4.177 3.191 -7.387 1.00 93.71 89 A 1 ATOM 678 C CD . PRO A 0 89 . 2.764 2.684 -7.636 1.00 93.71 89 A 1 ATOM 679 N N . ALA A 0 90 . 4.783 0.956 -11.502 1.00 92.57 90 A 1 ATOM 680 C CA . ALA A 0 90 . 5.386 -0.208 -12.149 1.00 92.57 90 A 1 ATOM 681 C C . ALA A 0 90 . 6.750 -0.555 -11.540 1.00 92.57 90 A 1 ATOM 682 C CB . ALA A 0 90 . 5.531 0.108 -13.643 1.00 92.57 90 A 1 ATOM 683 O O . ALA A 0 90 . 7.128 -1.725 -11.474 1.00 92.57 90 A 1 ATOM 684 N N . ARG A 0 91 . 7.460 0.456 -11.027 1.00 91.93 91 A 1 ATOM 685 C CA . ARG A 0 91 . 8.723 0.290 -10.307 1.00 91.93 91 A 1 ATOM 686 C C . ARG A 0 91 . 8.607 -0.573 -9.050 1.00 91.93 91 A 1 ATOM 687 C CB . ARG A 0 91 . 9.283 1.675 -9.989 1.00 91.93 91 A 1 ATOM 688 O O . ARG A 0 91 . 9.592 -1.192 -8.673 1.00 91.93 91 A 1 ATOM 689 C CG . ARG A 0 91 . 10.604 1.546 -9.229 1.00 91.93 91 A 1 ATOM 690 C CD . ARG A 0 91 . 11.253 2.901 -9.089 1.00 91.93 91 A 1 ATOM 691 N NE . ARG A 0 91 . 12.058 3.205 -10.268 1.00 91.93 91 A 1 ATOM 692 N NH1 . ARG A 0 91 . 13.218 4.839 -9.226 1.00 91.93 91 A 1 ATOM 693 N NH2 . ARG A 0 91 . 13.822 4.158 -11.289 1.00 91.93 91 A 1 ATOM 694 C CZ . ARG A 0 91 . 13.031 4.071 -10.263 1.00 91.93 91 A 1 ATOM 695 N N . LEU A 0 92 . 7.433 -0.700 -8.429 1.00 91.80 92 A 1 ATOM 696 C CA . LEU A 0 92 . 7.266 -1.625 -7.302 1.00 91.80 92 A 1 ATOM 697 C C . LEU A 0 92 . 7.573 -3.083 -7.683 1.00 91.80 92 A 1 ATOM 698 C CB . LEU A 0 92 . 5.851 -1.508 -6.725 1.00 91.80 92 A 1 ATOM 699 O O . LEU A 0 92 . 7.891 -3.867 -6.797 1.00 91.80 92 A 1 ATOM 700 C CG . LEU A 0 92 . 5.540 -0.175 -6.030 1.00 91.80 92 A 1 ATOM 701 C CD1 . LEU A 0 92 . 4.080 -0.173 -5.609 1.00 91.80 92 A 1 ATOM 702 C CD2 . LEU A 0 92 . 6.361 0.113 -4.777 1.00 91.80 92 A 1 ATOM 703 N N . ARG A 0 93 . 7.570 -3.437 -8.980 1.00 91.58 93 A 1 ATOM 704 C CA . ARG A 0 93 . 8.029 -4.751 -9.467 1.00 91.58 93 A 1 ATOM 705 C C . ARG A 0 93 . 9.507 -5.029 -9.193 1.00 91.58 93 A 1 ATOM 706 C CB . ARG A 0 93 . 7.783 -4.886 -10.978 1.00 91.58 93 A 1 ATOM 707 O O . ARG A 0 93 . 9.887 -6.191 -9.143 1.00 91.58 93 A 1 ATOM 708 C CG . ARG A 0 93 . 6.298 -4.931 -11.352 1.00 91.58 93 A 1 ATOM 709 C CD . ARG A 0 93 . 6.142 -5.163 -12.857 1.00 91.58 93 A 1 ATOM 710 N NE . ARG A 0 93 . 4.719 -5.216 -13.244 1.00 91.58 93 A 1 ATOM 711 N NH1 . ARG A 0 93 . 4.560 -3.164 -14.272 1.00 91.58 93 A 1 ATOM 712 N NH2 . ARG A 0 93 . 2.757 -4.456 -14.103 1.00 91.58 93 A 1 ATOM 713 C CZ . ARG A 0 93 . 4.024 -4.283 -13.871 1.00 91.58 93 A 1 ATOM 714 N N . SER A 0 94 . 10.343 -3.998 -9.030 1.00 87.82 94 A 1 ATOM 715 C CA . SER A 0 94 . 11.757 -4.195 -8.690 1.00 87.82 94 A 1 ATOM 716 C C . SER A 0 94 . 11.966 -4.537 -7.214 1.00 87.82 94 A 1 ATOM 717 C CB . SER A 0 94 . 12.597 -2.973 -9.082 1.00 87.82 94 A 1 ATOM 718 O O . SER A 0 94 . 13.060 -4.947 -6.838 1.00 87.82 94 A 1 ATOM 719 O OG . SER A 0 94 . 12.386 -1.874 -8.215 1.00 87.82 94 A 1 ATOM 720 N N . LEU A 0 95 . 10.954 -4.336 -6.362 1.00 84.87 95 A 1 ATOM 721 C CA . LEU A 0 95 . 10.991 -4.772 -4.970 1.00 84.87 95 A 1 ATOM 722 C C . LEU A 0 95 . 10.581 -6.245 -4.896 1.00 84.87 95 A 1 ATOM 723 C CB . LEU A 0 95 . 10.087 -3.884 -4.089 1.00 84.87 95 A 1 ATOM 724 O O . LEU A 0 95 . 9.487 -6.624 -5.306 1.00 84.87 95 A 1 ATOM 725 C CG . LEU A 0 95 . 10.822 -2.753 -3.353 1.00 84.87 95 A 1 ATOM 726 C CD1 . LEU A 0 95 . 11.482 -1.750 -4.301 1.00 84.87 95 A 1 ATOM 727 C CD2 . LEU A 0 95 . 9.829 -2.002 -2.464 1.00 84.87 95 A 1 ATOM 728 N N . SER A 0 96 . 11.443 -7.073 -4.316 1.00 78.16 96 A 1 ATOM 729 C CA . SER A 0 96 . 11.125 -8.458 -3.974 1.00 78.16 96 A 1 ATOM 730 C C . SER A 0 96 . 10.353 -8.535 -2.651 1.00 78.16 96 A 1 ATOM 731 C CB . SER A 0 96 . 12.423 -9.268 -3.897 1.00 78.16 96 A 1 ATOM 732 O O . SER A 0 96 . 10.726 -7.868 -1.683 1.00 78.16 96 A 1 ATOM 733 O OG . SER A 0 96 . 13.348 -8.626 -3.037 1.00 78.16 96 A 1 ATOM 734 N N . GLY A 0 97 . 9.321 -9.382 -2.577 1.00 80.38 97 A 1 ATOM 735 C CA . GLY A 0 97 . 8.629 -9.726 -1.326 1.00 80.38 97 A 1 ATOM 736 C C . GLY A 0 97 . 7.104 -9.731 -1.443 1.00 80.38 97 A 1 ATOM 737 O O . GLY A 0 97 . 6.551 -9.970 -2.514 1.00 80.38 97 A 1 ATOM 738 N N . ASP A 0 98 . 6.420 -9.431 -0.334 1.00 83.75 98 A 1 ATOM 739 C CA . ASP A 0 98 . 4.949 -9.498 -0.214 1.00 83.75 98 A 1 ATOM 740 C C . ASP A 0 98 . 4.194 -8.587 -1.197 1.00 83.75 98 A 1 ATOM 741 C CB . ASP A 0 98 . 4.510 -9.115 1.210 1.00 83.75 98 A 1 ATOM 742 O O . ASP A 0 98 . 3.001 -8.764 -1.439 1.00 83.75 98 A 1 ATOM 743 C CG . ASP A 0 98 . 5.305 -9.801 2.317 1.00 83.75 98 A 1 ATOM 744 O OD1 . ASP A 0 98 . 5.600 -10.999 2.159 1.00 83.75 98 A 1 ATOM 745 O OD2 . ASP A 0 98 . 5.705 -9.058 3.253 1.00 83.75 98 A 1 ATOM 746 N N . ILE A 0 99 . 4.887 -7.609 -1.787 1.00 89.63 99 A 1 ATOM 747 C CA . ILE A 0 99 . 4.303 -6.648 -2.721 1.00 89.63 99 A 1 ATOM 748 C C . ILE A 0 99 . 3.796 -7.300 -4.012 1.00 89.63 99 A 1 ATOM 749 C CB . ILE A 0 99 . 5.316 -5.520 -2.980 1.00 89.63 99 A 1 ATOM 750 O O . ILE A 0 99 . 2.889 -6.769 -4.651 1.00 89.63 99 A 1 ATOM 751 C CG1 . ILE A 0 99 . 4.570 -4.249 -3.417 1.00 89.63 99 A 1 ATOM 752 C CG2 . ILE A 0 99 . 6.421 -5.916 -3.978 1.00 89.63 99 A 1 ATOM 753 C CD1 . ILE A 0 99 . 5.420 -3.006 -3.177 1.00 89.63 99 A 1 ATOM 754 N N . THR A 0 100 . 4.303 -8.486 -4.363 1.00 91.45 100 A 1 ATOM 755 C CA . THR A 0 100 . 3.857 -9.258 -5.533 1.00 91.45 100 A 1 ATOM 756 C C . THR A 0 100 . 2.353 -9.539 -5.502 1.00 91.45 100 A 1 ATOM 757 C CB . THR A 0 100 . 4.639 -10.575 -5.620 1.00 91.45 100 A 1 ATOM 758 O O . THR A 0 100 . 1.700 -9.470 -6.541 1.00 91.45 100 A 1 ATOM 759 C CG2 . THR A 0 100 . 4.378 -11.337 -6.916 1.00 91.45 100 A 1 ATOM 760 O OG1 . THR A 0 100 . 6.017 -10.290 -5.585 1.00 91.45 100 A 1 ATOM 761 N N . LYS A 0 101 . 1.773 -9.767 -4.314 1.00 90.98 101 A 1 ATOM 762 C CA . LYS A 0 101 . 0.325 -9.992 -4.147 1.00 90.98 101 A 1 ATOM 763 C C . LYS A 0 101 . -0.507 -8.738 -4.436 1.00 90.98 101 A 1 ATOM 764 C CB . LYS A 0 101 . 0.034 -10.464 -2.714 1.00 90.98 101 A 1 ATOM 765 O O . LYS A 0 101 . -1.647 -8.829 -4.868 1.00 90.98 101 A 1 ATOM 766 C CG . LYS A 0 101 . 0.704 -11.795 -2.331 1.00 90.98 101 A 1 ATOM 767 C CD . LYS A 0 101 . 0.358 -12.125 -0.872 1.00 90.98 101 A 1 ATOM 768 C CE . LYS A 0 101 . 1.019 -13.416 -0.372 1.00 90.98 101 A 1 ATOM 769 N NZ . LYS A 0 101 . 0.720 -13.646 1.068 1.00 90.98 101 A 1 ATOM 770 N N . ILE A 0 102 . 0.056 -7.556 -4.191 1.00 92.23 102 A 1 ATOM 771 C CA . ILE A 0 102 . -0.585 -6.275 -4.516 1.00 92.23 102 A 1 ATOM 772 C C . ILE A 0 102 . -0.509 -6.041 -6.027 1.00 92.23 102 A 1 ATOM 773 C CB . ILE A 0 102 . 0.081 -5.136 -3.712 1.00 92.23 102 A 1 ATOM 774 O O . ILE A 0 102 . -1.491 -5.641 -6.649 1.00 92.23 102 A 1 ATOM 775 C CG1 . ILE A 0 102 . -0.116 -5.378 -2.200 1.00 92.23 102 A 1 ATOM 776 C CG2 . ILE A 0 102 . -0.462 -3.756 -4.112 1.00 92.23 102 A 1 ATOM 777 C CD1 . ILE A 0 102 . 0.588 -4.345 -1.320 1.00 92.23 102 A 1 ATOM 778 N N . LEU A 0 103 . 0.651 -6.334 -6.621 1.00 92.56 103 A 1 ATOM 779 C CA . LEU A 0 103 . 0.888 -6.190 -8.056 1.00 92.56 103 A 1 ATOM 780 C C . LEU A 0 103 . -0.015 -7.100 -8.899 1.00 92.56 103 A 1 ATOM 781 C CB . LEU A 0 103 . 2.371 -6.475 -8.351 1.00 92.56 103 A 1 ATOM 782 O O . LEU A 0 103 . -0.391 -6.698 -9.993 1.00 92.56 103 A 1 ATOM 783 C CG . LEU A 0 103 . 3.346 -5.434 -7.774 1.00 92.56 103 A 1 ATOM 784 C CD1 . LEU A 0 103 . 4.778 -5.952 -7.876 1.00 92.56 103 A 1 ATOM 785 C CD2 . LEU A 0 103 . 3.263 -4.109 -8.528 1.00 92.56 103 A 1 ATOM 786 N N . SER A 0 104 . -0.393 -8.285 -8.411 1.00 90.96 104 A 1 ATOM 787 C CA . SER A 0 104 . -1.294 -9.188 -9.142 1.00 90.96 104 A 1 ATOM 788 C C . SER A 0 104 . -2.753 -8.720 -9.176 1.00 90.96 104 A 1 ATOM 789 C CB . SER A 0 104 . -1.219 -10.602 -8.564 1.00 90.96 104 A 1 ATOM 790 O O . SER A 0 104 . -3.490 -9.114 -10.075 1.00 90.96 104 A 1 ATOM 791 O OG . SER A 0 104 . -1.648 -10.618 -7.218 1.00 90.96 104 A 1 ATOM 792 N N . ILE A 0 105 . -3.177 -7.886 -8.220 1.00 93.00 105 A 1 ATOM 793 C CA . ILE A 0 105 . -4.547 -7.346 -8.142 1.00 93.00 105 A 1 ATOM 794 C C . ILE A 0 105 . -4.664 -5.980 -8.832 1.00 93.00 105 A 1 ATOM 795 C CB . ILE A 0 105 . -5.005 -7.301 -6.664 1.00 93.00 105 A 1 ATOM 796 O O . ILE A 0 105 . -5.756 -5.567 -9.227 1.00 93.00 105 A 1 ATOM 797 C CG1 . ILE A 0 105 . -5.021 -8.741 -6.100 1.00 93.00 105 A 1 ATOM 798 C CG2 . ILE A 0 105 . -6.379 -6.616 -6.505 1.00 93.00 105 A 1 ATOM 799 C CD1 . ILE A 0 105 . -5.608 -8.855 -4.693 1.00 93.00 105 A 1 ATOM 800 N N . ALA A 0 106 . -3.555 -5.253 -8.963 1.00 92.87 106 A 1 ATOM 801 C CA . ALA A 0 106 . -3.543 -3.926 -9.560 1.00 92.87 106 A 1 ATOM 802 C C . ALA A 0 106 . -3.969 -3.964 -11.037 1.00 92.87 106 A 1 ATOM 803 C CB . ALA A 0 106 . -2.147 -3.329 -9.378 1.00 92.87 106 A 1 ATOM 804 O O . ALA A 0 106 . -3.390 -4.687 -11.845 1.00 92.87 106 A 1 ATOM 805 N N . SER A 0 107 . -4.962 -3.147 -11.397 1.00 92.72 107 A 1 ATOM 806 C CA . SER A 0 107 . -5.453 -3.037 -12.778 1.00 92.72 107 A 1 ATOM 807 C C . SER A 0 107 . -4.673 -2.023 -13.614 1.00 92.72 107 A 1 ATOM 808 C CB . SER A 0 107 . -6.932 -2.645 -12.760 1.00 92.72 107 A 1 ATOM 809 O O . SER A 0 107 . -4.573 -2.172 -14.828 1.00 92.72 107 A 1 ATOM 810 O OG . SER A 0 107 . -7.116 -1.406 -12.095 1.00 92.72 107 A 1 ATOM 811 N N . SER A 0 108 . -4.137 -0.984 -12.970 1.00 93.37 108 A 1 ATOM 812 C CA . SER A 0 108 . -3.541 0.173 -13.639 1.00 93.37 108 A 1 ATOM 813 C C . SER A 0 108 . -2.145 0.440 -13.092 1.00 93.37 108 A 1 ATOM 814 C CB . SER A 0 108 . -4.431 1.411 -13.474 1.00 93.37 108 A 1 ATOM 815 O O . SER A 0 108 . -1.962 0.553 -11.877 1.00 93.37 108 A 1 ATOM 816 O OG . SER A 0 108 . -5.753 1.138 -13.908 1.00 93.37 108 A 1 ATOM 817 N N . PHE A 0 109 . -1.170 0.575 -13.993 1.00 93.41 109 A 1 ATOM 818 C CA . PHE A 0 109 . 0.227 0.841 -13.656 1.00 93.41 109 A 1 ATOM 819 C C . PHE A 0 109 . 0.700 2.173 -14.234 1.00 93.41 109 A 1 ATOM 820 C CB . PHE A 0 109 . 1.132 -0.307 -14.115 1.00 93.41 109 A 1 ATOM 821 O O . PHE A 0 109 . 0.264 2.556 -15.319 1.00 93.41 109 A 1 ATOM 822 C CG . PHE A 0 109 . 0.845 -1.622 -13.425 1.00 93.41 109 A 1 ATOM 823 C CD1 . PHE A 0 109 . 1.453 -1.917 -12.190 1.00 93.41 109 A 1 ATOM 824 C CD2 . PHE A 0 109 . -0.070 -2.529 -13.994 1.00 93.41 109 A 1 ATOM 825 C CE1 . PHE A 0 109 . 1.152 -3.122 -11.534 1.00 93.41 109 A 1 ATOM 826 C CE2 . PHE A 0 109 . -0.374 -3.728 -13.331 1.00 93.41 109 A 1 ATOM 827 C CZ . PHE A 0 109 . 0.243 -4.028 -12.108 1.00 93.41 109 A 1 ATOM 828 N N . VAL A 0 110 . 1.603 2.838 -13.510 1.00 91.53 110 A 1 ATOM 829 C CA . VAL A 0 110 . 2.294 4.076 -13.918 1.00 91.53 110 A 1 ATOM 830 C C . VAL A 0 110 . 3.799 3.908 -13.793 1.00 91.53 110 A 1 ATOM 831 C CB . VAL A 0 110 . 1.783 5.288 -13.122 1.00 91.53 110 A 1 ATOM 832 O O . VAL A 0 110 . 4.239 3.272 -12.809 1.00 91.53 110 A 1 ATOM 833 C CG1 . VAL A 0 110 . 2.521 6.578 -13.499 1.00 91.53 110 A 1 ATOM 834 C CG2 . VAL A 0 110 . 0.296 5.530 -13.409 1.00 91.53 110 A 1 ATOM 835 O OXT . VAL A 0 110 . 4.497 4.403 -14.690 1.00 91.53 110 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 86.75 # loop_ _atom_type.symbol C N O S #