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 SER 0 3 ARG 0 4 VAL 0 5 LYS 0 6 ASN 0 7 GLN 0 8 ARG 0 9 GLY 0 10 ARG 0 11 PRO 0 12 HIS 0 13 THR 0 14 HIS 0 15 THR 0 16 ASP 0 17 GLN 0 18 THR 0 19 ARG 0 20 ALA 0 21 ALA 0 22 VAL 0 23 TYR 0 24 PRO 0 25 VAL 0 26 TYR 0 27 PRO 0 28 CYS 0 29 SER 0 30 ALA 0 31 PRO 0 32 THR 0 33 SER 0 34 PRO 0 35 ALA 0 36 THR 0 37 THR 0 38 MET 0 39 SER 0 40 LYS 0 41 ARG 0 42 LYS 0 43 ALA 0 44 LYS 0 45 GLY 0 46 ASP 0 47 ALA 0 48 LYS 0 49 GLY 0 50 ASP 0 51 LYS 0 52 THR 0 53 LYS 0 54 VAL 0 55 LYS 0 56 ASP 0 57 LYS 0 58 PRO 0 59 GLN 0 60 ARG 0 61 PRO 0 62 GLU 0 63 ARG 0 64 LEU 0 65 SER 0 66 ALA 0 67 LYS 0 68 PRO 0 69 ALA 0 70 PRO 0 71 PRO 0 72 LYS 0 73 PRO 0 74 GLU 0 75 PRO 0 76 THR 0 77 PRO 0 78 LYS 0 79 LYS 0 80 ALA 0 81 PRO 0 82 GLU 0 83 LYS 0 84 LYS 0 85 GLY 0 86 GLU 0 87 LYS 0 88 VAL 0 89 PRO 0 90 LYS 0 91 GLY 0 92 ARG 0 93 LYS 0 94 GLY 0 95 LYS 0 96 ALA 0 97 ASN 0 98 ALA 0 99 GLY 0 100 LYS 0 101 ASP 0 102 ALA 0 103 ASN 0 104 ASN 0 105 PRO 0 106 ALA 0 107 GLU 0 108 ASN 0 109 GLY 0 110 ASP 0 111 ALA 0 112 LYS 0 113 ARG 0 114 ASP 0 115 GLN 0 116 ALA 0 117 GLN 0 118 LYS 0 119 ALA # 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 . 35.261 27.307 -23.279 1.00 57.13 1 A 1 ATOM 2 C CA . MET A 0 1 . 33.837 26.891 -23.215 1.00 57.13 1 A 1 ATOM 3 C C . MET A 0 1 . 33.815 25.412 -22.819 1.00 57.13 1 A 1 ATOM 4 C CB . MET A 0 1 . 33.195 27.077 -24.604 1.00 57.13 1 A 1 ATOM 5 O O . MET A 0 1 . 34.621 24.689 -23.369 1.00 57.13 1 A 1 ATOM 6 C CG . MET A 0 1 . 33.181 28.519 -25.128 1.00 57.13 1 A 1 ATOM 7 S SD . MET A 0 1 . 34.665 29.002 -26.044 1.00 57.13 1 A 1 ATOM 8 C CE . MET A 0 1 . 33.997 30.394 -27.006 1.00 57.13 1 A 1 ATOM 9 N N . SER A 0 2 . 33.058 24.854 -21.877 1.00 61.10 2 A 1 ATOM 10 C CA . SER A 0 2 . 31.903 25.305 -21.104 1.00 61.10 2 A 1 ATOM 11 C C . SER A 0 2 . 31.792 24.440 -19.842 1.00 61.10 2 A 1 ATOM 12 C CB . SER A 0 2 . 30.628 25.094 -21.928 1.00 61.10 2 A 1 ATOM 13 O O . SER A 0 2 . 31.959 23.225 -19.895 1.00 61.10 2 A 1 ATOM 14 O OG . SER A 0 2 . 30.529 26.140 -22.866 1.00 61.10 2 A 1 ATOM 15 N N . ARG A 0 3 . 31.479 25.064 -18.702 1.00 69.38 3 A 1 ATOM 16 C CA . ARG A 0 3 . 31.059 24.382 -17.469 1.00 69.38 3 A 1 ATOM 17 C C . ARG A 0 3 . 29.673 23.775 -17.725 1.00 69.38 3 A 1 ATOM 18 C CB . ARG A 0 3 . 31.029 25.409 -16.305 1.00 69.38 3 A 1 ATOM 19 O O . ARG A 0 3 . 28.717 24.531 -17.881 1.00 69.38 3 A 1 ATOM 20 C CG . ARG A 0 3 . 31.981 25.056 -15.154 1.00 69.38 3 A 1 ATOM 21 C CD . ARG A 0 3 . 31.858 26.016 -13.955 1.00 69.38 3 A 1 ATOM 22 N NE . ARG A 0 3 . 32.602 27.284 -14.130 1.00 69.38 3 A 1 ATOM 23 N NH1 . ARG A 0 3 . 32.687 27.899 -11.908 1.00 69.38 3 A 1 ATOM 24 N NH2 . ARG A 0 3 . 33.720 29.154 -13.425 1.00 69.38 3 A 1 ATOM 25 C CZ . ARG A 0 3 . 32.995 28.102 -13.160 1.00 69.38 3 A 1 ATOM 26 N N . VAL A 0 4 . 29.540 22.448 -17.764 1.00 69.16 4 A 1 ATOM 27 C CA . VAL A 0 4 . 28.219 21.809 -17.862 1.00 69.16 4 A 1 ATOM 28 C C . VAL A 0 4 . 27.567 21.800 -16.473 1.00 69.16 4 A 1 ATOM 29 C CB . VAL A 0 4 . 28.266 20.457 -18.612 1.00 69.16 4 A 1 ATOM 30 O O . VAL A 0 4 . 27.824 20.958 -15.620 1.00 69.16 4 A 1 ATOM 31 C CG1 . VAL A 0 4 . 28.827 19.271 -17.820 1.00 69.16 4 A 1 ATOM 32 C CG2 . VAL A 0 4 . 26.878 20.093 -19.149 1.00 69.16 4 A 1 ATOM 33 N N . LYS A 0 5 . 26.759 22.826 -16.202 1.00 66.63 5 A 1 ATOM 34 C CA . LYS A 0 5 . 25.772 22.814 -15.118 1.00 66.63 5 A 1 ATOM 35 C C . LYS A 0 5 . 24.567 22.027 -15.625 1.00 66.63 5 A 1 ATOM 36 C CB . LYS A 0 5 . 25.338 24.254 -14.772 1.00 66.63 5 A 1 ATOM 37 O O . LYS A 0 5 . 23.881 22.518 -16.514 1.00 66.63 5 A 1 ATOM 38 C CG . LYS A 0 5 . 26.290 25.018 -13.839 1.00 66.63 5 A 1 ATOM 39 C CD . LYS A 0 5 . 25.834 26.484 -13.721 1.00 66.63 5 A 1 ATOM 40 C CE . LYS A 0 5 . 26.596 27.250 -12.630 1.00 66.63 5 A 1 ATOM 41 N NZ . LYS A 0 5 . 26.171 28.675 -12.556 1.00 66.63 5 A 1 ATOM 42 N N . ASN A 0 6 . 24.258 20.867 -15.048 1.00 70.38 6 A 1 ATOM 43 C CA . ASN A 0 6 . 22.911 20.314 -15.188 1.00 70.38 6 A 1 ATOM 44 C C . ASN A 0 6 . 22.360 19.859 -13.832 1.00 70.38 6 A 1 ATOM 45 C CB . ASN A 0 6 . 22.839 19.268 -16.318 1.00 70.38 6 A 1 ATOM 46 O O . ASN A 0 6 . 22.506 18.717 -13.412 1.00 70.38 6 A 1 ATOM 47 C CG . ASN A 0 6 . 21.457 19.223 -16.960 1.00 70.38 6 A 1 ATOM 48 N ND2 . ASN A 0 6 . 21.181 18.215 -17.751 1.00 70.38 6 A 1 ATOM 49 O OD1 . ASN A 0 6 . 20.614 20.091 -16.776 1.00 70.38 6 A 1 ATOM 50 N N . GLN A 0 7 . 21.750 20.816 -13.134 1.00 61.19 7 A 1 ATOM 51 C CA . GLN A 0 7 . 20.962 20.622 -11.921 1.00 61.19 7 A 1 ATOM 52 C C . GLN A 0 7 . 19.531 20.221 -12.305 1.00 61.19 7 A 1 ATOM 53 C CB . GLN A 0 7 . 20.888 21.953 -11.143 1.00 61.19 7 A 1 ATOM 54 O O . GLN A 0 7 . 18.667 21.092 -12.347 1.00 61.19 7 A 1 ATOM 55 C CG . GLN A 0 7 . 22.190 22.522 -10.579 1.00 61.19 7 A 1 ATOM 56 C CD . GLN A 0 7 . 21.933 23.865 -9.891 1.00 61.19 7 A 1 ATOM 57 N NE2 . GLN A 0 7 . 22.955 24.636 -9.603 1.00 61.19 7 A 1 ATOM 58 O OE1 . GLN A 0 7 . 20.821 24.266 -9.603 1.00 61.19 7 A 1 ATOM 59 N N . ARG A 0 8 . 19.233 18.958 -12.631 1.00 60.55 8 A 1 ATOM 60 C CA . ARG A 0 8 . 17.832 18.539 -12.855 1.00 60.55 8 A 1 ATOM 61 C C . ARG A 0 8 . 17.596 17.092 -12.447 1.00 60.55 8 A 1 ATOM 62 C CB . ARG A 0 8 . 17.375 18.783 -14.311 1.00 60.55 8 A 1 ATOM 63 O O . ARG A 0 8 . 17.707 16.179 -13.249 1.00 60.55 8 A 1 ATOM 64 C CG . ARG A 0 8 . 17.332 20.271 -14.685 1.00 60.55 8 A 1 ATOM 65 C CD . ARG A 0 8 . 16.661 20.555 -16.020 1.00 60.55 8 A 1 ATOM 66 N NE . ARG A 0 8 . 16.926 21.948 -16.423 1.00 60.55 8 A 1 ATOM 67 N NH1 . ARG A 0 8 . 15.479 22.028 -18.199 1.00 60.55 8 A 1 ATOM 68 N NH2 . ARG A 0 8 . 16.796 23.777 -17.774 1.00 60.55 8 A 1 ATOM 69 C CZ . ARG A 0 8 . 16.401 22.576 -17.458 1.00 60.55 8 A 1 ATOM 70 N N . GLY A 0 9 . 17.223 16.916 -11.190 1.00 60.66 9 A 1 ATOM 71 C CA . GLY A 0 9 . 16.670 15.670 -10.679 1.00 60.66 9 A 1 ATOM 72 C C . GLY A 0 9 . 16.111 15.917 -9.292 1.00 60.66 9 A 1 ATOM 73 O O . GLY A 0 9 . 16.713 15.512 -8.305 1.00 60.66 9 A 1 ATOM 74 N N . ARG A 0 10 . 15.020 16.690 -9.210 1.00 59.97 10 A 1 ATOM 75 C CA . ARG A 0 10 . 14.282 16.875 -7.957 1.00 59.97 10 A 1 ATOM 76 C C . ARG A 0 10 . 13.871 15.491 -7.430 1.00 59.97 10 A 1 ATOM 77 C CB . ARG A 0 10 . 13.020 17.724 -8.175 1.00 59.97 10 A 1 ATOM 78 O O . ARG A 0 10 . 13.400 14.684 -8.231 1.00 59.97 10 A 1 ATOM 79 C CG . ARG A 0 10 . 13.303 19.195 -8.509 1.00 59.97 10 A 1 ATOM 80 C CD . ARG A 0 10 . 11.980 19.972 -8.509 1.00 59.97 10 A 1 ATOM 81 N NE . ARG A 0 10 . 12.161 21.388 -8.887 1.00 59.97 10 A 1 ATOM 82 N NH1 . ARG A 0 10 . 10.046 22.101 -8.331 1.00 59.97 10 A 1 ATOM 83 N NH2 . ARG A 0 10 . 11.502 23.548 -9.200 1.00 59.97 10 A 1 ATOM 84 C CZ . ARG A 0 10 . 11.239 22.335 -8.804 1.00 59.97 10 A 1 ATOM 85 N N . PRO A 0 11 . 14.022 15.207 -6.129 1.00 65.61 11 A 1 ATOM 86 C CA . PRO A 0 11 . 13.539 13.957 -5.568 1.00 65.61 11 A 1 ATOM 87 C C . PRO A 0 11 . 12.012 13.909 -5.682 1.00 65.61 11 A 1 ATOM 88 C CB . PRO A 0 11 . 14.038 13.937 -4.120 1.00 65.61 11 A 1 ATOM 89 O O . PRO A 0 11 . 11.322 14.866 -5.325 1.00 65.61 11 A 1 ATOM 90 C CG . PRO A 0 11 . 14.183 15.417 -3.766 1.00 65.61 11 A 1 ATOM 91 C CD . PRO A 0 11 . 14.568 16.069 -5.092 1.00 65.61 11 A 1 ATOM 92 N N . HIS A 0 12 . 11.483 12.789 -6.170 1.00 63.99 12 A 1 ATOM 93 C CA . HIS A 0 12 . 10.066 12.473 -6.046 1.00 63.99 12 A 1 ATOM 94 C C . HIS A 0 12 . 9.784 12.138 -4.580 1.00 63.99 12 A 1 ATOM 95 C CB . HIS A 0 12 . 9.686 11.323 -6.992 1.00 63.99 12 A 1 ATOM 96 O O . HIS A 0 12 . 9.850 10.985 -4.165 1.00 63.99 12 A 1 ATOM 97 C CG . HIS A 0 12 . 9.511 11.761 -8.422 1.00 63.99 12 A 1 ATOM 98 C CD2 . HIS A 0 12 . 10.424 11.662 -9.437 1.00 63.99 12 A 1 ATOM 99 N ND1 . HIS A 0 12 . 8.371 12.320 -8.955 1.00 63.99 12 A 1 ATOM 100 C CE1 . HIS A 0 12 . 8.592 12.550 -10.260 1.00 63.99 12 A 1 ATOM 101 N NE2 . HIS A 0 12 . 9.834 12.174 -10.598 1.00 63.99 12 A 1 ATOM 102 N N . THR A 0 13 . 9.503 13.153 -3.768 1.00 53.27 13 A 1 ATOM 103 C CA . THR A 0 13 . 8.897 12.933 -2.458 1.00 53.27 13 A 1 ATOM 104 C C . THR A 0 13 . 7.436 12.568 -2.692 1.00 53.27 13 A 1 ATOM 105 C CB . THR A 0 13 . 9.050 14.153 -1.536 1.00 53.27 13 A 1 ATOM 106 O O . THR A 0 13 . 6.601 13.442 -2.920 1.00 53.27 13 A 1 ATOM 107 C CG2 . THR A 0 13 . 10.514 14.385 -1.159 1.00 53.27 13 A 1 ATOM 108 O OG1 . THR A 0 13 . 8.584 15.321 -2.169 1.00 53.27 13 A 1 ATOM 109 N N . HIS A 0 14 . 7.124 11.270 -2.666 1.00 65.24 14 A 1 ATOM 110 C CA . HIS A 0 14 . 5.761 10.808 -2.416 1.00 65.24 14 A 1 ATOM 111 C C . HIS A 0 14 . 5.450 11.144 -0.956 1.00 65.24 14 A 1 ATOM 112 C CB . HIS A 0 14 . 5.621 9.313 -2.747 1.00 65.24 14 A 1 ATOM 113 O O . HIS A 0 14 . 5.666 10.350 -0.039 1.00 65.24 14 A 1 ATOM 114 C CG . HIS A 0 14 . 4.270 8.735 -2.387 1.00 65.24 14 A 1 ATOM 115 C CD2 . HIS A 0 14 . 3.254 8.399 -3.242 1.00 65.24 14 A 1 ATOM 116 N ND1 . HIS A 0 14 . 3.840 8.418 -1.117 1.00 65.24 14 A 1 ATOM 117 C CE1 . HIS A 0 14 . 2.602 7.904 -1.200 1.00 65.24 14 A 1 ATOM 118 N NE2 . HIS A 0 14 . 2.206 7.874 -2.482 1.00 65.24 14 A 1 ATOM 119 N N . THR A 0 15 . 5.044 12.388 -0.725 1.00 54.40 15 A 1 ATOM 120 C CA . THR A 0 15 . 4.463 12.797 0.543 1.00 54.40 15 A 1 ATOM 121 C C . THR A 0 15 . 3.148 12.048 0.664 1.00 54.40 15 A 1 ATOM 122 C CB . THR A 0 15 . 4.262 14.316 0.589 1.00 54.40 15 A 1 ATOM 123 O O . THR A 0 15 . 2.193 12.340 -0.050 1.00 54.40 15 A 1 ATOM 124 C CG2 . THR A 0 15 . 3.725 14.791 1.938 1.00 54.40 15 A 1 ATOM 125 O OG1 . THR A 0 15 . 5.511 14.944 0.399 1.00 54.40 15 A 1 ATOM 126 N N . ASP A 0 16 . 3.131 11.045 1.534 1.00 54.13 16 A 1 ATOM 127 C CA . ASP A 0 16 . 1.945 10.270 1.867 1.00 54.13 16 A 1 ATOM 128 C C . ASP A 0 16 . 0.990 11.162 2.672 1.00 54.13 16 A 1 ATOM 129 C CB . ASP A 0 16 . 2.380 8.988 2.591 1.00 54.13 16 A 1 ATOM 130 O O . ASP A 0 16 . 0.952 11.166 3.902 1.00 54.13 16 A 1 ATOM 131 C CG . ASP A 0 16 . 1.346 7.867 2.483 1.00 54.13 16 A 1 ATOM 132 O OD1 . ASP A 0 16 . 0.162 8.169 2.187 1.00 54.13 16 A 1 ATOM 133 O OD2 . ASP A 0 16 . 1.781 6.711 2.664 1.00 54.13 16 A 1 ATOM 134 N N . GLN A 0 17 . 0.275 12.028 1.956 1.00 61.30 17 A 1 ATOM 135 C CA . GLN A 0 17 . -0.674 12.983 2.519 1.00 61.30 17 A 1 ATOM 136 C C . GLN A 0 17 . -2.031 12.325 2.829 1.00 61.30 17 A 1 ATOM 137 C CB . GLN A 0 17 . -0.763 14.216 1.599 1.00 61.30 17 A 1 ATOM 138 O O . GLN A 0 17 . -3.016 13.014 3.073 1.00 61.30 17 A 1 ATOM 139 C CG . GLN A 0 17 . -0.792 15.525 2.403 1.00 61.30 17 A 1 ATOM 140 C CD . GLN A 0 17 . -0.773 16.763 1.509 1.00 61.30 17 A 1 ATOM 141 N NE2 . GLN A 0 17 . -0.173 17.850 1.945 1.00 61.30 17 A 1 ATOM 142 O OE1 . GLN A 0 17 . -1.289 16.794 0.408 1.00 61.30 17 A 1 ATOM 143 N N . THR A 0 18 . -2.095 10.989 2.849 1.00 58.44 18 A 1 ATOM 144 C CA . THR A 0 18 . -3.356 10.241 2.967 1.00 58.44 18 A 1 ATOM 145 C C . THR A 0 18 . -3.691 9.825 4.392 1.00 58.44 18 A 1 ATOM 146 C CB . THR A 0 18 . -3.411 9.022 2.034 1.00 58.44 18 A 1 ATOM 147 O O . THR A 0 18 . -4.781 9.316 4.642 1.00 58.44 18 A 1 ATOM 148 C CG2 . THR A 0 18 . -4.828 8.829 1.487 1.00 58.44 18 A 1 ATOM 149 O OG1 . THR A 0 18 . -2.546 9.177 0.932 1.00 58.44 18 A 1 ATOM 150 N N . ARG A 0 19 . -2.838 10.116 5.383 1.00 56.90 19 A 1 ATOM 151 C CA . ARG A 0 19 . -3.244 10.011 6.794 1.00 56.90 19 A 1 ATOM 152 C C . ARG A 0 19 . -4.066 11.233 7.215 1.00 56.90 19 A 1 ATOM 153 C CB . ARG A 0 19 . -2.058 9.659 7.702 1.00 56.90 19 A 1 ATOM 154 O O . ARG A 0 19 . -3.834 11.825 8.266 1.00 56.90 19 A 1 ATOM 155 C CG . ARG A 0 19 . -2.553 8.988 8.995 1.00 56.90 19 A 1 ATOM 156 C CD . ARG A 0 19 . -1.373 8.605 9.888 1.00 56.90 19 A 1 ATOM 157 N NE . ARG A 0 19 . -1.826 7.959 11.135 1.00 56.90 19 A 1 ATOM 158 N NH1 . ARG A 0 19 . 0.257 7.515 11.986 1.00 56.90 19 A 1 ATOM 159 N NH2 . ARG A 0 19 . -1.555 6.925 13.149 1.00 56.90 19 A 1 ATOM 160 C CZ . ARG A 0 19 . -1.043 7.471 12.081 1.00 56.90 19 A 1 ATOM 161 N N . ALA A 0 20 . -5.048 11.601 6.395 1.00 55.93 20 A 1 ATOM 162 C CA . ALA A 0 20 . -6.185 12.381 6.834 1.00 55.93 20 A 1 ATOM 163 C C . ALA A 0 20 . -6.909 11.533 7.880 1.00 55.93 20 A 1 ATOM 164 C CB . ALA A 0 20 . -7.063 12.735 5.627 1.00 55.93 20 A 1 ATOM 165 O O . ALA A 0 20 . -7.679 10.637 7.557 1.00 55.93 20 A 1 ATOM 166 N N . ALA A 0 21 . -6.529 11.746 9.139 1.00 58.03 21 A 1 ATOM 167 C CA . ALA A 0 21 . -7.471 11.974 10.216 1.00 58.03 21 A 1 ATOM 168 C C . ALA A 0 21 . -8.798 11.211 10.063 1.00 58.03 21 A 1 ATOM 169 C CB . ALA A 0 21 . -7.638 13.495 10.308 1.00 58.03 21 A 1 ATOM 170 O O . ALA A 0 21 . -9.869 11.808 9.971 1.00 58.03 21 A 1 ATOM 171 N N . VAL A 0 22 . -8.734 9.877 10.075 1.00 63.12 22 A 1 ATOM 172 C CA . VAL A 0 22 . -9.894 9.049 10.399 1.00 63.12 22 A 1 ATOM 173 C C . VAL A 0 22 . -10.116 9.240 11.895 1.00 63.12 22 A 1 ATOM 174 C CB . VAL A 0 22 . -9.711 7.572 9.992 1.00 63.12 22 A 1 ATOM 175 O O . VAL A 0 22 . -9.717 8.417 12.715 1.00 63.12 22 A 1 ATOM 176 C CG1 . VAL A 0 22 . -10.990 6.765 10.265 1.00 63.12 22 A 1 ATOM 177 C CG2 . VAL A 0 22 . -9.391 7.435 8.498 1.00 63.12 22 A 1 ATOM 178 N N . TYR A 0 23 . -10.666 10.392 12.272 1.00 60.40 23 A 1 ATOM 179 C CA . TYR A 0 23 . -11.274 10.539 13.578 1.00 60.40 23 A 1 ATOM 180 C C . TYR A 0 23 . -12.534 9.675 13.540 1.00 60.40 23 A 1 ATOM 181 C CB . TYR A 0 23 . -11.585 12.006 13.895 1.00 60.40 23 A 1 ATOM 182 O O . TYR A 0 23 . -13.403 9.925 12.700 1.00 60.40 23 A 1 ATOM 183 C CG . TYR A 0 23 . -10.348 12.823 14.213 1.00 60.40 23 A 1 ATOM 184 C CD1 . TYR A 0 23 . -9.715 12.684 15.464 1.00 60.40 23 A 1 ATOM 185 C CD2 . TYR A 0 23 . -9.826 13.716 13.260 1.00 60.40 23 A 1 ATOM 186 C CE1 . TYR A 0 23 . -8.551 13.421 15.757 1.00 60.40 23 A 1 ATOM 187 C CE2 . TYR A 0 23 . -8.664 14.457 13.551 1.00 60.40 23 A 1 ATOM 188 O OH . TYR A 0 23 . -6.889 15.012 15.055 1.00 60.40 23 A 1 ATOM 189 C CZ . TYR A 0 23 . -8.019 14.304 14.793 1.00 60.40 23 A 1 ATOM 190 N N . PRO A 0 24 . -12.649 8.634 14.382 1.00 63.90 24 A 1 ATOM 191 C CA . PRO A 0 24 . -13.915 7.946 14.523 1.00 63.90 24 A 1 ATOM 192 C C . PRO A 0 24 . -14.947 8.990 14.950 1.00 63.90 24 A 1 ATOM 193 C CB . PRO A 0 24 . -13.684 6.838 15.554 1.00 63.90 24 A 1 ATOM 194 O O . PRO A 0 24 . -14.800 9.642 15.984 1.00 63.90 24 A 1 ATOM 195 C CG . PRO A 0 24 . -12.484 7.330 16.363 1.00 63.90 24 A 1 ATOM 196 C CD . PRO A 0 24 . -11.685 8.160 15.362 1.00 63.90 24 A 1 ATOM 197 N N . VAL A 0 25 . -15.960 9.184 14.109 1.00 67.89 25 A 1 ATOM 198 C CA . VAL A 0 25 . -17.158 9.949 14.440 1.00 67.89 25 A 1 ATOM 199 C C . VAL A 0 25 . -17.753 9.276 15.668 1.00 67.89 25 A 1 ATOM 200 C CB . VAL A 0 25 . -18.140 9.946 13.248 1.00 67.89 25 A 1 ATOM 201 O O . VAL A 0 25 . -18.320 8.189 15.570 1.00 67.89 25 A 1 ATOM 202 C CG1 . VAL A 0 25 . -19.495 10.575 13.595 1.00 67.89 25 A 1 ATOM 203 C CG2 . VAL A 0 25 . -17.545 10.723 12.065 1.00 67.89 25 A 1 ATOM 204 N N . TYR A 0 26 . -17.559 9.871 16.843 1.00 66.60 26 A 1 ATOM 205 C CA . TYR A 0 26 . -18.224 9.405 18.048 1.00 66.60 26 A 1 ATOM 206 C C . TYR A 0 26 . -19.723 9.622 17.833 1.00 66.60 26 A 1 ATOM 207 C CB . TYR A 0 26 . -17.717 10.161 19.284 1.00 66.60 26 A 1 ATOM 208 O O . TYR A 0 26 . -20.133 10.772 17.649 1.00 66.60 26 A 1 ATOM 209 C CG . TYR A 0 26 . -16.266 9.880 19.618 1.00 66.60 26 A 1 ATOM 210 C CD1 . TYR A 0 26 . -15.921 8.710 20.323 1.00 66.60 26 A 1 ATOM 211 C CD2 . TYR A 0 26 . -15.260 10.777 19.210 1.00 66.60 26 A 1 ATOM 212 C CE1 . TYR A 0 26 . -14.571 8.435 20.615 1.00 66.60 26 A 1 ATOM 213 C CE2 . TYR A 0 26 . -13.910 10.507 19.501 1.00 66.60 26 A 1 ATOM 214 O OH . TYR A 0 26 . -12.263 9.065 20.484 1.00 66.60 26 A 1 ATOM 215 C CZ . TYR A 0 26 . -13.564 9.333 20.203 1.00 66.60 26 A 1 ATOM 216 N N . PRO A 0 27 . -20.563 8.570 17.827 1.00 68.83 27 A 1 ATOM 217 C CA . PRO A 0 27 . -21.998 8.772 17.864 1.00 68.83 27 A 1 ATOM 218 C C . PRO A 0 27 . -22.303 9.495 19.175 1.00 68.83 27 A 1 ATOM 219 C CB . PRO A 0 27 . -22.624 7.379 17.750 1.00 68.83 27 A 1 ATOM 220 O O . PRO A 0 27 . -22.186 8.916 20.259 1.00 68.83 27 A 1 ATOM 221 C CG . PRO A 0 27 . -21.533 6.441 18.266 1.00 68.83 27 A 1 ATOM 222 C CD . PRO A 0 27 . -20.233 7.156 17.907 1.00 68.83 27 A 1 ATOM 223 N N . CYS A 0 28 . -22.622 10.786 19.060 1.00 64.10 28 A 1 ATOM 224 C CA . CYS A 0 28 . -23.094 11.630 20.145 1.00 64.10 28 A 1 ATOM 225 C C . CYS A 0 28 . -24.355 10.970 20.699 1.00 64.10 28 A 1 ATOM 226 C CB . CYS A 0 28 . -23.341 13.046 19.607 1.00 64.10 28 A 1 ATOM 227 O O . CYS A 0 28 . -25.455 11.112 20.167 1.00 64.10 28 A 1 ATOM 228 S SG . CYS A 0 28 . -23.712 14.164 20.988 1.00 64.10 28 A 1 ATOM 229 N N . SER A 0 29 . -24.160 10.136 21.712 1.00 67.27 29 A 1 ATOM 230 C CA . SER A 0 29 . -25.231 9.450 22.405 1.00 67.27 29 A 1 ATOM 231 C C . SER A 0 29 . -25.862 10.515 23.282 1.00 67.27 29 A 1 ATOM 232 C CB . SER A 0 29 . -24.669 8.269 23.201 1.00 67.27 29 A 1 ATOM 233 O O . SER A 0 29 . -25.387 10.771 24.387 1.00 67.27 29 A 1 ATOM 234 O OG . SER A 0 29 . -23.931 7.409 22.347 1.00 67.27 29 A 1 ATOM 235 N N . ALA A 0 30 . -26.847 11.223 22.728 1.00 65.17 30 A 1 ATOM 236 C CA . ALA A 0 30 . -27.603 12.221 23.461 1.00 65.17 30 A 1 ATOM 237 C C . ALA A 0 30 . -28.082 11.596 24.785 1.00 65.17 30 A 1 ATOM 238 C CB . ALA A 0 30 . -28.772 12.708 22.597 1.00 65.17 30 A 1 ATOM 239 O O . ALA A 0 30 . -28.570 10.459 24.778 1.00 65.17 30 A 1 ATOM 240 N N . PRO A 0 31 . -27.916 12.285 25.924 1.00 63.65 31 A 1 ATOM 241 C CA . PRO A 0 31 . -28.313 11.747 27.210 1.00 63.65 31 A 1 ATOM 242 C C . PRO A 0 31 . -29.836 11.624 27.237 1.00 63.65 31 A 1 ATOM 243 C CB . PRO A 0 31 . -27.753 12.724 28.251 1.00 63.65 31 A 1 ATOM 244 O O . PRO A 0 31 . -30.552 12.606 27.406 1.00 63.65 31 A 1 ATOM 245 C CG . PRO A 0 31 . -27.672 14.052 27.496 1.00 63.65 31 A 1 ATOM 246 C CD . PRO A 0 31 . -27.359 13.621 26.066 1.00 63.65 31 A 1 ATOM 247 N N . THR A 0 32 . -30.350 10.406 27.083 1.00 62.73 32 A 1 ATOM 248 C CA . THR A 0 32 . -31.724 10.095 27.468 1.00 62.73 32 A 1 ATOM 249 C C . THR A 0 32 . -31.776 10.130 28.991 1.00 62.73 32 A 1 ATOM 250 C CB . THR A 0 32 . -32.183 8.732 26.922 1.00 62.73 32 A 1 ATOM 251 O O . THR A 0 32 . -31.484 9.132 29.650 1.00 62.73 32 A 1 ATOM 252 C CG2 . THR A 0 32 . -32.357 8.751 25.405 1.00 62.73 32 A 1 ATOM 253 O OG1 . THR A 0 32 . -31.244 7.731 27.247 1.00 62.73 32 A 1 ATOM 254 N N . SER A 0 33 . -32.082 11.290 29.567 1.00 63.22 33 A 1 ATOM 255 C CA . SER A 0 33 . -32.512 11.387 30.957 1.00 63.22 33 A 1 ATOM 256 C C . SER A 0 33 . -33.906 10.754 31.046 1.00 63.22 33 A 1 ATOM 257 C CB . SER A 0 33 . -32.509 12.852 31.426 1.00 63.22 33 A 1 ATOM 258 O O . SER A 0 33 . -34.848 11.272 30.443 1.00 63.22 33 A 1 ATOM 259 O OG . SER A 0 33 . -33.060 13.718 30.451 1.00 63.22 33 A 1 ATOM 260 N N . PRO A 0 34 . -34.090 9.610 31.732 1.00 64.89 34 A 1 ATOM 261 C CA . PRO A 0 34 . -35.436 9.128 31.983 1.00 64.89 34 A 1 ATOM 262 C C . PRO A 0 34 . -36.132 10.160 32.871 1.00 64.89 34 A 1 ATOM 263 C CB . PRO A 0 34 . -35.281 7.752 32.631 1.00 64.89 34 A 1 ATOM 264 O O . PRO A 0 34 . -35.688 10.440 33.984 1.00 64.89 34 A 1 ATOM 265 C CG . PRO A 0 34 . -33.911 7.828 33.305 1.00 64.89 34 A 1 ATOM 266 C CD . PRO A 0 34 . -33.109 8.767 32.403 1.00 64.89 34 A 1 ATOM 267 N N . ALA A 0 35 . -37.200 10.752 32.340 1.00 54.68 35 A 1 ATOM 268 C CA . ALA A 0 35 . -38.066 11.663 33.060 1.00 54.68 35 A 1 ATOM 269 C C . ALA A 0 35 . -38.548 11.003 34.361 1.00 54.68 35 A 1 ATOM 270 C CB . ALA A 0 35 . -39.220 12.069 32.139 1.00 54.68 35 A 1 ATOM 271 O O . ALA A 0 35 . -39.207 9.961 34.375 1.00 54.68 35 A 1 ATOM 272 N N . THR A 0 36 . -38.165 11.617 35.472 1.00 55.10 36 A 1 ATOM 273 C CA . THR A 0 36 . -38.502 11.228 36.834 1.00 55.10 36 A 1 ATOM 274 C C . THR A 0 36 . -39.976 11.514 37.112 1.00 55.10 36 A 1 ATOM 275 C CB . THR A 0 36 . -37.626 12.045 37.808 1.00 55.10 36 A 1 ATOM 276 O O . THR A 0 36 . -40.296 12.599 37.577 1.00 55.10 36 A 1 ATOM 277 C CG2 . THR A 0 36 . -37.633 11.478 39.226 1.00 55.10 36 A 1 ATOM 278 O OG1 . THR A 0 36 . -36.287 12.063 37.377 1.00 55.10 36 A 1 ATOM 279 N N . THR A 0 37 . -40.896 10.574 36.890 1.00 57.24 37 A 1 ATOM 280 C CA . THR A 0 37 . -42.268 10.709 37.425 1.00 57.24 37 A 1 ATOM 281 C C . THR A 0 37 . -42.875 9.355 37.789 1.00 57.24 37 A 1 ATOM 282 C CB . THR A 0 37 . -43.225 11.500 36.504 1.00 57.24 37 A 1 ATOM 283 O O . THR A 0 37 . -43.839 8.905 37.176 1.00 57.24 37 A 1 ATOM 284 C CG2 . THR A 0 37 . -42.830 12.943 36.197 1.00 57.24 37 A 1 ATOM 285 O OG1 . THR A 0 37 . -43.374 10.847 35.272 1.00 57.24 37 A 1 ATOM 286 N N . MET A 0 38 . -42.340 8.674 38.803 1.00 65.67 38 A 1 ATOM 287 C CA . MET A 0 38 . -43.087 7.586 39.442 1.00 65.67 38 A 1 ATOM 288 C C . MET A 0 38 . -43.795 8.135 40.678 1.00 65.67 38 A 1 ATOM 289 C CB . MET A 0 38 . -42.214 6.353 39.679 1.00 65.67 38 A 1 ATOM 290 O O . MET A 0 38 . -43.177 8.572 41.646 1.00 65.67 38 A 1 ATOM 291 C CG . MET A 0 38 . -41.930 5.641 38.342 1.00 65.67 38 A 1 ATOM 292 S SD . MET A 0 38 . -42.719 4.020 38.145 1.00 65.67 38 A 1 ATOM 293 C CE . MET A 0 38 . -41.710 3.054 39.300 1.00 65.67 38 A 1 ATOM 294 N N . SER A 0 39 . -45.122 8.155 40.558 1.00 59.69 39 A 1 ATOM 295 C CA . SER A 0 39 . -46.136 8.585 41.517 1.00 59.69 39 A 1 ATOM 296 C C . SER A 0 39 . -45.796 8.240 42.968 1.00 59.69 39 A 1 ATOM 297 C CB . SER A 0 39 . -47.443 7.870 41.145 1.00 59.69 39 A 1 ATOM 298 O O . SER A 0 39 . -45.424 7.102 43.259 1.00 59.69 39 A 1 ATOM 299 O OG . SER A 0 39 . -47.228 6.467 41.139 1.00 59.69 39 A 1 ATOM 300 N N . LYS A 0 40 . -46.029 9.197 43.877 1.00 63.69 40 A 1 ATOM 301 C CA . LYS A 0 40 . -46.078 9.012 45.336 1.00 63.69 40 A 1 ATOM 302 C C . LYS A 0 40 . -46.996 7.835 45.691 1.00 63.69 40 A 1 ATOM 303 C CB . LYS A 0 40 . -46.630 10.296 46.001 1.00 63.69 40 A 1 ATOM 304 O O . LYS A 0 40 . -48.177 8.025 45.955 1.00 63.69 40 A 1 ATOM 305 C CG . LYS A 0 40 . -45.657 11.478 46.107 1.00 63.69 40 A 1 ATOM 306 C CD . LYS A 0 40 . -46.408 12.726 46.611 1.00 63.69 40 A 1 ATOM 307 C CE . LYS A 0 40 . -45.456 13.913 46.824 1.00 63.69 40 A 1 ATOM 308 N NZ . LYS A 0 40 . -46.189 15.186 47.066 1.00 63.69 40 A 1 ATOM 309 N N . ARG A 0 41 . -46.465 6.617 45.742 1.00 68.51 41 A 1 ATOM 310 C CA . ARG A 0 41 . -47.105 5.506 46.442 1.00 68.51 41 A 1 ATOM 311 C C . ARG A 0 41 . -46.134 4.982 47.476 1.00 68.51 41 A 1 ATOM 312 C CB . ARG A 0 41 . -47.681 4.453 45.486 1.00 68.51 41 A 1 ATOM 313 O O . ARG A 0 41 . -45.065 4.464 47.177 1.00 68.51 41 A 1 ATOM 314 C CG . ARG A 0 41 . -48.927 5.023 44.777 1.00 68.51 41 A 1 ATOM 315 C CD . ARG A 0 41 . -49.835 3.939 44.191 1.00 68.51 41 A 1 ATOM 316 N NE . ARG A 0 41 . -49.201 3.220 43.073 1.00 68.51 41 A 1 ATOM 317 N NH1 . ARG A 0 41 . -50.865 1.663 42.764 1.00 68.51 41 A 1 ATOM 318 N NH2 . ARG A 0 41 . -49.066 1.634 41.446 1.00 68.51 41 A 1 ATOM 319 C CZ . ARG A 0 41 . -49.712 2.179 42.438 1.00 68.51 41 A 1 ATOM 320 N N . LYS A 0 42 . -46.511 5.244 48.721 1.00 62.27 42 A 1 ATOM 321 C CA . LYS A 0 42 . -45.860 4.778 49.931 1.00 62.27 42 A 1 ATOM 322 C C . LYS A 0 42 . -46.021 3.257 49.981 1.00 62.27 42 A 1 ATOM 323 C CB . LYS A 0 42 . -46.557 5.455 51.131 1.00 62.27 42 A 1 ATOM 324 O O . LYS A 0 42 . -47.087 2.768 50.321 1.00 62.27 42 A 1 ATOM 325 C CG . LYS A 0 42 . -46.431 6.990 51.191 1.00 62.27 42 A 1 ATOM 326 C CD . LYS A 0 42 . -45.035 7.444 51.636 1.00 62.27 42 A 1 ATOM 327 C CE . LYS A 0 42 . -45.000 8.969 51.803 1.00 62.27 42 A 1 ATOM 328 N NZ . LYS A 0 42 . -43.716 9.430 52.395 1.00 62.27 42 A 1 ATOM 329 N N . ALA A 0 43 . -44.970 2.525 49.650 1.00 64.91 43 A 1 ATOM 330 C CA . ALA A 0 43 . -44.768 1.171 50.141 1.00 64.91 43 A 1 ATOM 331 C C . ALA A 0 43 . -43.301 1.090 50.557 1.00 64.91 43 A 1 ATOM 332 C CB . ALA A 0 43 . -45.189 0.136 49.098 1.00 64.91 43 A 1 ATOM 333 O O . ALA A 0 43 . -42.384 1.188 49.747 1.00 64.91 43 A 1 ATOM 334 N N . LYS A 0 44 . -43.110 1.071 51.871 1.00 59.61 44 A 1 ATOM 335 C CA . LYS A 0 44 . -41.830 1.002 52.560 1.00 59.61 44 A 1 ATOM 336 C C . LYS A 0 44 . -41.279 -0.408 52.312 1.00 59.61 44 A 1 ATOM 337 C CB . LYS A 0 44 . -42.152 1.312 54.036 1.00 59.61 44 A 1 ATOM 338 O O . LYS A 0 44 . -41.775 -1.361 52.895 1.00 59.61 44 A 1 ATOM 339 C CG . LYS A 0 44 . -40.962 1.681 54.927 1.00 59.61 44 A 1 ATOM 340 C CD . LYS A 0 44 . -41.449 1.794 56.383 1.00 59.61 44 A 1 ATOM 341 C CE . LYS A 0 44 . -40.322 2.246 57.319 1.00 59.61 44 A 1 ATOM 342 N NZ . LYS A 0 44 . -40.693 2.093 58.751 1.00 59.61 44 A 1 ATOM 343 N N . GLY A 0 45 . -40.331 -0.533 51.391 1.00 61.54 45 A 1 ATOM 344 C CA . GLY A 0 45 . -39.724 -1.800 50.983 1.00 61.54 45 A 1 ATOM 345 C C . GLY A 0 45 . -38.347 -1.528 50.403 1.00 61.54 45 A 1 ATOM 346 O O . GLY A 0 45 . -38.140 -1.570 49.197 1.00 61.54 45 A 1 ATOM 347 N N . ASP A 0 46 . -37.454 -1.119 51.293 1.00 53.72 46 A 1 ATOM 348 C CA . ASP A 0 46 . -36.025 -0.973 51.076 1.00 53.72 46 A 1 ATOM 349 C C . ASP A 0 46 . -35.390 -2.368 50.969 1.00 53.72 46 A 1 ATOM 350 C CB . ASP A 0 46 . -35.496 -0.208 52.302 1.00 53.72 46 A 1 ATOM 351 O O . ASP A 0 46 . -35.553 -3.161 51.891 1.00 53.72 46 A 1 ATOM 352 C CG . ASP A 0 46 . -33.993 0.041 52.242 1.00 53.72 46 A 1 ATOM 353 O OD1 . ASP A 0 46 . -33.283 -0.389 53.173 1.00 53.72 46 A 1 ATOM 354 O OD2 . ASP A 0 46 . -33.575 0.677 51.249 1.00 53.72 46 A 1 ATOM 355 N N . ALA A 0 47 . -34.731 -2.682 49.848 1.00 63.49 47 A 1 ATOM 356 C CA . ALA A 0 47 . -33.549 -3.553 49.790 1.00 63.49 47 A 1 ATOM 357 C C . ALA A 0 47 . -33.108 -3.783 48.333 1.00 63.49 47 A 1 ATOM 358 C CB . ALA A 0 47 . -33.752 -4.914 50.472 1.00 63.49 47 A 1 ATOM 359 O O . ALA A 0 47 . -33.736 -4.504 47.564 1.00 63.49 47 A 1 ATOM 360 N N . LYS A 0 48 . -31.991 -3.134 47.992 1.00 64.22 48 A 1 ATOM 361 C CA . LYS A 0 48 . -30.897 -3.608 47.126 1.00 64.22 48 A 1 ATOM 362 C C . LYS A 0 48 . -31.276 -4.534 45.964 1.00 64.22 48 A 1 ATOM 363 C CB . LYS A 0 48 . -29.853 -4.278 48.035 1.00 64.22 48 A 1 ATOM 364 O O . LYS A 0 48 . -31.416 -5.743 46.104 1.00 64.22 48 A 1 ATOM 365 C CG . LYS A 0 48 . -29.118 -3.284 48.951 1.00 64.22 48 A 1 ATOM 366 C CD . LYS A 0 48 . -28.047 -2.486 48.195 1.00 64.22 48 A 1 ATOM 367 C CE . LYS A 0 48 . -27.281 -1.602 49.183 1.00 64.22 48 A 1 ATOM 368 N NZ . LYS A 0 48 . -26.068 -1.012 48.564 1.00 64.22 48 A 1 ATOM 369 N N . GLY A 0 49 . -31.301 -3.940 44.774 1.00 57.34 49 A 1 ATOM 370 C CA . GLY A 0 49 . -31.295 -4.687 43.530 1.00 57.34 49 A 1 ATOM 371 C C . GLY A 0 49 . -30.059 -5.569 43.395 1.00 57.34 49 A 1 ATOM 372 O O . GLY A 0 49 . -28.942 -5.113 43.613 1.00 57.34 49 A 1 ATOM 373 N N . ASP A 0 50 . -30.280 -6.788 42.927 1.00 63.19 50 A 1 ATOM 374 C CA . ASP A 0 50 . -29.271 -7.532 42.196 1.00 63.19 50 A 1 ATOM 375 C C . ASP A 0 50 . -29.806 -7.784 40.786 1.00 63.19 50 A 1 ATOM 376 C CB . ASP A 0 50 . -28.816 -8.781 42.960 1.00 63.19 50 A 1 ATOM 377 O O . ASP A 0 50 . -30.343 -8.831 40.443 1.00 63.19 50 A 1 ATOM 378 C CG . ASP A 0 50 . -27.517 -9.317 42.352 1.00 63.19 50 A 1 ATOM 379 O OD1 . ASP A 0 50 . -26.686 -8.468 41.954 1.00 63.19 50 A 1 ATOM 380 O OD2 . ASP A 0 50 . -27.383 -10.550 42.216 1.00 63.19 50 A 1 ATOM 381 N N . LYS A 0 51 . -29.739 -6.740 39.954 1.00 65.86 51 A 1 ATOM 382 C CA . LYS A 0 51 . -29.830 -6.907 38.503 1.00 65.86 51 A 1 ATOM 383 C C . LYS A 0 51 . -28.446 -7.328 38.035 1.00 65.86 51 A 1 ATOM 384 C CB . LYS A 0 51 . -30.349 -5.642 37.799 1.00 65.86 51 A 1 ATOM 385 O O . LYS A 0 51 . -27.732 -6.542 37.410 1.00 65.86 51 A 1 ATOM 386 C CG . LYS A 0 51 . -31.844 -5.407 38.047 1.00 65.86 51 A 1 ATOM 387 C CD . LYS A 0 51 . -32.328 -4.171 37.277 1.00 65.86 51 A 1 ATOM 388 C CE . LYS A 0 51 . -33.814 -3.933 37.565 1.00 65.86 51 A 1 ATOM 389 N NZ . LYS A 0 51 . -34.329 -2.723 36.876 1.00 65.86 51 A 1 ATOM 390 N N . THR A 0 52 . -28.066 -8.563 38.338 1.00 69.62 52 A 1 ATOM 391 C CA . THR A 0 52 . -26.984 -9.238 37.631 1.00 69.62 52 A 1 ATOM 392 C C . THR A 0 52 . -27.430 -9.378 36.183 1.00 69.62 52 A 1 ATOM 393 C CB . THR A 0 52 . -26.611 -10.588 38.267 1.00 69.62 52 A 1 ATOM 394 O O . THR A 0 52 . -28.107 -10.310 35.761 1.00 69.62 52 A 1 ATOM 395 C CG2 . THR A 0 52 . -25.552 -10.402 39.343 1.00 69.62 52 A 1 ATOM 396 O OG1 . THR A 0 52 . -27.724 -11.201 38.860 1.00 69.62 52 A 1 ATOM 397 N N . LYS A 0 53 . -27.078 -8.372 35.383 1.00 69.46 53 A 1 ATOM 398 C CA . LYS A 0 53 . -27.073 -8.462 33.932 1.00 69.46 53 A 1 ATOM 399 C C . LYS A 0 53 . -25.945 -9.427 33.603 1.00 69.46 53 A 1 ATOM 400 C CB . LYS A 0 53 . -26.926 -7.043 33.356 1.00 69.46 53 A 1 ATOM 401 O O . LYS A 0 53 . -24.832 -8.994 33.310 1.00 69.46 53 A 1 ATOM 402 C CG . LYS A 0 53 . -27.242 -6.935 31.857 1.00 69.46 53 A 1 ATOM 403 C CD . LYS A 0 53 . -27.320 -5.449 31.469 1.00 69.46 53 A 1 ATOM 404 C CE . LYS A 0 53 . -27.721 -5.267 30.002 1.00 69.46 53 A 1 ATOM 405 N NZ . LYS A 0 53 . -27.937 -3.833 29.672 1.00 69.46 53 A 1 ATOM 406 N N . VAL A 0 54 . -26.216 -10.727 33.730 1.00 66.68 54 A 1 ATOM 407 C CA . VAL A 0 54 . -25.326 -11.774 33.242 1.00 66.68 54 A 1 ATOM 408 C C . VAL A 0 54 . -25.301 -11.590 31.739 1.00 66.68 54 A 1 ATOM 409 C CB . VAL A 0 54 . -25.729 -13.192 33.677 1.00 66.68 54 A 1 ATOM 410 O O . VAL A 0 54 . -26.180 -11.994 30.983 1.00 66.68 54 A 1 ATOM 411 C CG1 . VAL A 0 54 . -24.734 -14.219 33.123 1.00 66.68 54 A 1 ATOM 412 C CG2 . VAL A 0 54 . -25.712 -13.302 35.206 1.00 66.68 54 A 1 ATOM 413 N N . LYS A 0 55 . -24.304 -10.823 31.326 1.00 70.18 55 A 1 ATOM 414 C CA . LYS A 0 55 . -23.872 -10.668 29.958 1.00 70.18 55 A 1 ATOM 415 C C . LYS A 0 55 . -23.159 -11.978 29.667 1.00 70.18 55 A 1 ATOM 416 C CB . LYS A 0 55 . -22.999 -9.400 29.909 1.00 70.18 55 A 1 ATOM 417 O O . LYS A 0 55 . -21.934 -12.016 29.680 1.00 70.18 55 A 1 ATOM 418 C CG . LYS A 0 55 . -22.999 -8.664 28.566 1.00 70.18 55 A 1 ATOM 419 C CD . LYS A 0 55 . -22.083 -7.437 28.708 1.00 70.18 55 A 1 ATOM 420 C CE . LYS A 0 55 . -22.282 -6.411 27.590 1.00 70.18 55 A 1 ATOM 421 N NZ . LYS A 0 55 . -21.448 -5.205 27.835 1.00 70.18 55 A 1 ATOM 422 N N . ASP A 0 56 . -23.930 -13.049 29.503 1.00 64.38 56 A 1 ATOM 423 C CA . ASP A 0 56 . -23.390 -14.296 28.998 1.00 64.38 56 A 1 ATOM 424 C C . ASP A 0 56 . -22.951 -14.029 27.556 1.00 64.38 56 A 1 ATOM 425 C CB . ASP A 0 56 . -24.365 -15.468 29.143 1.00 64.38 56 A 1 ATOM 426 O O . ASP A 0 56 . -23.716 -13.995 26.596 1.00 64.38 56 A 1 ATOM 427 C CG . ASP A 0 56 . -23.628 -16.750 28.753 1.00 64.38 56 A 1 ATOM 428 O OD1 . ASP A 0 56 . -22.573 -16.998 29.380 1.00 64.38 56 A 1 ATOM 429 O OD2 . ASP A 0 56 . -24.056 -17.389 27.773 1.00 64.38 56 A 1 ATOM 430 N N . LYS A 0 57 . -21.697 -13.613 27.447 1.00 60.07 57 A 1 ATOM 431 C CA . LYS A 0 57 . -20.888 -13.685 26.250 1.00 60.07 57 A 1 ATOM 432 C C . LYS A 0 57 . -19.765 -14.602 26.686 1.00 60.07 57 A 1 ATOM 433 C CB . LYS A 0 57 . -20.372 -12.297 25.836 1.00 60.07 57 A 1 ATOM 434 O O . LYS A 0 57 . -18.849 -14.130 27.362 1.00 60.07 57 A 1 ATOM 435 C CG . LYS A 0 57 . -21.471 -11.354 25.335 1.00 60.07 57 A 1 ATOM 436 C CD . LYS A 0 57 . -20.835 -10.097 24.724 1.00 60.07 57 A 1 ATOM 437 C CE . LYS A 0 57 . -21.920 -9.190 24.137 1.00 60.07 57 A 1 ATOM 438 N NZ . LYS A 0 57 . -21.363 -8.248 23.131 1.00 60.07 57 A 1 ATOM 439 N N . PRO A 0 58 . -19.824 -15.885 26.322 1.00 58.91 58 A 1 ATOM 440 C CA . PRO A 0 58 . -18.915 -16.265 25.257 1.00 58.91 58 A 1 ATOM 441 C C . PRO A 0 58 . -19.394 -17.506 24.496 1.00 58.91 58 A 1 ATOM 442 C CB . PRO A 0 58 . -17.609 -16.582 26.000 1.00 58.91 58 A 1 ATOM 443 O O . PRO A 0 58 . -19.108 -18.628 24.892 1.00 58.91 58 A 1 ATOM 444 C CG . PRO A 0 58 . -18.098 -17.195 27.323 1.00 58.91 58 A 1 ATOM 445 C CD . PRO A 0 58 . -19.596 -16.869 27.374 1.00 58.91 58 A 1 ATOM 446 N N . GLN A 0 59 . -19.924 -17.328 23.294 1.00 67.25 59 A 1 ATOM 447 C CA . GLN A 0 59 . -19.607 -18.308 22.264 1.00 67.25 59 A 1 ATOM 448 C C . GLN A 0 59 . -18.968 -17.549 21.124 1.00 67.25 59 A 1 ATOM 449 C CB . GLN A 0 59 . -20.792 -19.226 21.949 1.00 67.25 59 A 1 ATOM 450 O O . GLN A 0 59 . -19.618 -17.014 20.228 1.00 67.25 59 A 1 ATOM 451 C CG . GLN A 0 59 . -20.282 -20.569 21.388 1.00 67.25 59 A 1 ATOM 452 C CD . GLN A 0 59 . -21.355 -21.652 21.347 1.00 67.25 59 A 1 ATOM 453 N NE2 . GLN A 0 59 . -21.147 -22.716 20.604 1.00 67.25 59 A 1 ATOM 454 O OE1 . GLN A 0 59 . -22.391 -21.571 21.981 1.00 67.25 59 A 1 ATOM 455 N N . ARG A 0 60 . -17.643 -17.390 21.248 1.00 64.39 60 A 1 ATOM 456 C CA . ARG A 0 60 . -16.806 -17.036 20.106 1.00 64.39 60 A 1 ATOM 457 C C . ARG A 0 60 . -17.228 -18.016 19.010 1.00 64.39 60 A 1 ATOM 458 C CB . ARG A 0 60 . -15.317 -17.201 20.447 1.00 64.39 60 A 1 ATOM 459 O O . ARG A 0 60 . -17.162 -19.214 19.278 1.00 64.39 60 A 1 ATOM 460 C CG . ARG A 0 60 . -14.851 -16.177 21.491 1.00 64.39 60 A 1 ATOM 461 C CD . ARG A 0 60 . -13.349 -16.329 21.759 1.00 64.39 60 A 1 ATOM 462 N NE . ARG A 0 60 . -12.849 -15.259 22.649 1.00 64.39 60 A 1 ATOM 463 N NH1 . ARG A 0 60 . -12.305 -16.539 24.488 1.00 64.39 60 A 1 ATOM 464 N NH2 . ARG A 0 60 . -11.936 -14.344 24.523 1.00 64.39 60 A 1 ATOM 465 C CZ . ARG A 0 60 . -12.369 -15.390 23.876 1.00 64.39 60 A 1 ATOM 466 N N . PRO A 0 61 . -17.741 -17.536 17.866 1.00 63.27 61 A 1 ATOM 467 C CA . PRO A 0 61 . -18.203 -18.427 16.818 1.00 63.27 61 A 1 ATOM 468 C C . PRO A 0 61 . -17.061 -19.377 16.509 1.00 63.27 61 A 1 ATOM 469 C CB . PRO A 0 61 . -18.568 -17.530 15.630 1.00 63.27 61 A 1 ATOM 470 O O . PRO A 0 61 . -15.911 -18.927 16.525 1.00 63.27 61 A 1 ATOM 471 C CG . PRO A 0 61 . -17.762 -16.255 15.879 1.00 63.27 61 A 1 ATOM 472 C CD . PRO A 0 61 . -17.719 -16.163 17.400 1.00 63.27 61 A 1 ATOM 473 N N . GLU A 0 62 . -17.395 -20.648 16.291 1.00 65.80 62 A 1 ATOM 474 C CA . GLU A 0 62 . -16.558 -21.672 15.678 1.00 65.80 62 A 1 ATOM 475 C C . GLU A 0 62 . -15.849 -21.009 14.488 1.00 65.80 62 A 1 ATOM 476 C CB . GLU A 0 62 . -17.477 -22.840 15.232 1.00 65.80 62 A 1 ATOM 477 O O . GLU A 0 62 . -16.374 -20.932 13.377 1.00 65.80 62 A 1 ATOM 478 C CG . GLU A 0 62 . -16.887 -24.238 15.466 1.00 65.80 62 A 1 ATOM 479 C CD . GLU A 0 62 . -17.060 -24.757 16.903 1.00 65.80 62 A 1 ATOM 480 O OE1 . GLU A 0 62 . -16.351 -25.733 17.230 1.00 65.80 62 A 1 ATOM 481 O OE2 . GLU A 0 62 . -17.857 -24.159 17.664 1.00 65.80 62 A 1 ATOM 482 N N . ARG A 0 63 . -14.706 -20.357 14.734 1.00 61.50 63 A 1 ATOM 483 C CA . ARG A 0 63 . -13.942 -19.663 13.707 1.00 61.50 63 A 1 ATOM 484 C C . ARG A 0 63 . -13.232 -20.795 13.035 1.00 61.50 63 A 1 ATOM 485 C CB . ARG A 0 63 . -13.005 -18.577 14.251 1.00 61.50 63 A 1 ATOM 486 O O . ARG A 0 63 . -12.145 -21.185 13.448 1.00 61.50 63 A 1 ATOM 487 C CG . ARG A 0 63 . -13.732 -17.235 14.398 1.00 61.50 63 A 1 ATOM 488 C CD . ARG A 0 63 . -12.725 -16.128 14.720 1.00 61.50 63 A 1 ATOM 489 N NE . ARG A 0 63 . -13.368 -14.801 14.737 1.00 61.50 63 A 1 ATOM 490 N NH1 . ARG A 0 63 . -11.450 -13.558 14.950 1.00 61.50 63 A 1 ATOM 491 N NH2 . ARG A 0 63 . -13.423 -12.524 14.790 1.00 61.50 63 A 1 ATOM 492 C CZ . ARG A 0 63 . -12.747 -13.638 14.827 1.00 61.50 63 A 1 ATOM 493 N N . LEU A 0 64 . -13.995 -21.368 12.111 1.00 63.54 64 A 1 ATOM 494 C CA . LEU A 0 64 . -13.658 -22.378 11.148 1.00 63.54 64 A 1 ATOM 495 C C . LEU A 0 64 . -12.150 -22.450 11.052 1.00 63.54 64 A 1 ATOM 496 C CB . LEU A 0 64 . -14.314 -21.987 9.814 1.00 63.54 64 A 1 ATOM 497 O O . LEU A 0 64 . -11.488 -21.494 10.647 1.00 63.54 64 A 1 ATOM 498 C CG . LEU A 0 64 . -15.855 -22.034 9.857 1.00 63.54 64 A 1 ATOM 499 C CD1 . LEU A 0 64 . -16.428 -21.333 8.629 1.00 63.54 64 A 1 ATOM 500 C CD2 . LEU A 0 64 . -16.370 -23.473 9.893 1.00 63.54 64 A 1 ATOM 501 N N . SER A 0 65 . -11.657 -23.606 11.469 1.00 66.72 65 A 1 ATOM 502 C CA . SER A 0 65 . -10.274 -24.071 11.462 1.00 66.72 65 A 1 ATOM 503 C C . SER A 0 65 . -9.611 -24.032 10.069 1.00 66.72 65 A 1 ATOM 504 C CB . SER A 0 65 . -10.324 -25.492 12.032 1.00 66.72 65 A 1 ATOM 505 O O . SER A 0 65 . -8.585 -24.665 9.827 1.00 66.72 65 A 1 ATOM 506 O OG . SER A 0 65 . -9.051 -25.979 12.372 1.00 66.72 65 A 1 ATOM 507 N N . ALA A 0 66 . -10.164 -23.271 9.123 1.00 65.59 66 A 1 ATOM 508 C CA . ALA A 0 66 . -9.480 -22.814 7.937 1.00 65.59 66 A 1 ATOM 509 C C . ALA A 0 66 . -8.344 -21.891 8.385 1.00 65.59 66 A 1 ATOM 510 C CB . ALA A 0 66 . -10.497 -22.134 7.012 1.00 65.59 66 A 1 ATOM 511 O O . ALA A 0 66 . -8.482 -20.669 8.467 1.00 65.59 66 A 1 ATOM 512 N N . LYS A 0 67 . -7.202 -22.512 8.702 1.00 70.88 67 A 1 ATOM 513 C CA . LYS A 0 67 . -5.902 -21.847 8.716 1.00 70.88 67 A 1 ATOM 514 C C . LYS A 0 67 . -5.873 -20.929 7.492 1.00 70.88 67 A 1 ATOM 515 C CB . LYS A 0 67 . -4.779 -22.890 8.624 1.00 70.88 67 A 1 ATOM 516 O O . LYS A 0 67 . -6.068 -21.435 6.382 1.00 70.88 67 A 1 ATOM 517 C CG . LYS A 0 67 . -4.489 -23.523 9.990 1.00 70.88 67 A 1 ATOM 518 C CD . LYS A 0 67 . -3.709 -24.833 9.835 1.00 70.88 67 A 1 ATOM 519 C CE . LYS A 0 67 . -3.285 -25.352 11.213 1.00 70.88 67 A 1 ATOM 520 N NZ . LYS A 0 67 . -2.799 -26.753 11.149 1.00 70.88 67 A 1 ATOM 521 N N . PRO A 0 68 . -5.706 -19.608 7.671 1.00 71.88 68 A 1 ATOM 522 C CA . PRO A 0 68 . -5.591 -18.716 6.532 1.00 71.88 68 A 1 ATOM 523 C C . PRO A 0 68 . -4.494 -19.265 5.625 1.00 71.88 68 A 1 ATOM 524 C CB . PRO A 0 68 . -5.277 -17.332 7.107 1.00 71.88 68 A 1 ATOM 525 O O . PRO A 0 68 . -3.465 -19.743 6.113 1.00 71.88 68 A 1 ATOM 526 C CG . PRO A 0 68 . -4.705 -17.629 8.492 1.00 71.88 68 A 1 ATOM 527 C CD . PRO A 0 68 . -5.422 -18.907 8.911 1.00 71.88 68 A 1 ATOM 528 N N . ALA A 0 69 . -4.754 -19.270 4.317 1.00 74.66 69 A 1 ATOM 529 C CA . ALA A 0 69 . -3.782 -19.765 3.358 1.00 74.66 69 A 1 ATOM 530 C C . ALA A 0 69 . -2.441 -19.049 3.602 1.00 74.66 69 A 1 ATOM 531 C CB . ALA A 0 69 . -4.305 -19.551 1.934 1.00 74.66 69 A 1 ATOM 532 O O . ALA A 0 69 . -2.448 -17.832 3.830 1.00 74.66 69 A 1 ATOM 533 N N . PRO A 0 70 . -1.311 -19.778 3.601 1.00 74.21 70 A 1 ATOM 534 C CA . PRO A 0 70 . -0.010 -19.170 3.812 1.00 74.21 70 A 1 ATOM 535 C C . PRO A 0 70 . 0.170 -18.020 2.811 1.00 74.21 70 A 1 ATOM 536 C CB . PRO A 0 70 . 1.023 -20.290 3.649 1.00 74.21 70 A 1 ATOM 537 O O . PRO A 0 70 . -0.220 -18.165 1.645 1.00 74.21 70 A 1 ATOM 538 C CG . PRO A 0 70 . 0.275 -21.378 2.877 1.00 74.21 70 A 1 ATOM 539 C CD . PRO A 0 70 . -1.179 -21.189 3.292 1.00 74.21 70 A 1 ATOM 540 N N . PRO A 0 71 . 0.689 -16.860 3.258 1.00 71.76 71 A 1 ATOM 541 C CA . PRO A 0 71 . 0.877 -15.714 2.384 1.00 71.76 71 A 1 ATOM 542 C C . PRO A 0 71 . 1.666 -16.148 1.150 1.00 71.76 71 A 1 ATOM 543 C CB . PRO A 0 71 . 1.589 -14.645 3.221 1.00 71.76 71 A 1 ATOM 544 O O . PRO A 0 71 . 2.585 -16.966 1.243 1.00 71.76 71 A 1 ATOM 545 C CG . PRO A 0 71 . 2.212 -15.430 4.374 1.00 71.76 71 A 1 ATOM 546 C CD . PRO A 0 71 . 1.258 -16.604 4.569 1.00 71.76 71 A 1 ATOM 547 N N . LYS A 0 72 . 1.248 -15.646 -0.019 1.00 73.73 72 A 1 ATOM 548 C CA . LYS A 0 72 . 1.877 -15.987 -1.298 1.00 73.73 72 A 1 ATOM 549 C C . LYS A 0 72 . 3.391 -15.769 -1.156 1.00 73.73 72 A 1 ATOM 550 C CB . LYS A 0 72 . 1.325 -15.118 -2.438 1.00 73.73 72 A 1 ATOM 551 O O . LYS A 0 72 . 3.765 -14.689 -0.699 1.00 73.73 72 A 1 ATOM 552 C CG . LYS A 0 72 . -0.162 -15.370 -2.736 1.00 73.73 72 A 1 ATOM 553 C CD . LYS A 0 72 . -0.593 -14.561 -3.970 1.00 73.73 72 A 1 ATOM 554 C CE . LYS A 0 72 . -2.045 -14.831 -4.391 1.00 73.73 72 A 1 ATOM 555 N NZ . LYS A 0 72 . -3.026 -14.072 -3.575 1.00 73.73 72 A 1 ATOM 556 N N . PRO A 0 73 . 4.239 -16.753 -1.507 1.00 73.09 73 A 1 ATOM 557 C CA . PRO A 0 73 . 5.679 -16.600 -1.377 1.00 73.09 73 A 1 ATOM 558 C C . PRO A 0 73 . 6.110 -15.357 -2.148 1.00 73.09 73 A 1 ATOM 559 C CB . PRO A 0 73 . 6.299 -17.897 -1.911 1.00 73.09 73 A 1 ATOM 560 O O . PRO A 0 73 . 5.799 -15.221 -3.336 1.00 73.09 73 A 1 ATOM 561 C CG . PRO A 0 73 . 5.195 -18.516 -2.769 1.00 73.09 73 A 1 ATOM 562 C CD . PRO A 0 73 . 3.908 -18.030 -2.110 1.00 73.09 73 A 1 ATOM 563 N N . GLU A 0 74 . 6.764 -14.429 -1.449 1.00 71.92 74 A 1 ATOM 564 C CA . GLU A 0 74 . 7.308 -13.238 -2.082 1.00 71.92 74 A 1 ATOM 565 C C . GLU A 0 74 . 8.242 -13.677 -3.216 1.00 71.92 74 A 1 ATOM 566 C CB . GLU A 0 74 . 8.037 -12.334 -1.081 1.00 71.92 74 A 1 ATOM 567 O O . GLU A 0 74 . 9.008 -14.634 -3.047 1.00 71.92 74 A 1 ATOM 568 C CG . GLU A 0 74 . 7.048 -11.613 -0.156 1.00 71.92 74 A 1 ATOM 569 C CD . GLU A 0 74 . 7.761 -10.592 0.737 1.00 71.92 74 A 1 ATOM 570 O OE1 . GLU A 0 74 . 7.328 -9.419 0.729 1.00 71.92 74 A 1 ATOM 571 O OE2 . GLU A 0 74 . 8.732 -11.001 1.412 1.00 71.92 74 A 1 ATOM 572 N N . PRO A 0 75 . 8.143 -13.044 -4.396 1.00 68.71 75 A 1 ATOM 573 C CA . PRO A 0 75 . 8.885 -13.449 -5.574 1.00 68.71 75 A 1 ATOM 574 C C . PRO A 0 75 . 10.374 -13.307 -5.283 1.00 68.71 75 A 1 ATOM 575 C CB . PRO A 0 75 . 8.385 -12.547 -6.709 1.00 68.71 75 A 1 ATOM 576 O O . PRO A 0 75 . 10.934 -12.212 -5.327 1.00 68.71 75 A 1 ATOM 577 C CG . PRO A 0 75 . 7.833 -11.317 -5.989 1.00 68.71 75 A 1 ATOM 578 C CD . PRO A 0 75 . 7.322 -11.880 -4.671 1.00 68.71 75 A 1 ATOM 579 N N . THR A 0 76 . 11.026 -14.428 -4.981 1.00 70.98 76 A 1 ATOM 580 C CA . THR A 0 76 . 12.477 -14.462 -4.889 1.00 70.98 76 A 1 ATOM 581 C C . THR A 0 76 . 13.018 -13.970 -6.230 1.00 70.98 76 A 1 ATOM 582 C CB . THR A 0 76 . 13.022 -15.850 -4.531 1.00 70.98 76 A 1 ATOM 583 O O . THR A 0 76 . 12.555 -14.437 -7.280 1.00 70.98 76 A 1 ATOM 584 C CG2 . THR A 0 76 . 12.737 -16.182 -3.068 1.00 70.98 76 A 1 ATOM 585 O OG1 . THR A 0 76 . 12.432 -16.871 -5.302 1.00 70.98 76 A 1 ATOM 586 N N . PRO A 0 77 . 13.938 -12.987 -6.237 1.00 69.26 77 A 1 ATOM 587 C CA . PRO A 0 77 . 14.494 -12.460 -7.467 1.00 69.26 77 A 1 ATOM 588 C C . PRO A 0 77 . 15.049 -13.627 -8.269 1.00 69.26 77 A 1 ATOM 589 C CB . PRO A 0 77 . 15.570 -11.447 -7.055 1.00 69.26 77 A 1 ATOM 590 O O . PRO A 0 77 . 16.032 -14.258 -7.873 1.00 69.26 77 A 1 ATOM 591 C CG . PRO A 0 77 . 15.121 -11.014 -5.663 1.00 69.26 77 A 1 ATOM 592 C CD . PRO A 0 77 . 14.461 -12.264 -5.092 1.00 69.26 77 A 1 ATOM 593 N N . LYS A 0 78 . 14.383 -13.951 -9.381 1.00 67.24 78 A 1 ATOM 594 C CA . LYS A 0 78 . 14.919 -14.866 -10.378 1.00 67.24 78 A 1 ATOM 595 C C . LYS A 0 78 . 16.262 -14.266 -10.743 1.00 67.24 78 A 1 ATOM 596 C CB . LYS A 0 78 . 13.990 -14.953 -11.601 1.00 67.24 78 A 1 ATOM 597 O O . LYS A 0 78 . 16.292 -13.198 -11.354 1.00 67.24 78 A 1 ATOM 598 C CG . LYS A 0 78 . 12.670 -15.670 -11.282 1.00 67.24 78 A 1 ATOM 599 C CD . LYS A 0 78 . 11.727 -15.644 -12.492 1.00 67.24 78 A 1 ATOM 600 C CE . LYS A 0 78 . 10.411 -16.348 -12.141 1.00 67.24 78 A 1 ATOM 601 N NZ . LYS A 0 78 . 9.406 -16.216 -13.226 1.00 67.24 78 A 1 ATOM 602 N N . LYS A 0 79 . 17.357 -14.891 -10.297 1.00 67.55 79 A 1 ATOM 603 C CA . LYS A 0 79 . 18.690 -14.531 -10.767 1.00 67.55 79 A 1 ATOM 604 C C . LYS A 0 79 . 18.573 -14.488 -12.282 1.00 67.55 79 A 1 ATOM 605 C CB . LYS A 0 79 . 19.749 -15.548 -10.314 1.00 67.55 79 A 1 ATOM 606 O O . LYS A 0 79 . 18.241 -15.502 -12.900 1.00 67.55 79 A 1 ATOM 607 C CG . LYS A 0 79 . 20.079 -15.433 -8.817 1.00 67.55 79 A 1 ATOM 608 C CD . LYS A 0 79 . 21.327 -16.265 -8.488 1.00 67.55 79 A 1 ATOM 609 C CE . LYS A 0 79 . 21.748 -16.086 -7.025 1.00 67.55 79 A 1 ATOM 610 N NZ . LYS A 0 79 . 23.067 -16.721 -6.771 1.00 67.55 79 A 1 ATOM 611 N N . ALA A 0 80 . 18.722 -13.293 -12.852 1.00 67.00 80 A 1 ATOM 612 C CA . ALA A 0 80 . 18.799 -13.153 -14.291 1.00 67.00 80 A 1 ATOM 613 C C . ALA A 0 80 . 19.880 -14.136 -14.752 1.00 67.00 80 A 1 ATOM 614 C CB . ALA A 0 80 . 19.129 -11.701 -14.649 1.00 67.00 80 A 1 ATOM 615 O O . ALA A 0 80 . 20.890 -14.257 -14.051 1.00 67.00 80 A 1 ATOM 616 N N . PRO A 0 81 . 19.655 -14.890 -15.840 1.00 64.35 81 A 1 ATOM 617 C CA . PRO A 0 81 . 20.598 -15.898 -16.279 1.00 64.35 81 A 1 ATOM 618 C C . PRO A 0 81 . 21.943 -15.208 -16.461 1.00 64.35 81 A 1 ATOM 619 C CB . PRO A 0 81 . 20.018 -16.483 -17.574 1.00 64.35 81 A 1 ATOM 620 O O . PRO A 0 81 . 22.119 -14.403 -17.377 1.00 64.35 81 A 1 ATOM 621 C CG . PRO A 0 81 . 19.069 -15.393 -18.076 1.00 64.35 81 A 1 ATOM 622 C CD . PRO A 0 81 . 18.568 -14.747 -16.788 1.00 64.35 81 A 1 ATOM 623 N N . GLU A 0 82 . 22.872 -15.493 -15.547 1.00 63.74 82 A 1 ATOM 624 C CA . GLU A 0 82 . 24.289 -15.272 -15.763 1.00 63.74 82 A 1 ATOM 625 C C . GLU A 0 82 . 24.548 -15.956 -17.092 1.00 63.74 82 A 1 ATOM 626 C CB . GLU A 0 82 . 25.118 -15.909 -14.636 1.00 63.74 82 A 1 ATOM 627 O O . GLU A 0 82 . 24.462 -17.182 -17.191 1.00 63.74 82 A 1 ATOM 628 C CG . GLU A 0 82 . 25.099 -15.055 -13.356 1.00 63.74 82 A 1 ATOM 629 C CD . GLU A 0 82 . 25.622 -15.793 -12.110 1.00 63.74 82 A 1 ATOM 630 O OE1 . GLU A 0 82 . 25.873 -15.106 -11.096 1.00 63.74 82 A 1 ATOM 631 O OE2 . GLU A 0 82 . 25.697 -17.045 -12.138 1.00 63.74 82 A 1 ATOM 632 N N . LYS A 0 83 . 24.709 -15.148 -18.143 1.00 62.54 83 A 1 ATOM 633 C CA . LYS A 0 83 . 25.056 -15.616 -19.474 1.00 62.54 83 A 1 ATOM 634 C C . LYS A 0 83 . 26.367 -16.363 -19.304 1.00 62.54 83 A 1 ATOM 635 C CB . LYS A 0 83 . 25.162 -14.441 -20.457 1.00 62.54 83 A 1 ATOM 636 O O . LYS A 0 83 . 27.443 -15.774 -19.234 1.00 62.54 83 A 1 ATOM 637 C CG . LYS A 0 83 . 23.785 -13.924 -20.901 1.00 62.54 83 A 1 ATOM 638 C CD . LYS A 0 83 . 23.956 -12.809 -21.942 1.00 62.54 83 A 1 ATOM 639 C CE . LYS A 0 83 . 22.600 -12.347 -22.484 1.00 62.54 83 A 1 ATOM 640 N NZ . LYS A 0 83 . 22.757 -11.231 -23.452 1.00 62.54 83 A 1 ATOM 641 N N . LYS A 0 84 . 26.239 -17.673 -19.114 1.00 62.25 84 A 1 ATOM 642 C CA . LYS A 0 84 . 27.342 -18.588 -18.937 1.00 62.25 84 A 1 ATOM 643 C C . LYS A 0 84 . 28.111 -18.585 -20.241 1.00 62.25 84 A 1 ATOM 644 C CB . LYS A 0 84 . 26.846 -19.997 -18.575 1.00 62.25 84 A 1 ATOM 645 O O . LYS A 0 84 . 27.652 -19.126 -21.236 1.00 62.25 84 A 1 ATOM 646 C CG . LYS A 0 84 . 26.351 -20.097 -17.124 1.00 62.25 84 A 1 ATOM 647 C CD . LYS A 0 84 . 26.337 -21.561 -16.661 1.00 62.25 84 A 1 ATOM 648 C CE . LYS A 0 84 . 25.919 -21.644 -15.189 1.00 62.25 84 A 1 ATOM 649 N NZ . LYS A 0 84 . 26.043 -23.026 -14.660 1.00 62.25 84 A 1 ATOM 650 N N . GLY A 0 85 . 29.295 -18.001 -20.174 1.00 57.98 85 A 1 ATOM 651 C CA . GLY A 0 85 . 30.444 -18.481 -20.912 1.00 57.98 85 A 1 ATOM 652 C C . GLY A 0 85 . 30.407 -18.224 -22.406 1.00 57.98 85 A 1 ATOM 653 O O . GLY A 0 85 . 30.272 -19.161 -23.185 1.00 57.98 85 A 1 ATOM 654 N N . GLU A 0 86 . 30.780 -17.012 -22.802 1.00 63.23 86 A 1 ATOM 655 C CA . GLU A 0 86 . 31.758 -16.937 -23.884 1.00 63.23 86 A 1 ATOM 656 C C . GLU A 0 86 . 33.123 -17.315 -23.285 1.00 63.23 86 A 1 ATOM 657 C CB . GLU A 0 86 . 31.716 -15.582 -24.589 1.00 63.23 86 A 1 ATOM 658 O O . GLU A 0 86 . 33.890 -16.500 -22.771 1.00 63.23 86 A 1 ATOM 659 C CG . GLU A 0 86 . 32.459 -15.679 -25.930 1.00 63.23 86 A 1 ATOM 660 C CD . GLU A 0 86 . 32.402 -14.360 -26.707 1.00 63.23 86 A 1 ATOM 661 O OE1 . GLU A 0 86 . 33.451 -13.986 -27.277 1.00 63.23 86 A 1 ATOM 662 O OE2 . GLU A 0 86 . 31.316 -13.736 -26.709 1.00 63.23 86 A 1 ATOM 663 N N . LYS A 0 87 . 33.377 -18.626 -23.237 1.00 60.56 87 A 1 ATOM 664 C CA . LYS A 0 87 . 34.722 -19.168 -23.061 1.00 60.56 87 A 1 ATOM 665 C C . LYS A 0 87 . 35.537 -18.728 -24.279 1.00 60.56 87 A 1 ATOM 666 C CB . LYS A 0 87 . 34.666 -20.711 -23.023 1.00 60.56 87 A 1 ATOM 667 O O . LYS A 0 87 . 35.302 -19.250 -25.357 1.00 60.56 87 A 1 ATOM 668 C CG . LYS A 0 87 . 34.511 -21.353 -21.638 1.00 60.56 87 A 1 ATOM 669 C CD . LYS A 0 87 . 34.431 -22.882 -21.809 1.00 60.56 87 A 1 ATOM 670 C CE . LYS A 0 87 . 34.626 -23.633 -20.486 1.00 60.56 87 A 1 ATOM 671 N NZ . LYS A 0 87 . 34.493 -25.102 -20.673 1.00 60.56 87 A 1 ATOM 672 N N . VAL A 0 88 . 36.485 -17.812 -24.096 1.00 62.95 88 A 1 ATOM 673 C CA . VAL A 0 88 . 37.929 -17.985 -24.375 1.00 62.95 88 A 1 ATOM 674 C C . VAL A 0 88 . 38.636 -16.651 -24.096 1.00 62.95 88 A 1 ATOM 675 C CB . VAL A 0 88 . 38.273 -18.507 -25.803 1.00 62.95 88 A 1 ATOM 676 O O . VAL A 0 88 . 38.717 -15.773 -24.950 1.00 62.95 88 A 1 ATOM 677 C CG1 . VAL A 0 88 . 39.769 -18.365 -26.160 1.00 62.95 88 A 1 ATOM 678 C CG2 . VAL A 0 88 . 37.987 -20.022 -25.941 1.00 62.95 88 A 1 ATOM 679 N N . PRO A 0 89 . 39.198 -16.483 -22.891 1.00 64.48 89 A 1 ATOM 680 C CA . PRO A 0 89 . 40.268 -15.530 -22.653 1.00 64.48 89 A 1 ATOM 681 C C . PRO A 0 89 . 41.639 -16.226 -22.682 1.00 64.48 89 A 1 ATOM 682 C CB . PRO A 0 89 . 39.924 -14.902 -21.304 1.00 64.48 89 A 1 ATOM 683 O O . PRO A 0 89 . 41.789 -17.350 -22.209 1.00 64.48 89 A 1 ATOM 684 C CG . PRO A 0 89 . 39.216 -16.031 -20.549 1.00 64.48 89 A 1 ATOM 685 C CD . PRO A 0 89 . 38.636 -16.946 -21.633 1.00 64.48 89 A 1 ATOM 686 N N . LYS A 0 90 . 42.647 -15.479 -23.158 1.00 64.50 90 A 1 ATOM 687 C CA . LYS A 0 90 . 44.099 -15.772 -23.200 1.00 64.50 90 A 1 ATOM 688 C C . LYS A 0 90 . 44.566 -16.692 -24.326 1.00 64.50 90 A 1 ATOM 689 C CB . LYS A 0 90 . 44.649 -16.218 -21.831 1.00 64.50 90 A 1 ATOM 690 O O . LYS A 0 90 . 45.014 -17.807 -24.091 1.00 64.50 90 A 1 ATOM 691 C CG . LYS A 0 90 . 44.642 -15.083 -20.808 1.00 64.50 90 A 1 ATOM 692 C CD . LYS A 0 90 . 45.044 -15.613 -19.429 1.00 64.50 90 A 1 ATOM 693 C CE . LYS A 0 90 . 45.192 -14.437 -18.459 1.00 64.50 90 A 1 ATOM 694 N NZ . LYS A 0 90 . 45.383 -14.898 -17.062 1.00 64.50 90 A 1 ATOM 695 N N . GLY A 0 91 . 44.560 -16.170 -25.552 1.00 59.71 91 A 1 ATOM 696 C CA . GLY A 0 91 . 44.997 -16.961 -26.698 1.00 59.71 91 A 1 ATOM 697 C C . GLY A 0 91 . 45.658 -16.251 -27.868 1.00 59.71 91 A 1 ATOM 698 O O . GLY A 0 91 . 45.781 -16.898 -28.895 1.00 59.71 91 A 1 ATOM 699 N N . ARG A 0 92 . 46.104 -14.989 -27.793 1.00 62.64 92 A 1 ATOM 700 C CA . ARG A 0 92 . 47.159 -14.527 -28.716 1.00 62.64 92 A 1 ATOM 701 C C . ARG A 0 92 . 47.826 -13.247 -28.238 1.00 62.64 92 A 1 ATOM 702 C CB . ARG A 0 92 . 46.657 -14.424 -30.180 1.00 62.64 92 A 1 ATOM 703 O O . ARG A 0 92 . 47.232 -12.178 -28.172 1.00 62.64 92 A 1 ATOM 704 C CG . ARG A 0 92 . 47.397 -15.431 -31.091 1.00 62.64 92 A 1 ATOM 705 C CD . ARG A 0 92 . 46.667 -15.656 -32.420 1.00 62.64 92 A 1 ATOM 706 N NE . ARG A 0 92 . 47.438 -16.544 -33.317 1.00 62.64 92 A 1 ATOM 707 N NH1 . ARG A 0 92 . 46.378 -15.989 -35.280 1.00 62.64 92 A 1 ATOM 708 N NH2 . ARG A 0 92 . 48.075 -17.430 -35.323 1.00 62.64 92 A 1 ATOM 709 C CZ . ARG A 0 92 . 47.294 -16.650 -34.629 1.00 62.64 92 A 1 ATOM 710 N N . LYS A 0 93 . 49.110 -13.403 -27.932 1.00 67.72 93 A 1 ATOM 711 C CA . LYS A 0 93 . 50.147 -12.383 -27.785 1.00 67.72 93 A 1 ATOM 712 C C . LYS A 0 93 . 50.308 -11.641 -29.121 1.00 67.72 93 A 1 ATOM 713 C CB . LYS A 0 93 . 51.401 -13.169 -27.339 1.00 67.72 93 A 1 ATOM 714 O O . LYS A 0 93 . 51.311 -11.790 -29.803 1.00 67.72 93 A 1 ATOM 715 C CG . LYS A 0 93 . 52.687 -12.389 -27.019 1.00 67.72 93 A 1 ATOM 716 C CD . LYS A 0 93 . 53.786 -13.412 -26.668 1.00 67.72 93 A 1 ATOM 717 C CE . LYS A 0 93 . 55.153 -12.765 -26.417 1.00 67.72 93 A 1 ATOM 718 N NZ . LYS A 0 93 . 56.197 -13.791 -26.141 1.00 67.72 93 A 1 ATOM 719 N N . GLY A 0 94 . 49.297 -10.882 -29.529 1.00 62.04 94 A 1 ATOM 720 C CA . GLY A 0 94 . 49.390 -9.947 -30.641 1.00 62.04 94 A 1 ATOM 721 C C . GLY A 0 94 . 50.080 -8.684 -30.154 1.00 62.04 94 A 1 ATOM 722 O O . GLY A 0 94 . 49.424 -7.687 -29.881 1.00 62.04 94 A 1 ATOM 723 N N . LYS A 0 95 . 51.406 -8.728 -29.990 1.00 66.44 95 A 1 ATOM 724 C CA . LYS A 0 95 . 52.210 -7.507 -29.880 1.00 66.44 95 A 1 ATOM 725 C C . LYS A 0 95 . 52.279 -6.856 -31.264 1.00 66.44 95 A 1 ATOM 726 C CB . LYS A 0 95 . 53.616 -7.784 -29.311 1.00 66.44 95 A 1 ATOM 727 O O . LYS A 0 95 . 53.315 -6.899 -31.907 1.00 66.44 95 A 1 ATOM 728 C CG . LYS A 0 95 . 53.636 -8.131 -27.813 1.00 66.44 95 A 1 ATOM 729 C CD . LYS A 0 95 . 54.967 -7.680 -27.185 1.00 66.44 95 A 1 ATOM 730 C CE . LYS A 0 95 . 55.034 -7.968 -25.679 1.00 66.44 95 A 1 ATOM 731 N NZ . LYS A 0 95 . 56.197 -7.289 -25.043 1.00 66.44 95 A 1 ATOM 732 N N . ALA A 0 96 . 51.182 -6.269 -31.727 1.00 63.96 96 A 1 ATOM 733 C CA . ALA A 0 96 . 51.249 -5.241 -32.752 1.00 63.96 96 A 1 ATOM 734 C C . ALA A 0 96 . 51.271 -3.909 -32.006 1.00 63.96 96 A 1 ATOM 735 C CB . ALA A 0 96 . 50.106 -5.408 -33.754 1.00 63.96 96 A 1 ATOM 736 O O . ALA A 0 96 . 50.245 -3.284 -31.756 1.00 63.96 96 A 1 ATOM 737 N N . ASN A 0 97 . 52.469 -3.528 -31.566 1.00 63.52 97 A 1 ATOM 738 C CA . ASN A 0 97 . 52.755 -2.166 -31.146 1.00 63.52 97 A 1 ATOM 739 C C . ASN A 0 97 . 52.837 -1.336 -32.436 1.00 63.52 97 A 1 ATOM 740 C CB . ASN A 0 97 . 54.029 -2.178 -30.273 1.00 63.52 97 A 1 ATOM 741 O O . ASN A 0 97 . 53.916 -0.970 -32.885 1.00 63.52 97 A 1 ATOM 742 C CG . ASN A 0 97 . 54.067 -1.046 -29.260 1.00 63.52 97 A 1 ATOM 743 N ND2 . ASN A 0 97 . 54.294 -1.353 -28.004 1.00 63.52 97 A 1 ATOM 744 O OD1 . ASN A 0 97 . 53.861 0.115 -29.548 1.00 63.52 97 A 1 ATOM 745 N N . ALA A 0 98 . 51.696 -1.149 -33.103 1.00 65.85 98 A 1 ATOM 746 C CA . ALA A 0 98 . 51.555 -0.090 -34.085 1.00 65.85 98 A 1 ATOM 747 C C . ALA A 0 98 . 51.506 1.187 -33.252 1.00 65.85 98 A 1 ATOM 748 C CB . ALA A 0 98 . 50.320 -0.335 -34.957 1.00 65.85 98 A 1 ATOM 749 O O . ALA A 0 98 . 50.456 1.584 -32.741 1.00 65.85 98 A 1 ATOM 750 N N . GLY A 0 99 . 52.704 1.695 -32.966 1.00 60.26 99 A 1 ATOM 751 C CA . GLY A 0 99 . 52.932 2.907 -32.215 1.00 60.26 99 A 1 ATOM 752 C C . GLY A 0 99 . 52.080 3.996 -32.824 1.00 60.26 99 A 1 ATOM 753 O O . GLY A 0 99 . 52.316 4.419 -33.942 1.00 60.26 99 A 1 ATOM 754 N N . LYS A 0 100 . 51.032 4.347 -32.086 1.00 68.85 100 A 1 ATOM 755 C CA . LYS A 0 100 . 50.462 5.676 -31.932 1.00 68.85 100 A 1 ATOM 756 C C . LYS A 0 100 . 51.139 6.727 -32.823 1.00 68.85 100 A 1 ATOM 757 C CB . LYS A 0 100 . 50.562 5.965 -30.424 1.00 68.85 100 A 1 ATOM 758 O O . LYS A 0 100 . 51.901 7.554 -32.336 1.00 68.85 100 A 1 ATOM 759 C CG . LYS A 0 100 . 49.712 7.145 -29.958 1.00 68.85 100 A 1 ATOM 760 C CD . LYS A 0 100 . 49.533 7.079 -28.437 1.00 68.85 100 A 1 ATOM 761 C CE . LYS A 0 100 . 48.669 8.246 -27.961 1.00 68.85 100 A 1 ATOM 762 N NZ . LYS A 0 100 . 48.499 8.225 -26.488 1.00 68.85 100 A 1 ATOM 763 N N . ASP A 0 101 . 50.765 6.725 -34.097 1.00 62.13 101 A 1 ATOM 764 C CA . ASP A 0 101 . 50.924 7.830 -35.044 1.00 62.13 101 A 1 ATOM 765 C C . ASP A 0 101 . 49.922 8.933 -34.649 1.00 62.13 101 A 1 ATOM 766 C CB . ASP A 0 101 . 50.775 7.303 -36.490 1.00 62.13 101 A 1 ATOM 767 O O . ASP A 0 101 . 49.038 9.352 -35.390 1.00 62.13 101 A 1 ATOM 768 C CG . ASP A 0 101 . 52.068 7.462 -37.289 1.00 62.13 101 A 1 ATOM 769 O OD1 . ASP A 0 101 . 52.524 8.622 -37.393 1.00 62.13 101 A 1 ATOM 770 O OD2 . ASP A 0 101 . 52.572 6.426 -37.774 1.00 62.13 101 A 1 ATOM 771 N N . ALA A 0 102 . 49.976 9.355 -33.384 1.00 62.94 102 A 1 ATOM 772 C CA . ALA A 0 102 . 49.210 10.479 -32.878 1.00 62.94 102 A 1 ATOM 773 C C . ALA A 0 102 . 50.014 11.743 -33.158 1.00 62.94 102 A 1 ATOM 774 C CB . ALA A 0 102 . 48.833 10.273 -31.409 1.00 62.94 102 A 1 ATOM 775 O O . ALA A 0 102 . 50.582 12.355 -32.260 1.00 62.94 102 A 1 ATOM 776 N N . ASN A 0 103 . 50.073 12.070 -34.446 1.00 65.28 103 A 1 ATOM 777 C CA . ASN A 0 103 . 49.673 13.365 -34.974 1.00 65.28 103 A 1 ATOM 778 C C . ASN A 0 103 . 49.453 14.431 -33.880 1.00 65.28 103 A 1 ATOM 779 C CB . ASN A 0 103 . 48.398 13.092 -35.801 1.00 65.28 103 A 1 ATOM 780 O O . ASN A 0 103 . 48.352 14.587 -33.344 1.00 65.28 103 A 1 ATOM 781 C CG . ASN A 0 103 . 48.149 14.160 -36.842 1.00 65.28 103 A 1 ATOM 782 N ND2 . ASN A 0 103 . 48.648 13.964 -38.039 1.00 65.28 103 A 1 ATOM 783 O OD1 . ASN A 0 103 . 47.533 15.180 -36.595 1.00 65.28 103 A 1 ATOM 784 N N . ASN A 0 104 . 50.513 15.139 -33.500 1.00 65.64 104 A 1 ATOM 785 C CA . ASN A 0 104 . 50.389 16.419 -32.820 1.00 65.64 104 A 1 ATOM 786 C C . ASN A 0 104 . 51.681 17.223 -32.968 1.00 65.64 104 A 1 ATOM 787 C CB . ASN A 0 104 . 50.023 16.237 -31.335 1.00 65.64 104 A 1 ATOM 788 O O . ASN A 0 104 . 52.768 16.656 -32.914 1.00 65.64 104 A 1 ATOM 789 C CG . ASN A 0 104 . 48.749 16.993 -31.020 1.00 65.64 104 A 1 ATOM 790 N ND2 . ASN A 0 104 . 47.619 16.345 -31.132 1.00 65.64 104 A 1 ATOM 791 O OD1 . ASN A 0 104 . 48.731 18.177 -30.746 1.00 65.64 104 A 1 ATOM 792 N N . PRO A 0 105 . 51.562 18.544 -33.084 1.00 55.03 105 A 1 ATOM 793 C CA . PRO A 0 105 . 50.910 19.188 -34.210 1.00 55.03 105 A 1 ATOM 794 C C . PRO A 0 105 . 51.925 20.081 -34.925 1.00 55.03 105 A 1 ATOM 795 C CB . PRO A 0 105 . 49.763 19.985 -33.586 1.00 55.03 105 A 1 ATOM 796 O O . PRO A 0 105 . 53.022 20.312 -34.426 1.00 55.03 105 A 1 ATOM 797 C CG . PRO A 0 105 . 50.370 20.453 -32.263 1.00 55.03 105 A 1 ATOM 798 C CD . PRO A 0 105 . 51.439 19.408 -31.921 1.00 55.03 105 A 1 ATOM 799 N N . ALA A 0 106 . 51.519 20.585 -36.089 1.00 64.73 106 A 1 ATOM 800 C CA . ALA A 0 106 . 52.209 21.609 -36.857 1.00 64.73 106 A 1 ATOM 801 C C . ALA A 0 106 . 52.892 22.642 -35.947 1.00 64.73 106 A 1 ATOM 802 C CB . ALA A 0 106 . 51.163 22.267 -37.767 1.00 64.73 106 A 1 ATOM 803 O O . ALA A 0 106 . 52.241 23.514 -35.364 1.00 64.73 106 A 1 ATOM 804 N N . GLU A 0 107 . 54.216 22.530 -35.844 1.00 69.22 107 A 1 ATOM 805 C CA . GLU A 0 107 . 55.078 23.635 -35.471 1.00 69.22 107 A 1 ATOM 806 C C . GLU A 0 107 . 54.900 24.673 -36.579 1.00 69.22 107 A 1 ATOM 807 C CB . GLU A 0 107 . 56.528 23.143 -35.304 1.00 69.22 107 A 1 ATOM 808 O O . GLU A 0 107 . 55.594 24.678 -37.592 1.00 69.22 107 A 1 ATOM 809 C CG . GLU A 0 107 . 57.443 24.230 -34.722 1.00 69.22 107 A 1 ATOM 810 C CD . GLU A 0 107 . 58.919 23.804 -34.733 1.00 69.22 107 A 1 ATOM 811 O OE1 . GLU A 0 107 . 59.739 24.585 -35.266 1.00 69.22 107 A 1 ATOM 812 O OE2 . GLU A 0 107 . 59.217 22.716 -34.189 1.00 69.22 107 A 1 ATOM 813 N N . ASN A 0 108 . 53.876 25.512 -36.426 1.00 66.16 108 A 1 ATOM 814 C CA . ASN A 0 108 . 53.705 26.733 -37.194 1.00 66.16 108 A 1 ATOM 815 C C . ASN A 0 108 . 54.794 27.711 -36.739 1.00 66.16 108 A 1 ATOM 816 C CB . ASN A 0 108 . 52.279 27.279 -37.013 1.00 66.16 108 A 1 ATOM 817 O O . ASN A 0 108 . 54.526 28.711 -36.079 1.00 66.16 108 A 1 ATOM 818 C CG . ASN A 0 108 . 51.231 26.456 -37.738 1.00 66.16 108 A 1 ATOM 819 N ND2 . ASN A 0 108 . 50.163 26.084 -37.073 1.00 66.16 108 A 1 ATOM 820 O OD1 . ASN A 0 108 . 51.333 26.148 -38.911 1.00 66.16 108 A 1 ATOM 821 N N . GLY A 0 109 . 56.040 27.382 -37.060 1.00 66.49 109 A 1 ATOM 822 C CA . GLY A 0 109 . 57.185 28.267 -36.998 1.00 66.49 109 A 1 ATOM 823 C C . GLY A 0 109 . 57.301 29.054 -38.296 1.00 66.49 109 A 1 ATOM 824 O O . GLY A 0 109 . 58.386 29.126 -38.863 1.00 66.49 109 A 1 ATOM 825 N N . ASP A 0 110 . 56.206 29.660 -38.772 1.00 62.91 110 A 1 ATOM 826 C CA . ASP A 0 110 . 56.257 30.733 -39.777 1.00 62.91 110 A 1 ATOM 827 C C . ASP A 0 110 . 56.789 32.014 -39.105 1.00 62.91 110 A 1 ATOM 828 C CB . ASP A 0 110 . 54.904 30.917 -40.484 1.00 62.91 110 A 1 ATOM 829 O O . ASP A 0 110 . 56.161 33.066 -39.031 1.00 62.91 110 A 1 ATOM 830 C CG . ASP A 0 110 . 55.043 31.852 -41.696 1.00 62.91 110 A 1 ATOM 831 O OD1 . ASP A 0 110 . 55.759 31.453 -42.640 1.00 62.91 110 A 1 ATOM 832 O OD2 . ASP A 0 110 . 54.463 32.962 -41.669 1.00 62.91 110 A 1 ATOM 833 N N . ALA A 0 111 . 57.967 31.897 -38.498 1.00 68.24 111 A 1 ATOM 834 C CA . ALA A 0 111 . 58.704 32.996 -37.920 1.00 68.24 111 A 1 ATOM 835 C C . ALA A 0 111 . 59.646 33.519 -39.003 1.00 68.24 111 A 1 ATOM 836 C CB . ALA A 0 111 . 59.388 32.538 -36.628 1.00 68.24 111 A 1 ATOM 837 O O . ALA A 0 111 . 60.824 33.172 -39.051 1.00 68.24 111 A 1 ATOM 838 N N . LYS A 0 112 . 59.079 34.332 -39.901 1.00 69.59 112 A 1 ATOM 839 C CA . LYS A 0 112 . 59.738 35.485 -40.532 1.00 69.59 112 A 1 ATOM 840 C C . LYS A 0 112 . 61.251 35.312 -40.754 1.00 69.59 112 A 1 ATOM 841 C CB . LYS A 0 112 . 59.486 36.713 -39.631 1.00 69.59 112 A 1 ATOM 842 O O . LYS A 0 112 . 62.056 35.836 -39.989 1.00 69.59 112 A 1 ATOM 843 C CG . LYS A 0 112 . 58.026 37.158 -39.477 1.00 69.59 112 A 1 ATOM 844 C CD . LYS A 0 112 . 57.471 37.744 -40.779 1.00 69.59 112 A 1 ATOM 845 C CE . LYS A 0 112 . 56.312 38.691 -40.465 1.00 69.59 112 A 1 ATOM 846 N NZ . LYS A 0 112 . 55.796 39.316 -41.705 1.00 69.59 112 A 1 ATOM 847 N N . ARG A 0 113 . 61.655 34.678 -41.854 1.00 70.56 113 A 1 ATOM 848 C CA . ARG A 0 113 . 62.969 34.962 -42.457 1.00 70.56 113 A 1 ATOM 849 C C . ARG A 0 113 . 62.785 35.638 -43.804 1.00 70.56 113 A 1 ATOM 850 C CB . ARG A 0 113 . 63.904 33.745 -42.459 1.00 70.56 113 A 1 ATOM 851 O O . ARG A 0 113 . 63.180 35.120 -44.836 1.00 70.56 113 A 1 ATOM 852 C CG . ARG A 0 113 . 64.306 33.346 -41.029 1.00 70.56 113 A 1 ATOM 853 C CD . ARG A 0 113 . 65.646 32.603 -41.037 1.00 70.56 113 A 1 ATOM 854 N NE . ARG A 0 113 . 66.031 32.172 -39.678 1.00 70.56 113 A 1 ATOM 855 N NH1 . ARG A 0 113 . 65.593 29.925 -39.904 1.00 70.56 113 A 1 ATOM 856 N NH2 . ARG A 0 113 . 66.342 30.711 -37.959 1.00 70.56 113 A 1 ATOM 857 C CZ . ARG A 0 113 . 65.988 30.943 -39.192 1.00 70.56 113 A 1 ATOM 858 N N . ASP A 0 114 . 62.167 36.812 -43.757 1.00 66.86 114 A 1 ATOM 859 C CA . ASP A 0 114 . 62.295 37.816 -44.808 1.00 66.86 114 A 1 ATOM 860 C C . ASP A 0 114 . 63.223 38.907 -44.274 1.00 66.86 114 A 1 ATOM 861 C CB . ASP A 0 114 . 60.927 38.344 -45.254 1.00 66.86 114 A 1 ATOM 862 O O . ASP A 0 114 . 62.798 39.914 -43.712 1.00 66.86 114 A 1 ATOM 863 C CG . ASP A 0 114 . 61.086 39.326 -46.421 1.00 66.86 114 A 1 ATOM 864 O OD1 . ASP A 0 114 . 61.816 38.967 -47.371 1.00 66.86 114 A 1 ATOM 865 O OD2 . ASP A 0 114 . 60.493 40.424 -46.342 1.00 66.86 114 A 1 ATOM 866 N N . GLN A 0 115 . 64.525 38.643 -44.331 1.00 65.46 115 A 1 ATOM 867 C CA . GLN A 0 115 . 65.500 39.717 -44.244 1.00 65.46 115 A 1 ATOM 868 C C . GLN A 0 115 . 66.701 39.369 -45.116 1.00 65.46 115 A 1 ATOM 869 C CB . GLN A 0 115 . 65.843 40.099 -42.787 1.00 65.46 115 A 1 ATOM 870 O O . GLN A 0 115 . 67.667 38.748 -44.692 1.00 65.46 115 A 1 ATOM 871 C CG . GLN A 0 115 . 65.717 41.624 -42.628 1.00 65.46 115 A 1 ATOM 872 C CD . GLN A 0 115 . 66.119 42.128 -41.246 1.00 65.46 115 A 1 ATOM 873 N NE2 . GLN A 0 115 . 65.389 43.061 -40.675 1.00 65.46 115 A 1 ATOM 874 O OE1 . GLN A 0 115 . 67.105 41.724 -40.659 1.00 65.46 115 A 1 ATOM 875 N N . ALA A 0 116 . 66.567 39.770 -46.377 1.00 62.73 116 A 1 ATOM 876 C CA . ALA A 0 116 . 67.605 40.490 -47.092 1.00 62.73 116 A 1 ATOM 877 C C . ALA A 0 116 . 69.020 39.894 -47.024 1.00 62.73 116 A 1 ATOM 878 C CB . ALA A 0 116 . 67.557 41.945 -46.597 1.00 62.73 116 A 1 ATOM 879 O O . ALA A 0 116 . 69.882 40.401 -46.313 1.00 62.73 116 A 1 ATOM 880 N N . GLN A 0 117 . 69.310 38.937 -47.903 1.00 70.58 117 A 1 ATOM 881 C CA . GLN A 0 117 . 70.625 38.936 -48.534 1.00 70.58 117 A 1 ATOM 882 C C . GLN A 0 117 . 70.463 39.616 -49.894 1.00 70.58 117 A 1 ATOM 883 C CB . GLN A 0 117 . 71.237 37.534 -48.552 1.00 70.58 117 A 1 ATOM 884 O O . GLN A 0 117 . 70.040 39.013 -50.878 1.00 70.58 117 A 1 ATOM 885 C CG . GLN A 0 117 . 72.737 37.642 -48.860 1.00 70.58 117 A 1 ATOM 886 C CD . GLN A 0 117 . 73.459 36.303 -48.785 1.00 70.58 117 A 1 ATOM 887 N NE2 . GLN A 0 117 . 74.485 36.112 -49.584 1.00 70.58 117 A 1 ATOM 888 O OE1 . GLN A 0 117 . 73.134 35.416 -48.012 1.00 70.58 117 A 1 ATOM 889 N N . LYS A 0 118 . 70.682 40.934 -49.898 1.00 68.16 118 A 1 ATOM 890 C CA . LYS A 0 118 . 70.878 41.703 -51.127 1.00 68.16 118 A 1 ATOM 891 C C . LYS A 0 118 . 72.168 41.222 -51.811 1.00 68.16 118 A 1 ATOM 892 C CB . LYS A 0 118 . 70.927 43.206 -50.809 1.00 68.16 118 A 1 ATOM 893 O O . LYS A 0 118 . 73.074 40.747 -51.128 1.00 68.16 118 A 1 ATOM 894 C CG . LYS A 0 118 . 69.563 43.794 -50.392 1.00 68.16 118 A 1 ATOM 895 C CD . LYS A 0 118 . 69.114 44.886 -51.375 1.00 68.16 118 A 1 ATOM 896 C CE . LYS A 0 118 . 67.842 45.588 -50.888 1.00 68.16 118 A 1 ATOM 897 N NZ . LYS A 0 118 . 67.432 46.665 -51.824 1.00 68.16 118 A 1 ATOM 898 N N . ALA A 0 119 . 72.151 41.316 -53.140 1.00 63.23 119 A 1 ATOM 899 C CA . ALA A 0 119 . 73.202 40.947 -54.087 1.00 63.23 119 A 1 ATOM 900 C C . ALA A 0 119 . 74.585 41.535 -53.773 1.00 63.23 119 A 1 ATOM 901 C CB . ALA A 0 119 . 72.727 41.402 -55.475 1.00 63.23 119 A 1 ATOM 902 O O . ALA A 0 119 . 74.629 42.640 -53.183 1.00 63.23 119 A 1 ATOM 903 O OXT . ALA A 0 119 . 75.547 40.871 -54.207 1.00 63.23 119 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 64.47 # loop_ _atom_type.symbol C N O S #