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 THR 0 3 ARG 0 4 LYS 0 5 ARG 0 6 ARG 0 7 ASN 0 8 HIS 0 9 GLY 0 10 ARG 0 11 SER 0 12 LYS 0 13 LYS 0 14 GLY 0 15 ARG 0 16 GLY 0 17 HIS 0 18 VAL 0 19 SER 0 20 PHE 0 21 VAL 0 22 ARG 0 23 CYS 0 24 THR 0 25 ASN 0 26 CYS 0 27 GLY 0 28 ARG 0 29 ALA 0 30 CYS 0 31 PRO 0 32 LYS 0 33 ASP 0 34 LYS 0 35 SER 0 36 VAL 0 37 TRP 0 38 LYS 0 39 LEU 0 40 VAL 0 41 THR 0 42 ARG 0 43 SER 0 44 MET 0 45 ILE 0 46 GLU 0 47 ALA 0 48 ALA 0 49 ALA 0 50 VAL 0 51 LYS 0 52 ASP 0 53 LEU 0 54 GLU 0 55 ASP 0 56 ALA 0 57 SER 0 58 VAL 0 59 TYR 0 60 GLY 0 61 LYS 0 62 ASN 0 63 TYR 0 64 ALA 0 65 VAL 0 66 PRO 0 67 LYS 0 68 LEU 0 69 TYR 0 70 VAL 0 71 LYS 0 72 LEU 0 73 GLN 0 74 TYR 0 75 CYS 0 76 ILE 0 77 SER 0 78 CYS 0 79 ALA 0 80 ILE 0 81 HIS 0 82 SER 0 83 LYS 0 84 VAL 0 85 LEU 0 86 ARG 0 87 ASN 0 88 ARG 0 89 SER 0 90 ARG 0 91 GLU 0 92 SER 0 93 ARG 0 94 ARG 0 95 LEU 0 96 ARG 0 97 ARG 0 98 ILE 0 99 ILE 0 100 VAL 0 101 LYS 0 102 PRO 0 103 ARG 0 104 VAL 0 105 LYS 0 106 PHE 0 107 SER 0 108 ARG 0 109 PRO 0 110 VAL 0 111 PRO 0 112 PRO 0 113 LYS 0 114 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 . 23.570 3.049 -27.376 1.00 74.86 1 A 1 ATOM 2 C CA . MET A 0 1 . 22.398 3.540 -26.603 1.00 74.86 1 A 1 ATOM 3 C C . MET A 0 1 . 22.558 3.223 -25.117 1.00 74.86 1 A 1 ATOM 4 C CB . MET A 0 1 . 21.080 2.934 -27.121 1.00 74.86 1 A 1 ATOM 5 O O . MET A 0 1 . 22.751 2.064 -24.764 1.00 74.86 1 A 1 ATOM 6 C CG . MET A 0 1 . 20.199 3.991 -27.788 1.00 74.86 1 A 1 ATOM 7 S SD . MET A 0 1 . 18.519 3.398 -28.116 1.00 74.86 1 A 1 ATOM 8 C CE . MET A 0 1 . 18.722 2.700 -29.782 1.00 74.86 1 A 1 ATOM 9 N N . THR A 0 2 . 22.481 4.218 -24.230 1.00 89.17 2 A 1 ATOM 10 C CA . THR A 0 2 . 22.649 3.996 -22.784 1.00 89.17 2 A 1 ATOM 11 C C . THR A 0 2 . 21.348 3.512 -22.135 1.00 89.17 2 A 1 ATOM 12 C CB . THR A 0 2 . 23.198 5.242 -22.070 1.00 89.17 2 A 1 ATOM 13 O O . THR A 0 2 . 20.269 4.072 -22.320 1.00 89.17 2 A 1 ATOM 14 C CG2 . THR A 0 2 . 24.620 5.576 -22.512 1.00 89.17 2 A 1 ATOM 15 O OG1 . THR A 0 2 . 22.391 6.355 -22.349 1.00 89.17 2 A 1 ATOM 16 N N . ARG A 0 3 . 21.427 2.442 -21.335 1.00 90.66 3 A 1 ATOM 17 C CA . ARG A 0 3 . 20.263 1.859 -20.649 1.00 90.66 3 A 1 ATOM 18 C C . ARG A 0 3 . 20.360 2.064 -19.143 1.00 90.66 3 A 1 ATOM 19 C CB . ARG A 0 3 . 20.134 0.386 -21.055 1.00 90.66 3 A 1 ATOM 20 O O . ARG A 0 3 . 21.113 1.379 -18.458 1.00 90.66 3 A 1 ATOM 21 C CG . ARG A 0 3 . 18.835 -0.242 -20.535 1.00 90.66 3 A 1 ATOM 22 C CD . ARG A 0 3 . 18.792 -1.700 -20.987 1.00 90.66 3 A 1 ATOM 23 N NE . ARG A 0 3 . 17.577 -2.390 -20.529 1.00 90.66 3 A 1 ATOM 24 N NH1 . ARG A 0 3 . 18.294 -4.527 -20.985 1.00 90.66 3 A 1 ATOM 25 N NH2 . ARG A 0 3 . 16.214 -4.171 -20.325 1.00 90.66 3 A 1 ATOM 26 C CZ . ARG A 0 3 . 17.375 -3.688 -20.608 1.00 90.66 3 A 1 ATOM 27 N N . LYS A 0 4 . 19.504 2.931 -18.592 1.00 90.38 4 A 1 ATOM 28 C CA . LYS A 0 4 . 19.484 3.242 -17.146 1.00 90.38 4 A 1 ATOM 29 C C . LYS A 0 4 . 19.247 2.017 -16.245 1.00 90.38 4 A 1 ATOM 30 C CB . LYS A 0 4 . 18.443 4.350 -16.894 1.00 90.38 4 A 1 ATOM 31 O O . LYS A 0 4 . 19.761 1.976 -15.131 1.00 90.38 4 A 1 ATOM 32 C CG . LYS A 0 4 . 18.473 4.938 -15.468 1.00 90.38 4 A 1 ATOM 33 C CD . LYS A 0 4 . 17.483 6.111 -15.351 1.00 90.38 4 A 1 ATOM 34 C CE . LYS A 0 4 . 17.550 6.806 -13.982 1.00 90.38 4 A 1 ATOM 35 N NZ . LYS A 0 4 . 16.792 8.089 -13.961 1.00 90.38 4 A 1 ATOM 36 N N . ARG A 0 5 . 18.422 1.044 -16.669 1.00 90.84 5 A 1 ATOM 37 C CA . ARG A 0 5 . 18.078 -0.167 -15.887 1.00 90.84 5 A 1 ATOM 38 C C . ARG A 0 5 . 17.937 -1.412 -16.774 1.00 90.84 5 A 1 ATOM 39 C CB . ARG A 0 5 . 16.766 0.043 -15.097 1.00 90.84 5 A 1 ATOM 40 O O . ARG A 0 5 . 17.176 -1.372 -17.741 1.00 90.84 5 A 1 ATOM 41 C CG . ARG A 0 5 . 16.807 1.171 -14.053 1.00 90.84 5 A 1 ATOM 42 C CD . ARG A 0 5 . 15.509 1.207 -13.230 1.00 90.84 5 A 1 ATOM 43 N NE . ARG A 0 5 . 15.606 2.144 -12.089 1.00 90.84 5 A 1 ATOM 44 N NH1 . ARG A 0 5 . 14.731 4.030 -13.079 1.00 90.84 5 A 1 ATOM 45 N NH2 . ARG A 0 5 . 15.299 4.077 -10.924 1.00 90.84 5 A 1 ATOM 46 C CZ . ARG A 0 5 . 15.216 3.407 -12.040 1.00 90.84 5 A 1 ATOM 47 N N . ARG A 0 6 . 18.537 -2.549 -16.372 1.00 90.82 6 A 1 ATOM 48 C CA . ARG A 0 6 . 18.451 -3.875 -17.049 1.00 90.82 6 A 1 ATOM 49 C C . ARG A 0 6 . 17.020 -4.428 -17.190 1.00 90.82 6 A 1 ATOM 50 C CB . ARG A 0 6 . 19.365 -4.898 -16.318 1.00 90.82 6 A 1 ATOM 51 O O . ARG A 0 6 . 16.788 -5.362 -17.948 1.00 90.82 6 A 1 ATOM 52 C CG . ARG A 0 6 . 19.482 -6.280 -17.012 1.00 90.82 6 A 1 ATOM 53 C CD . ARG A 0 6 . 20.426 -7.266 -16.301 1.00 90.82 6 A 1 ATOM 54 N NE . ARG A 0 6 . 20.464 -8.581 -16.989 1.00 90.82 6 A 1 ATOM 55 N NH1 . ARG A 0 6 . 21.255 -9.890 -15.255 1.00 90.82 6 A 1 ATOM 56 N NH2 . ARG A 0 6 . 20.839 -10.826 -17.222 1.00 90.82 6 A 1 ATOM 57 C CZ . ARG A 0 6 . 20.849 -9.751 -16.486 1.00 90.82 6 A 1 ATOM 58 N N . ASN A 0 7 . 16.045 -3.887 -16.462 1.00 90.42 7 A 1 ATOM 59 C CA . ASN A 0 7 . 14.638 -4.300 -16.533 1.00 90.42 7 A 1 ATOM 60 C C . ASN A 0 7 . 13.716 -3.265 -17.211 1.00 90.42 7 A 1 ATOM 61 C CB . ASN A 0 7 . 14.164 -4.689 -15.118 1.00 90.42 7 A 1 ATOM 62 O O . ASN A 0 7 . 12.506 -3.451 -17.204 1.00 90.42 7 A 1 ATOM 63 C CG . ASN A 0 7 . 14.081 -3.523 -14.147 1.00 90.42 7 A 1 ATOM 64 N ND2 . ASN A 0 7 . 13.494 -3.734 -12.993 1.00 90.42 7 A 1 ATOM 65 O OD1 . ASN A 0 7 . 14.556 -2.424 -14.401 1.00 90.42 7 A 1 ATOM 66 N N . HIS A 0 8 . 14.243 -2.152 -17.740 1.00 91.57 8 A 1 ATOM 67 C CA . HIS A 0 8 . 13.439 -1.002 -18.207 1.00 91.57 8 A 1 ATOM 68 C C . HIS A 0 8 . 12.425 -0.467 -17.169 1.00 91.57 8 A 1 ATOM 69 C CB . HIS A 0 8 . 12.756 -1.302 -19.553 1.00 91.57 8 A 1 ATOM 70 O O . HIS A 0 8 . 11.457 0.201 -17.524 1.00 91.57 8 A 1 ATOM 71 C CG . HIS A 0 8 . 13.683 -1.750 -20.644 1.00 91.57 8 A 1 ATOM 72 C CD2 . HIS A 0 8 . 13.661 -2.979 -21.236 1.00 91.57 8 A 1 ATOM 73 N ND1 . HIS A 0 8 . 14.585 -0.969 -21.341 1.00 91.57 8 A 1 ATOM 74 C CE1 . HIS A 0 8 . 15.102 -1.717 -22.331 1.00 91.57 8 A 1 ATOM 75 N NE2 . HIS A 0 8 . 14.610 -2.963 -22.256 1.00 91.57 8 A 1 ATOM 76 N N . GLY A 0 9 . 12.627 -0.756 -15.877 1.00 90.93 9 A 1 ATOM 77 C CA . GLY A 0 9 . 11.705 -0.364 -14.811 1.00 90.93 9 A 1 ATOM 78 C C . GLY A 0 9 . 10.394 -1.157 -14.749 1.00 90.93 9 A 1 ATOM 79 O O . GLY A 0 9 . 9.452 -0.658 -14.147 1.00 90.93 9 A 1 ATOM 80 N N . ARG A 0 10 . 10.310 -2.353 -15.351 1.00 92.84 10 A 1 ATOM 81 C CA . ARG A 0 10 . 9.134 -3.240 -15.250 1.00 92.84 10 A 1 ATOM 82 C C . ARG A 0 10 . 9.522 -4.713 -15.104 1.00 92.84 10 A 1 ATOM 83 C CB . ARG A 0 10 . 8.184 -3.005 -16.441 1.00 92.84 10 A 1 ATOM 84 O O . ARG A 0 10 . 10.610 -5.108 -15.527 1.00 92.84 10 A 1 ATOM 85 C CG . ARG A 0 10 . 8.774 -3.384 -17.813 1.00 92.84 10 A 1 ATOM 86 C CD . ARG A 0 10 . 7.736 -3.158 -18.924 1.00 92.84 10 A 1 ATOM 87 N NE . ARG A 0 10 . 8.246 -3.552 -20.256 1.00 92.84 10 A 1 ATOM 88 N NH1 . ARG A 0 10 . 6.558 -2.643 -21.535 1.00 92.84 10 A 1 ATOM 89 N NH2 . ARG A 0 10 . 8.277 -3.631 -22.543 1.00 92.84 10 A 1 ATOM 90 C CZ . ARG A 0 10 . 7.696 -3.273 -21.430 1.00 92.84 10 A 1 ATOM 91 N N . SER A 0 11 . 8.626 -5.532 -14.555 1.00 91.83 11 A 1 ATOM 92 C CA . SER A 0 11 . 8.810 -6.990 -14.416 1.00 91.83 11 A 1 ATOM 93 C C . SER A 0 11 . 8.192 -7.794 -15.573 1.00 91.83 11 A 1 ATOM 94 C CB . SER A 0 11 . 8.323 -7.484 -13.051 1.00 91.83 11 A 1 ATOM 95 O O . SER A 0 11 . 7.440 -8.743 -15.373 1.00 91.83 11 A 1 ATOM 96 O OG . SER A 0 11 . 8.987 -8.700 -12.774 1.00 91.83 11 A 1 ATOM 97 N N . LYS A 0 12 . 8.511 -7.403 -16.812 1.00 89.46 12 A 1 ATOM 98 C CA . LYS A 0 12 . 8.031 -8.066 -18.033 1.00 89.46 12 A 1 ATOM 99 C C . LYS A 0 12 . 9.132 -8.994 -18.558 1.00 89.46 12 A 1 ATOM 100 C CB . LYS A 0 12 . 7.569 -6.985 -19.027 1.00 89.46 12 A 1 ATOM 101 O O . LYS A 0 12 . 10.040 -8.533 -19.251 1.00 89.46 12 A 1 ATOM 102 C CG . LYS A 0 12 . 6.795 -7.554 -20.224 1.00 89.46 12 A 1 ATOM 103 C CD . LYS A 0 12 . 6.395 -6.425 -21.188 1.00 89.46 12 A 1 ATOM 104 C CE . LYS A 0 12 . 5.612 -6.972 -22.381 1.00 89.46 12 A 1 ATOM 105 N NZ . LYS A 0 12 . 5.212 -5.944 -23.376 1.00 89.46 12 A 1 ATOM 106 N N . LYS A 0 13 . 9.125 -10.260 -18.140 1.00 89.89 13 A 1 ATOM 107 C CA . LYS A 0 13 . 10.071 -11.306 -18.573 1.00 89.89 13 A 1 ATOM 108 C C . LYS A 0 13 . 9.274 -12.435 -19.217 1.00 89.89 13 A 1 ATOM 109 C CB . LYS A 0 13 . 10.886 -11.824 -17.368 1.00 89.89 13 A 1 ATOM 110 O O . LYS A 0 13 . 8.310 -12.871 -18.606 1.00 89.89 13 A 1 ATOM 111 C CG . LYS A 0 13 . 11.793 -10.772 -16.707 1.00 89.89 13 A 1 ATOM 112 C CD . LYS A 0 13 . 12.860 -10.272 -17.685 1.00 89.89 13 A 1 ATOM 113 C CE . LYS A 0 13 . 13.818 -9.283 -17.026 1.00 89.89 13 A 1 ATOM 114 N NZ . LYS A 0 13 . 14.843 -8.878 -18.017 1.00 89.89 13 A 1 ATOM 115 N N . GLY A 0 14 . 9.609 -12.806 -20.456 1.00 88.77 14 A 1 ATOM 116 C CA . GLY A 0 14 . 8.903 -13.846 -21.225 1.00 88.77 14 A 1 ATOM 117 C C . GLY A 0 14 . 7.441 -13.538 -21.582 1.00 88.77 14 A 1 ATOM 118 O O . GLY A 0 14 . 6.763 -14.381 -22.143 1.00 88.77 14 A 1 ATOM 119 N N . ARG A 0 15 . 6.935 -12.339 -21.258 1.00 85.85 15 A 1 ATOM 120 C CA . ARG A 0 15 . 5.534 -11.949 -21.475 1.00 85.85 15 A 1 ATOM 121 C C . ARG A 0 15 . 5.438 -10.883 -22.561 1.00 85.85 15 A 1 ATOM 122 C CB . ARG A 0 15 . 4.892 -11.507 -20.147 1.00 85.85 15 A 1 ATOM 123 O O . ARG A 0 15 . 6.041 -9.819 -22.410 1.00 85.85 15 A 1 ATOM 124 C CG . ARG A 0 15 . 4.761 -12.683 -19.161 1.00 85.85 15 A 1 ATOM 125 C CD . ARG A 0 15 . 3.931 -12.326 -17.921 1.00 85.85 15 A 1 ATOM 126 N NE . ARG A 0 15 . 4.660 -11.488 -16.937 1.00 85.85 15 A 1 ATOM 127 N NH1 . ARG A 0 15 . 4.683 -12.998 -15.195 1.00 85.85 15 A 1 ATOM 128 N NH2 . ARG A 0 15 . 5.556 -10.967 -14.912 1.00 85.85 15 A 1 ATOM 129 C CZ . ARG A 0 15 . 4.964 -11.824 -15.695 1.00 85.85 15 A 1 ATOM 130 N N . GLY A 0 16 . 4.675 -11.152 -23.622 1.00 89.81 16 A 1 ATOM 131 C CA . GLY A 0 16 . 4.464 -10.245 -24.759 1.00 89.81 16 A 1 ATOM 132 C C . GLY A 0 16 . 3.589 -9.036 -24.418 1.00 89.81 16 A 1 ATOM 133 O O . GLY A 0 16 . 3.998 -7.900 -24.649 1.00 89.81 16 A 1 ATOM 134 N N . HIS A 0 17 . 2.448 -9.241 -23.761 1.00 91.98 17 A 1 ATOM 135 C CA . HIS A 0 17 . 1.539 -8.185 -23.300 1.00 91.98 17 A 1 ATOM 136 C C . HIS A 0 17 . 1.154 -8.406 -21.829 1.00 91.98 17 A 1 ATOM 137 C CB . HIS A 0 17 . 0.320 -8.106 -24.229 1.00 91.98 17 A 1 ATOM 138 O O . HIS A 0 17 . 1.241 -9.518 -21.316 1.00 91.98 17 A 1 ATOM 139 C CG . HIS A 0 17 . -0.665 -7.045 -23.811 1.00 91.98 17 A 1 ATOM 140 C CD2 . HIS A 0 17 . -0.550 -5.695 -24.004 1.00 91.98 17 A 1 ATOM 141 N ND1 . HIS A 0 17 . -1.831 -7.258 -23.111 1.00 91.98 17 A 1 ATOM 142 C CE1 . HIS A 0 17 . -2.402 -6.063 -22.886 1.00 91.98 17 A 1 ATOM 143 N NE2 . HIS A 0 17 . -1.632 -5.080 -23.376 1.00 91.98 17 A 1 ATOM 144 N N . VAL A 0 18 . 0.804 -7.329 -21.123 1.00 92.42 18 A 1 ATOM 145 C CA . VAL A 0 18 . 0.390 -7.365 -19.714 1.00 92.42 18 A 1 ATOM 146 C C . VAL A 0 18 . -0.747 -6.374 -19.548 1.00 92.42 18 A 1 ATOM 147 C CB . VAL A 0 18 . 1.541 -6.997 -18.758 1.00 92.42 18 A 1 ATOM 148 O O . VAL A 0 18 . -0.637 -5.251 -20.036 1.00 92.42 18 A 1 ATOM 149 C CG1 . VAL A 0 18 . 1.099 -7.068 -17.289 1.00 92.42 18 A 1 ATOM 150 C CG2 . VAL A 0 18 . 2.746 -7.925 -18.950 1.00 92.42 18 A 1 ATOM 151 N N . SER A 0 19 . -1.799 -6.771 -18.834 1.00 93.90 19 A 1 ATOM 152 C CA . SER A 0 19 . -2.959 -5.923 -18.570 1.00 93.90 19 A 1 ATOM 153 C C . SER A 0 19 . -2.566 -4.576 -17.947 1.00 93.90 19 A 1 ATOM 154 C CB . SER A 0 19 . -3.961 -6.669 -17.678 1.00 93.90 19 A 1 ATOM 155 O O . SER A 0 19 . -1.640 -4.469 -17.128 1.00 93.90 19 A 1 ATOM 156 O OG . SER A 0 19 . -3.405 -6.901 -16.394 1.00 93.90 19 A 1 ATOM 157 N N . PHE A 0 20 . -3.299 -3.532 -18.322 1.00 94.61 20 A 1 ATOM 158 C CA . PHE A 0 20 . -3.159 -2.210 -17.727 1.00 94.61 20 A 1 ATOM 159 C C . PHE A 0 20 . -4.009 -2.092 -16.463 1.00 94.61 20 A 1 ATOM 160 C CB . PHE A 0 20 . -3.490 -1.127 -18.759 1.00 94.61 20 A 1 ATOM 161 O O . PHE A 0 20 . -5.035 -2.750 -16.321 1.00 94.61 20 A 1 ATOM 162 C CG . PHE A 0 20 . -2.521 -1.104 -19.926 1.00 94.61 20 A 1 ATOM 163 C CD1 . PHE A 0 20 . -1.347 -0.332 -19.853 1.00 94.61 20 A 1 ATOM 164 C CD2 . PHE A 0 20 . -2.791 -1.848 -21.089 1.00 94.61 20 A 1 ATOM 165 C CE1 . PHE A 0 20 . -0.443 -0.310 -20.931 1.00 94.61 20 A 1 ATOM 166 C CE2 . PHE A 0 20 . -1.888 -1.830 -22.163 1.00 94.61 20 A 1 ATOM 167 C CZ . PHE A 0 20 . -0.713 -1.065 -22.086 1.00 94.61 20 A 1 ATOM 168 N N . VAL A 0 21 . -3.573 -1.235 -15.546 1.00 94.75 21 A 1 ATOM 169 C CA . VAL A 0 21 . -4.328 -0.817 -14.367 1.00 94.75 21 A 1 ATOM 170 C C . VAL A 0 21 . -4.347 0.706 -14.312 1.00 94.75 21 A 1 ATOM 171 C CB . VAL A 0 21 . -3.781 -1.425 -13.060 1.00 94.75 21 A 1 ATOM 172 O O . VAL A 0 21 . -3.406 1.371 -14.758 1.00 94.75 21 A 1 ATOM 173 C CG1 . VAL A 0 21 . -4.821 -1.191 -11.952 1.00 94.75 21 A 1 ATOM 174 C CG2 . VAL A 0 21 . -3.516 -2.935 -13.184 1.00 94.75 21 A 1 ATOM 175 N N . ARG A 0 22 . -5.439 1.272 -13.799 1.00 96.05 22 A 1 ATOM 176 C CA . ARG A 0 22 . -5.608 2.715 -13.629 1.00 96.05 22 A 1 ATOM 177 C C . ARG A 0 22 . -4.942 3.163 -12.328 1.00 96.05 22 A 1 ATOM 178 C CB . ARG A 0 22 . -7.108 3.064 -13.670 1.00 96.05 22 A 1 ATOM 179 O O . ARG A 0 22 . -5.065 2.506 -11.298 1.00 96.05 22 A 1 ATOM 180 C CG . ARG A 0 22 . -7.778 2.780 -15.032 1.00 96.05 22 A 1 ATOM 181 C CD . ARG A 0 22 . -7.443 3.849 -16.079 1.00 96.05 22 A 1 ATOM 182 N NE . ARG A 0 22 . -7.912 3.496 -17.435 1.00 96.05 22 A 1 ATOM 183 N NH1 . ARG A 0 22 . -9.941 4.595 -17.403 1.00 96.05 22 A 1 ATOM 184 N NH2 . ARG A 0 22 . -9.284 3.556 -19.254 1.00 96.05 22 A 1 ATOM 185 C CZ . ARG A 0 22 . -9.037 3.885 -18.017 1.00 96.05 22 A 1 ATOM 186 N N . CYS A 0 23 . -4.208 4.270 -12.391 1.00 95.80 23 A 1 ATOM 187 C CA . CYS A 0 23 . -3.660 4.917 -11.204 1.00 95.80 23 A 1 ATOM 188 C C . CYS A 0 23 . -4.798 5.397 -10.293 1.00 95.80 23 A 1 ATOM 189 C CB . CYS A 0 23 . -2.794 6.100 -11.656 1.00 95.80 23 A 1 ATOM 190 O O . CYS A 0 23 . -5.725 6.033 -10.786 1.00 95.80 23 A 1 ATOM 191 S SG . CYS A 0 23 . -2.000 6.912 -10.234 1.00 95.80 23 A 1 ATOM 192 N N . THR A 0 24 . -4.687 5.180 -8.982 1.00 94.91 24 A 1 ATOM 193 C CA . THR A 0 24 . -5.704 5.607 -8.004 1.00 94.91 24 A 1 ATOM 194 C C . THR A 0 24 . -5.860 7.121 -7.896 1.00 94.91 24 A 1 ATOM 195 C CB . THR A 0 24 . -5.386 5.061 -6.604 1.00 94.91 24 A 1 ATOM 196 O O . THR A 0 24 . -6.921 7.581 -7.510 1.00 94.91 24 A 1 ATOM 197 C CG2 . THR A 0 24 . -5.560 3.543 -6.559 1.00 94.91 24 A 1 ATOM 198 O OG1 . THR A 0 24 . -4.052 5.362 -6.231 1.00 94.91 24 A 1 ATOM 199 N N . ASN A 0 25 . -4.820 7.897 -8.223 1.00 93.69 25 A 1 ATOM 200 C CA . ASN A 0 25 . -4.851 9.354 -8.053 1.00 93.69 25 A 1 ATOM 201 C C . ASN A 0 25 . -5.205 10.082 -9.350 1.00 93.69 25 A 1 ATOM 202 C CB . ASN A 0 25 . -3.511 9.855 -7.488 1.00 93.69 25 A 1 ATOM 203 O O . ASN A 0 25 . -6.097 10.910 -9.369 1.00 93.69 25 A 1 ATOM 204 C CG . ASN A 0 25 . -3.263 9.436 -6.052 1.00 93.69 25 A 1 ATOM 205 N ND2 . ASN A 0 25 . -2.501 10.216 -5.321 1.00 93.69 25 A 1 ATOM 206 O OD1 . ASN A 0 25 . -3.672 8.386 -5.583 1.00 93.69 25 A 1 ATOM 207 N N . CYS A 0 26 . -4.482 9.794 -10.435 1.00 95.16 26 A 1 ATOM 208 C CA . CYS A 0 26 . -4.637 10.524 -11.697 1.00 95.16 26 A 1 ATOM 209 C C . CYS A 0 26 . -5.417 9.759 -12.770 1.00 95.16 26 A 1 ATOM 210 C CB . CYS A 0 26 . -3.253 10.963 -12.195 1.00 95.16 26 A 1 ATOM 211 O O . CYS A 0 26 . -5.477 10.217 -13.905 1.00 95.16 26 A 1 ATOM 212 S SG . CYS A 0 26 . -2.199 9.546 -12.634 1.00 95.16 26 A 1 ATOM 213 N N . GLY A 0 27 . -5.893 8.540 -12.493 1.00 93.86 27 A 1 ATOM 214 C CA . GLY A 0 27 . -6.603 7.718 -13.480 1.00 93.86 27 A 1 ATOM 215 C C . GLY A 0 27 . -5.754 7.238 -14.667 1.00 93.86 27 A 1 ATOM 216 O O . GLY A 0 27 . -6.235 6.467 -15.491 1.00 93.86 27 A 1 ATOM 217 N N . ARG A 0 28 . -4.473 7.620 -14.774 1.00 94.88 28 A 1 ATOM 218 C CA . ARG A 0 28 . -3.610 7.226 -15.900 1.00 94.88 28 A 1 ATOM 219 C C . ARG A 0 28 . -3.464 5.707 -15.998 1.00 94.88 28 A 1 ATOM 220 C CB . ARG A 0 28 . -2.245 7.922 -15.784 1.00 94.88 28 A 1 ATOM 221 O O . ARG A 0 28 . -3.102 5.051 -15.017 1.00 94.88 28 A 1 ATOM 222 C CG . ARG A 0 28 . -1.360 7.665 -17.013 1.00 94.88 28 A 1 ATOM 223 C CD . ARG A 0 28 . -0.041 8.433 -16.906 1.00 94.88 28 A 1 ATOM 224 N NE . ARG A 0 28 . 0.785 8.234 -18.113 1.00 94.88 28 A 1 ATOM 225 N NH1 . ARG A 0 28 . 2.408 9.786 -17.633 1.00 94.88 28 A 1 ATOM 226 N NH2 . ARG A 0 28 . 2.427 8.746 -19.606 1.00 94.88 28 A 1 ATOM 227 C CZ . ARG A 0 28 . 1.868 8.916 -18.441 1.00 94.88 28 A 1 ATOM 228 N N . ALA A 0 29 . -3.640 5.162 -17.201 1.00 95.14 29 A 1 ATOM 229 C CA . ALA A 0 29 . -3.365 3.759 -17.489 1.00 95.14 29 A 1 ATOM 230 C C . ALA A 0 29 . -1.859 3.457 -17.388 1.00 95.14 29 A 1 ATOM 231 C CB . ALA A 0 29 . -3.931 3.408 -18.870 1.00 95.14 29 A 1 ATOM 232 O O . ALA A 0 29 . -1.023 4.100 -18.028 1.00 95.14 29 A 1 ATOM 233 N N . CYS A 0 30 . -1.503 2.470 -16.571 1.00 93.12 30 A 1 ATOM 234 C CA . CYS A 0 30 . -0.140 1.977 -16.397 1.00 93.12 30 A 1 ATOM 235 C C . CYS A 0 30 . -0.123 0.450 -16.518 1.00 93.12 30 A 1 ATOM 236 C CB . CYS A 0 30 . 0.388 2.412 -15.025 1.00 93.12 30 A 1 ATOM 237 O O . CYS A 0 30 . -1.025 -0.202 -16.005 1.00 93.12 30 A 1 ATOM 238 S SG . CYS A 0 30 . 0.672 4.199 -15.041 1.00 93.12 30 A 1 ATOM 239 N N . PRO A 0 31 . 0.898 -0.163 -17.141 1.00 94.99 31 A 1 ATOM 240 C CA . PRO A 0 31 . 1.029 -1.616 -17.128 1.00 94.99 31 A 1 ATOM 241 C C . PRO A 0 31 . 1.127 -2.122 -15.687 1.00 94.99 31 A 1 ATOM 242 C CB . PRO A 0 31 . 2.307 -1.936 -17.910 1.00 94.99 31 A 1 ATOM 243 O O . PRO A 0 31 . 1.889 -1.545 -14.900 1.00 94.99 31 A 1 ATOM 244 C CG . PRO A 0 31 . 2.593 -0.666 -18.712 1.00 94.99 31 A 1 ATOM 245 C CD . PRO A 0 31 . 1.973 0.458 -17.888 1.00 94.99 31 A 1 ATOM 246 N N . LYS A 0 32 . 0.443 -3.222 -15.359 1.00 93.66 32 A 1 ATOM 247 C CA . LYS A 0 32 . 0.471 -3.827 -14.014 1.00 93.66 32 A 1 ATOM 248 C C . LYS A 0 32 . 1.903 -4.010 -13.488 1.00 93.66 32 A 1 ATOM 249 C CB . LYS A 0 32 . -0.300 -5.153 -14.083 1.00 93.66 32 A 1 ATOM 250 O O . LYS A 0 32 . 2.215 -3.581 -12.384 1.00 93.66 32 A 1 ATOM 251 C CG . LYS A 0 32 . -0.527 -5.825 -12.719 1.00 93.66 32 A 1 ATOM 252 C CD . LYS A 0 32 . -1.348 -7.108 -12.923 1.00 93.66 32 A 1 ATOM 253 C CE . LYS A 0 32 . -1.581 -7.880 -11.619 1.00 93.66 32 A 1 ATOM 254 N NZ . LYS A 0 32 . -2.357 -9.126 -11.869 1.00 93.66 32 A 1 ATOM 255 N N . ASP A 0 33 . 2.811 -4.500 -14.333 1.00 93.68 33 A 1 ATOM 256 C CA . ASP A 0 33 . 4.224 -4.770 -14.001 1.00 93.68 33 A 1 ATOM 257 C C . ASP A 0 33 . 5.108 -3.527 -13.799 1.00 93.68 33 A 1 ATOM 258 C CB . ASP A 0 33 . 4.845 -5.574 -15.151 1.00 93.68 33 A 1 ATOM 259 O O . ASP A 0 33 . 6.281 -3.650 -13.427 1.00 93.68 33 A 1 ATOM 260 C CG . ASP A 0 33 . 4.291 -6.981 -15.324 1.00 93.68 33 A 1 ATOM 261 O OD1 . ASP A 0 33 . 3.480 -7.421 -14.486 1.00 93.68 33 A 1 ATOM 262 O OD2 . ASP A 0 33 . 4.734 -7.607 -16.308 1.00 93.68 33 A 1 ATOM 263 N N . LYS A 0 34 . 4.594 -2.343 -14.141 1.00 93.94 34 A 1 ATOM 264 C CA . LYS A 0 34 . 5.268 -1.046 -13.982 1.00 93.94 34 A 1 ATOM 265 C C . LYS A 0 34 . 4.609 -0.198 -12.890 1.00 93.94 34 A 1 ATOM 266 C CB . LYS A 0 34 . 5.278 -0.340 -15.348 1.00 93.94 34 A 1 ATOM 267 O O . LYS A 0 34 . 5.219 0.758 -12.413 1.00 93.94 34 A 1 ATOM 268 C CG . LYS A 0 34 . 6.224 0.869 -15.390 1.00 93.94 34 A 1 ATOM 269 C CD . LYS A 0 34 . 6.309 1.463 -16.804 1.00 93.94 34 A 1 ATOM 270 C CE . LYS A 0 34 . 7.374 2.566 -16.865 1.00 93.94 34 A 1 ATOM 271 N NZ . LYS A 0 34 . 7.372 3.302 -18.157 1.00 93.94 34 A 1 ATOM 272 N N . SER A 0 35 . 3.371 -0.531 -12.529 1.00 94.46 35 A 1 ATOM 273 C CA . SER A 0 35 . 2.636 0.120 -11.454 1.00 94.46 35 A 1 ATOM 274 C C . SER A 0 35 . 3.324 -0.109 -10.110 1.00 94.46 35 A 1 ATOM 275 C CB . SER A 0 35 . 1.175 -0.346 -11.423 1.00 94.46 35 A 1 ATOM 276 O O . SER A 0 35 . 3.937 -1.150 -9.855 1.00 94.46 35 A 1 ATOM 277 O OG . SER A 0 35 . 1.061 -1.646 -10.883 1.00 94.46 35 A 1 ATOM 278 N N . VAL A 0 36 . 3.235 0.897 -9.250 1.00 94.24 36 A 1 ATOM 279 C CA . VAL A 0 36 . 3.758 0.825 -7.889 1.00 94.24 36 A 1 ATOM 280 C C . VAL A 0 36 . 2.570 0.538 -7.003 1.00 94.24 36 A 1 ATOM 281 C CB . VAL A 0 36 . 4.480 2.121 -7.514 1.00 94.24 36 A 1 ATOM 282 O O . VAL A 0 36 . 1.744 1.417 -6.765 1.00 94.24 36 A 1 ATOM 283 C CG1 . VAL A 0 36 . 4.987 2.098 -6.065 1.00 94.24 36 A 1 ATOM 284 C CG2 . VAL A 0 36 . 5.670 2.330 -8.458 1.00 94.24 36 A 1 ATOM 285 N N . TRP A 0 37 . 2.454 -0.710 -6.568 1.00 92.32 37 A 1 ATOM 286 C CA . TRP A 0 37 . 1.379 -1.107 -5.680 1.00 92.32 37 A 1 ATOM 287 C C . TRP A 0 37 . 1.810 -0.949 -4.223 1.00 92.32 37 A 1 ATOM 288 C CB . TRP A 0 37 . 0.875 -2.506 -6.029 1.00 92.32 37 A 1 ATOM 289 O O . TRP A 0 37 . 2.961 -1.207 -3.862 1.00 92.32 37 A 1 ATOM 290 C CG . TRP A 0 37 . 1.809 -3.618 -5.682 1.00 92.32 37 A 1 ATOM 291 C CD1 . TRP A 0 37 . 2.829 -4.067 -6.449 1.00 92.32 37 A 1 ATOM 292 C CD2 . TRP A 0 37 . 1.834 -4.418 -4.461 1.00 92.32 37 A 1 ATOM 293 C CE2 . TRP A 0 37 . 2.913 -5.347 -4.560 1.00 92.32 37 A 1 ATOM 294 C CE3 . TRP A 0 37 . 1.046 -4.462 -3.290 1.00 92.32 37 A 1 ATOM 295 N NE1 . TRP A 0 37 . 3.485 -5.087 -5.786 1.00 92.32 37 A 1 ATOM 296 C CH2 . TRP A 0 37 . 2.393 -6.303 -2.404 1.00 92.32 37 A 1 ATOM 297 C CZ2 . TRP A 0 37 . 3.198 -6.277 -3.553 1.00 92.32 37 A 1 ATOM 298 C CZ3 . TRP A 0 37 . 1.325 -5.400 -2.276 1.00 92.32 37 A 1 ATOM 299 N N . LYS A 0 38 . 0.873 -0.521 -3.386 1.00 92.65 38 A 1 ATOM 300 C CA . LYS A 0 38 . 1.029 -0.442 -1.939 1.00 92.65 38 A 1 ATOM 301 C C . LYS A 0 38 . -0.224 -1.027 -1.310 1.00 92.65 38 A 1 ATOM 302 C CB . LYS A 0 38 . 1.270 1.020 -1.536 1.00 92.65 38 A 1 ATOM 303 O O . LYS A 0 38 . -1.320 -0.524 -1.542 1.00 92.65 38 A 1 ATOM 304 C CG . LYS A 0 38 . 1.581 1.157 -0.039 1.00 92.65 38 A 1 ATOM 305 C CD . LYS A 0 38 . 1.810 2.628 0.329 1.00 92.65 38 A 1 ATOM 306 C CE . LYS A 0 38 . 2.138 2.745 1.821 1.00 92.65 38 A 1 ATOM 307 N NZ . LYS A 0 38 . 2.280 4.164 2.233 1.00 92.65 38 A 1 ATOM 308 N N . LEU A 0 39 . -0.057 -2.084 -0.523 1.00 92.83 39 A 1 ATOM 309 C CA . LEU A 0 39 . -1.122 -2.547 0.353 1.00 92.83 39 A 1 ATOM 310 C C . LEU A 0 39 . -1.147 -1.640 1.579 1.00 92.83 39 A 1 ATOM 311 C CB . LEU A 0 39 . -0.912 -4.026 0.701 1.00 92.83 39 A 1 ATOM 312 O O . LEU A 0 39 . -0.133 -1.467 2.259 1.00 92.83 39 A 1 ATOM 313 C CG . LEU A 0 39 . -2.046 -4.640 1.541 1.00 92.83 39 A 1 ATOM 314 C CD1 . LEU A 0 39 . -3.356 -4.721 0.750 1.00 92.83 39 A 1 ATOM 315 C CD2 . LEU A 0 39 . -1.645 -6.053 1.957 1.00 92.83 39 A 1 ATOM 316 N N . VAL A 0 40 . -2.291 -1.017 1.814 1.00 92.77 40 A 1 ATOM 317 C CA . VAL A 0 40 . -2.537 -0.183 2.980 1.00 92.77 40 A 1 ATOM 318 C C . VAL A 0 40 . -3.550 -0.911 3.844 1.00 92.77 40 A 1 ATOM 319 C CB . VAL A 0 40 . -2.997 1.222 2.559 1.00 92.77 40 A 1 ATOM 320 O O . VAL A 0 40 . -4.701 -1.076 3.450 1.00 92.77 40 A 1 ATOM 321 C CG1 . VAL A 0 40 . -3.344 2.082 3.775 1.00 92.77 40 A 1 ATOM 322 C CG2 . VAL A 0 40 . -1.871 1.935 1.795 1.00 92.77 40 A 1 ATOM 323 N N . THR A 0 41 . -3.091 -1.342 5.015 1.00 92.65 41 A 1 ATOM 324 C CA . THR A 0 41 . -3.947 -1.836 6.089 1.00 92.65 41 A 1 ATOM 325 C C . THR A 0 41 . -4.080 -0.722 7.110 1.00 92.65 41 A 1 ATOM 326 C CB . THR A 0 41 . -3.387 -3.112 6.724 1.00 92.65 41 A 1 ATOM 327 O O . THR A 0 41 . -3.080 -0.301 7.699 1.00 92.65 41 A 1 ATOM 328 C CG2 . THR A 0 41 . -4.358 -3.723 7.732 1.00 92.65 41 A 1 ATOM 329 O OG1 . THR A 0 41 . -3.170 -4.076 5.722 1.00 92.65 41 A 1 ATOM 330 N N . ARG A 0 42 . -5.293 -0.208 7.279 1.00 91.31 42 A 1 ATOM 331 C CA . ARG A 0 42 . -5.615 0.824 8.270 1.00 91.31 42 A 1 ATOM 332 C C . ARG A 0 42 . -6.719 0.298 9.171 1.00 91.31 42 A 1 ATOM 333 C CB . ARG A 0 42 . -6.017 2.133 7.570 1.00 91.31 42 A 1 ATOM 334 O O . ARG A 0 42 . -7.587 -0.426 8.702 1.00 91.31 42 A 1 ATOM 335 C CG . ARG A 0 42 . -4.787 2.870 7.019 1.00 91.31 42 A 1 ATOM 336 C CD . ARG A 0 42 . -5.207 4.078 6.174 1.00 91.31 42 A 1 ATOM 337 N NE . ARG A 0 42 . -4.042 4.818 5.647 1.00 91.31 42 A 1 ATOM 338 N NH1 . ARG A 0 42 . -5.236 6.438 4.539 1.00 91.31 42 A 1 ATOM 339 N NH2 . ARG A 0 42 . -3.012 6.529 4.546 1.00 91.31 42 A 1 ATOM 340 C CZ . ARG A 0 42 . -4.103 5.914 4.910 1.00 91.31 42 A 1 ATOM 341 N N . SER A 0 43 . -6.662 0.634 10.455 1.00 90.80 43 A 1 ATOM 342 C CA . SER A 0 43 . -7.845 0.517 11.311 1.00 90.80 43 A 1 ATOM 343 C C . SER A 0 43 . -8.950 1.397 10.724 1.00 90.80 43 A 1 ATOM 344 C CB . SER A 0 43 . -7.493 0.972 12.727 1.00 90.80 43 A 1 ATOM 345 O O . SER A 0 43 . -8.633 2.437 10.138 1.00 90.80 43 A 1 ATOM 346 O OG . SER A 0 43 . -8.629 0.925 13.550 1.00 90.80 43 A 1 ATOM 347 N N . MET A 0 44 . -10.214 0.983 10.840 1.00 90.25 44 A 1 ATOM 348 C CA . MET A 0 44 . -11.336 1.866 10.492 1.00 90.25 44 A 1 ATOM 349 C C . MET A 0 44 . -11.359 3.120 11.371 1.00 90.25 44 A 1 ATOM 350 C CB . MET A 0 44 . -12.668 1.117 10.629 1.00 90.25 44 A 1 ATOM 351 O O . MET A 0 44 . -11.762 4.181 10.912 1.00 90.25 44 A 1 ATOM 352 C CG . MET A 0 44 . -12.880 0.168 9.452 1.00 90.25 44 A 1 ATOM 353 S SD . MET A 0 44 . -14.510 -0.604 9.422 1.00 90.25 44 A 1 ATOM 354 C CE . MET A 0 44 . -14.160 -2.054 8.399 1.00 90.25 44 A 1 ATOM 355 N N . ILE A 0 45 . -10.873 2.993 12.605 1.00 90.41 45 A 1 ATOM 356 C CA . ILE A 0 45 . -10.883 4.044 13.620 1.00 90.41 45 A 1 ATOM 357 C C . ILE A 0 45 . -9.461 4.574 13.809 1.00 90.41 45 A 1 ATOM 358 C CB . ILE A 0 45 . -11.495 3.506 14.932 1.00 90.41 45 A 1 ATOM 359 O O . ILE A 0 45 . -8.499 3.796 13.872 1.00 90.41 45 A 1 ATOM 360 C CG1 . ILE A 0 45 . -12.844 2.795 14.665 1.00 90.41 45 A 1 ATOM 361 C CG2 . ILE A 0 45 . -11.683 4.650 15.943 1.00 90.41 45 A 1 ATOM 362 C CD1 . ILE A 0 45 . -13.389 2.096 15.903 1.00 90.41 45 A 1 ATOM 363 N N . GLU A 0 46 . -9.319 5.895 13.895 1.00 87.47 46 A 1 ATOM 364 C CA . GLU A 0 46 . -8.057 6.542 14.251 1.00 87.47 46 A 1 ATOM 365 C C . GLU A 0 46 . -7.718 6.313 15.731 1.00 87.47 46 A 1 ATOM 366 C CB . GLU A 0 46 . -8.116 8.035 13.898 1.00 87.47 46 A 1 ATOM 367 O O . GLU A 0 46 . -8.600 6.272 16.579 1.00 87.47 46 A 1 ATOM 368 C CG . GLU A 0 46 . -6.790 8.732 14.238 1.00 87.47 46 A 1 ATOM 369 C CD . GLU A 0 46 . -6.659 10.140 13.653 1.00 87.47 46 A 1 ATOM 370 O OE1 . GLU A 0 46 . -5.489 10.567 13.532 1.00 87.47 46 A 1 ATOM 371 O OE2 . GLU A 0 46 . -7.695 10.735 13.298 1.00 87.47 46 A 1 ATOM 372 N N . ALA A 0 47 . -6.428 6.200 16.061 1.00 86.39 47 A 1 ATOM 373 C CA . ALA A 0 47 . -5.960 5.836 17.401 1.00 86.39 47 A 1 ATOM 374 C C . ALA A 0 47 . -6.482 6.735 18.541 1.00 86.39 47 A 1 ATOM 375 C CB . ALA A 0 47 . -4.426 5.834 17.377 1.00 86.39 47 A 1 ATOM 376 O O . ALA A 0 47 . -6.540 6.278 19.677 1.00 86.39 47 A 1 ATOM 377 N N . ALA A 0 48 . -6.843 7.991 18.259 1.00 88.70 48 A 1 ATOM 378 C CA . ALA A 0 48 . -7.406 8.904 19.253 1.00 88.70 48 A 1 ATOM 379 C C . ALA A 0 48 . -8.856 8.552 19.627 1.00 88.70 48 A 1 ATOM 380 C CB . ALA A 0 48 . -7.293 10.333 18.711 1.00 88.70 48 A 1 ATOM 381 O O . ALA A 0 48 . -9.194 8.582 20.802 1.00 88.70 48 A 1 ATOM 382 N N . ALA A 0 49 . -9.668 8.150 18.647 1.00 89.62 49 A 1 ATOM 383 C CA . ALA A 0 49 . -11.090 7.859 18.826 1.00 89.62 49 A 1 ATOM 384 C C . ALA A 0 49 . -11.363 6.429 19.323 1.00 89.62 49 A 1 ATOM 385 C CB . ALA A 0 49 . -11.787 8.136 17.489 1.00 89.62 49 A 1 ATOM 386 O O . ALA A 0 49 . -12.509 6.063 19.561 1.00 89.62 49 A 1 ATOM 387 N N . VAL A 0 50 . -10.322 5.597 19.463 1.00 87.90 50 A 1 ATOM 388 C CA . VAL A 0 50 . -10.472 4.218 19.954 1.00 87.90 50 A 1 ATOM 389 C C . VAL A 0 50 . -11.090 4.209 21.350 1.00 87.90 50 A 1 ATOM 390 C CB . VAL A 0 50 . -9.125 3.469 19.940 1.00 87.90 50 A 1 ATOM 391 O O . VAL A 0 50 . -11.983 3.412 21.599 1.00 87.90 50 A 1 ATOM 392 C CG1 . VAL A 0 50 . -9.213 2.074 20.563 1.00 87.90 50 A 1 ATOM 393 C CG2 . VAL A 0 50 . -8.625 3.282 18.501 1.00 87.90 50 A 1 ATOM 394 N N . LYS A 0 51 . -10.669 5.126 22.230 1.00 86.68 51 A 1 ATOM 395 C CA . LYS A 0 51 . -11.169 5.183 23.606 1.00 86.68 51 A 1 ATOM 396 C C . LYS A 0 51 . -12.639 5.604 23.679 1.00 86.68 51 A 1 ATOM 397 C CB . LYS A 0 51 . -10.256 6.083 24.443 1.00 86.68 51 A 1 ATOM 398 O O . LYS A 0 51 . -13.420 4.928 24.332 1.00 86.68 51 A 1 ATOM 399 C CG . LYS A 0 51 . -10.737 6.086 25.895 1.00 86.68 51 A 1 ATOM 400 C CD . LYS A 0 51 . -9.683 6.633 26.854 1.00 86.68 51 A 1 ATOM 401 C CE . LYS A 0 51 . -10.358 6.621 28.225 1.00 86.68 51 A 1 ATOM 402 N NZ . LYS A 0 51 . -9.406 6.879 29.326 1.00 86.68 51 A 1 ATOM 403 N N . ASP A 0 52 . -13.014 6.654 22.953 1.00 90.41 52 A 1 ATOM 404 C CA . ASP A 0 52 . -14.399 7.142 22.940 1.00 90.41 52 A 1 ATOM 405 C C . ASP A 0 52 . -15.357 6.076 22.392 1.00 90.41 52 A 1 ATOM 406 C CB . ASP A 0 52 . -14.499 8.413 22.080 1.00 90.41 52 A 1 ATOM 407 O O . ASP A 0 52 . -16.477 5.918 22.872 1.00 90.41 52 A 1 ATOM 408 C CG . ASP A 0 52 . -13.503 9.504 22.482 1.00 90.41 52 A 1 ATOM 409 O OD1 . ASP A 0 52 . -13.238 9.660 23.694 1.00 90.41 52 A 1 ATOM 410 O OD2 . ASP A 0 52 . -12.937 10.124 21.552 1.00 90.41 52 A 1 ATOM 411 N N . LEU A 0 53 . -14.899 5.305 21.401 1.00 87.56 53 A 1 ATOM 412 C CA . LEU A 0 53 . -15.697 4.235 20.820 1.00 87.56 53 A 1 ATOM 413 C C . LEU A 0 53 . -15.786 3.006 21.731 1.00 87.56 53 A 1 ATOM 414 C CB . LEU A 0 53 . -15.138 3.905 19.432 1.00 87.56 53 A 1 ATOM 415 O O . LEU A 0 53 . -16.831 2.367 21.759 1.00 87.56 53 A 1 ATOM 416 C CG . LEU A 0 53 . -16.181 3.169 18.566 1.00 87.56 53 A 1 ATOM 417 C CD1 . LEU A 0 53 . -16.394 3.921 17.248 1.00 87.56 53 A 1 ATOM 418 C CD2 . LEU A 0 53 . -15.787 1.709 18.320 1.00 87.56 53 A 1 ATOM 419 N N . GLU A 0 54 . -14.731 2.680 22.482 1.00 87.81 54 A 1 ATOM 420 C CA . GLU A 0 54 . -14.779 1.634 23.511 1.00 87.81 54 A 1 ATOM 421 C C . GLU A 0 54 . -15.791 1.989 24.609 1.00 87.81 54 A 1 ATOM 422 C CB . GLU A 0 54 . -13.381 1.401 24.118 1.00 87.81 54 A 1 ATOM 423 O O . GLU A 0 54 . -16.628 1.146 24.938 1.00 87.81 54 A 1 ATOM 424 C CG . GLU A 0 54 . -12.463 0.558 23.215 1.00 87.81 54 A 1 ATOM 425 C CD . GLU A 0 54 . -11.010 0.454 23.727 1.00 87.81 54 A 1 ATOM 426 O OE1 . GLU A 0 54 . -10.149 -0.013 22.941 1.00 87.81 54 A 1 ATOM 427 O OE2 . GLU A 0 54 . -10.729 0.797 24.903 1.00 87.81 54 A 1 ATOM 428 N N . ASP A 0 55 . -15.763 3.231 25.105 1.00 87.76 55 A 1 ATOM 429 C CA . ASP A 0 55 . -16.648 3.720 26.172 1.00 87.76 55 A 1 ATOM 430 C C . ASP A 0 55 . -18.118 3.830 25.708 1.00 87.76 55 A 1 ATOM 431 C CB . ASP A 0 55 . -16.118 5.073 26.706 1.00 87.76 55 A 1 ATOM 432 O O . ASP A 0 55 . -19.033 3.550 26.481 1.00 87.76 55 A 1 ATOM 433 C CG . ASP A 0 55 . -14.778 5.001 27.477 1.00 87.76 55 A 1 ATOM 434 O OD1 . ASP A 0 55 . -14.409 3.910 27.976 1.00 87.76 55 A 1 ATOM 435 O OD2 . ASP A 0 55 . -14.107 6.053 27.625 1.00 87.76 55 A 1 ATOM 436 N N . ALA A 0 56 . -18.360 4.184 24.439 1.00 89.24 56 A 1 ATOM 437 C CA . ALA A 0 56 . -19.706 4.281 23.862 1.00 89.24 56 A 1 ATOM 438 C C . ALA A 0 56 . -20.271 2.946 23.331 1.00 89.24 56 A 1 ATOM 439 C CB . ALA A 0 56 . -19.674 5.345 22.757 1.00 89.24 56 A 1 ATOM 440 O O . ALA A 0 56 . -21.456 2.861 23.000 1.00 89.24 56 A 1 ATOM 441 N N . SER A 0 57 . -19.445 1.905 23.185 1.00 86.44 57 A 1 ATOM 442 C CA . SER A 0 57 . -19.873 0.636 22.586 1.00 86.44 57 A 1 ATOM 443 C C . SER A 0 57 . -20.600 -0.280 23.574 1.00 86.44 57 A 1 ATOM 444 C CB . SER A 0 57 . -18.710 -0.104 21.918 1.00 86.44 57 A 1 ATOM 445 O O . SER A 0 57 . -20.155 -0.501 24.696 1.00 86.44 57 A 1 ATOM 446 O OG . SER A 0 57 . -17.755 -0.568 22.849 1.00 86.44 57 A 1 ATOM 447 N N . VAL A 0 58 . -21.678 -0.923 23.110 1.00 88.13 58 A 1 ATOM 448 C CA . VAL A 0 58 . -22.430 -1.928 23.892 1.00 88.13 58 A 1 ATOM 449 C C . VAL A 0 58 . -21.565 -3.149 24.232 1.00 88.13 58 A 1 ATOM 450 C CB . VAL A 0 58 . -23.692 -2.372 23.120 1.00 88.13 58 A 1 ATOM 451 O O . VAL A 0 58 . -21.714 -3.756 25.286 1.00 88.13 58 A 1 ATOM 452 C CG1 . VAL A 0 58 . -24.537 -3.382 23.905 1.00 88.13 58 A 1 ATOM 453 C CG2 . VAL A 0 58 . -24.592 -1.173 22.787 1.00 88.13 58 A 1 ATOM 454 N N . TYR A 0 59 . -20.632 -3.501 23.345 1.00 83.96 59 A 1 ATOM 455 C CA . TYR A 0 59 . -19.728 -4.641 23.517 1.00 83.96 59 A 1 ATOM 456 C C . TYR A 0 59 . -18.506 -4.331 24.405 1.00 83.96 59 A 1 ATOM 457 C CB . TYR A 0 59 . -19.328 -5.156 22.128 1.00 83.96 59 A 1 ATOM 458 O O . TYR A 0 59 . -17.687 -5.223 24.654 1.00 83.96 59 A 1 ATOM 459 C CG . TYR A 0 59 . -20.495 -5.634 21.280 1.00 83.96 59 A 1 ATOM 460 C CD1 . TYR A 0 59 . -21.228 -6.770 21.677 1.00 83.96 59 A 1 ATOM 461 C CD2 . TYR A 0 59 . -20.860 -4.938 20.109 1.00 83.96 59 A 1 ATOM 462 C CE1 . TYR A 0 59 . -22.326 -7.210 20.913 1.00 83.96 59 A 1 ATOM 463 C CE2 . TYR A 0 59 . -21.957 -5.377 19.342 1.00 83.96 59 A 1 ATOM 464 O OH . TYR A 0 59 . -23.748 -6.928 18.997 1.00 83.96 59 A 1 ATOM 465 C CZ . TYR A 0 59 . -22.692 -6.512 19.743 1.00 83.96 59 A 1 ATOM 466 N N . GLY A 0 60 . -18.370 -3.087 24.881 1.00 76.70 60 A 1 ATOM 467 C CA . GLY A 0 60 . -17.240 -2.618 25.677 1.00 76.70 60 A 1 ATOM 468 C C . GLY A 0 60 . -15.879 -2.909 25.031 1.00 76.70 60 A 1 ATOM 469 O O . GLY A 0 60 . -15.724 -2.975 23.811 1.00 76.70 60 A 1 ATOM 470 N N . LYS A 0 61 . -14.868 -3.157 25.871 1.00 76.38 61 A 1 ATOM 471 C CA . LYS A 0 61 . -13.472 -3.391 25.445 1.00 76.38 61 A 1 ATOM 472 C C . LYS A 0 61 . -13.240 -4.658 24.609 1.00 76.38 61 A 1 ATOM 473 C CB . LYS A 0 61 . -12.555 -3.408 26.676 1.00 76.38 61 A 1 ATOM 474 O O . LYS A 0 61 . -12.146 -4.828 24.076 1.00 76.38 61 A 1 ATOM 475 C CG . LYS A 0 61 . -12.418 -2.011 27.288 1.00 76.38 61 A 1 ATOM 476 C CD . LYS A 0 61 . -11.480 -2.048 28.495 1.00 76.38 61 A 1 ATOM 477 C CE . LYS A 0 61 . -11.367 -0.627 29.045 1.00 76.38 61 A 1 ATOM 478 N NZ . LYS A 0 61 . -10.598 -0.601 30.309 1.00 76.38 61 A 1 ATOM 479 N N . ASN A 0 62 . -14.220 -5.556 24.487 1.00 80.73 62 A 1 ATOM 480 C CA . ASN A 0 62 . -14.032 -6.838 23.799 1.00 80.73 62 A 1 ATOM 481 C C . ASN A 0 62 . -14.285 -6.776 22.284 1.00 80.73 62 A 1 ATOM 482 C CB . ASN A 0 62 . -14.854 -7.933 24.502 1.00 80.73 62 A 1 ATOM 483 O O . ASN A 0 62 . -14.079 -7.778 21.593 1.00 80.73 62 A 1 ATOM 484 C CG . ASN A 0 62 . -14.147 -8.513 25.716 1.00 80.73 62 A 1 ATOM 485 N ND2 . ASN A 0 62 . -14.588 -9.657 26.185 1.00 80.73 62 A 1 ATOM 486 O OD1 . ASN A 0 62 . -13.192 -7.978 26.253 1.00 80.73 62 A 1 ATOM 487 N N . TYR A 0 63 . -14.702 -5.632 21.735 1.00 84.72 63 A 1 ATOM 488 C CA . TYR A 0 63 . -14.944 -5.525 20.300 1.00 84.72 63 A 1 ATOM 489 C C . TYR A 0 63 . -13.647 -5.337 19.500 1.00 84.72 63 A 1 ATOM 490 C CB . TYR A 0 63 . -15.968 -4.433 20.006 1.00 84.72 63 A 1 ATOM 491 O O . TYR A 0 63 . -12.963 -4.316 19.582 1.00 84.72 63 A 1 ATOM 492 C CG . TYR A 0 63 . -16.380 -4.415 18.548 1.00 84.72 63 A 1 ATOM 493 C CD1 . TYR A 0 63 . -15.947 -3.372 17.709 1.00 84.72 63 A 1 ATOM 494 C CD2 . TYR A 0 63 . -17.171 -5.459 18.028 1.00 84.72 63 A 1 ATOM 495 C CE1 . TYR A 0 63 . -16.320 -3.357 16.352 1.00 84.72 63 A 1 ATOM 496 C CE2 . TYR A 0 63 . -17.529 -5.460 16.666 1.00 84.72 63 A 1 ATOM 497 O OH . TYR A 0 63 . -17.486 -4.385 14.523 1.00 84.72 63 A 1 ATOM 498 C CZ . TYR A 0 63 . -17.111 -4.405 15.829 1.00 84.72 63 A 1 ATOM 499 N N . ALA A 0 64 . -13.318 -6.319 18.660 1.00 85.51 64 A 1 ATOM 500 C CA . ALA A 0 64 . -12.179 -6.226 17.758 1.00 85.51 64 A 1 ATOM 501 C C . ALA A 0 64 . -12.481 -5.265 16.597 1.00 85.51 64 A 1 ATOM 502 C CB . ALA A 0 64 . -11.798 -7.631 17.278 1.00 85.51 64 A 1 ATOM 503 O O . ALA A 0 64 . -13.204 -5.603 15.660 1.00 85.51 64 A 1 ATOM 504 N N . VAL A 0 65 . -11.872 -4.075 16.629 1.00 86.56 65 A 1 ATOM 505 C CA . VAL A 0 65 . -12.061 -3.059 15.585 1.00 86.56 65 A 1 ATOM 506 C C . VAL A 0 65 . -11.634 -3.599 14.208 1.00 86.56 65 A 1 ATOM 507 C CB . VAL A 0 65 . -11.317 -1.752 15.906 1.00 86.56 65 A 1 ATOM 508 O O . VAL A 0 65 . -10.473 -4.000 14.026 1.00 86.56 65 A 1 ATOM 509 C CG1 . VAL A 0 65 . -11.536 -0.696 14.812 1.00 86.56 65 A 1 ATOM 510 C CG2 . VAL A 0 65 . -11.794 -1.163 17.238 1.00 86.56 65 A 1 ATOM 511 N N . PRO A 0 66 . -12.532 -3.581 13.206 1.00 91.42 66 A 1 ATOM 512 C CA . PRO A 0 66 . -12.228 -4.080 11.874 1.00 91.42 66 A 1 ATOM 513 C C . PRO A 0 66 . -11.224 -3.185 11.126 1.00 91.42 66 A 1 ATOM 514 C CB . PRO A 0 66 . -13.586 -4.219 11.182 1.00 91.42 66 A 1 ATOM 515 O O . PRO A 0 66 . -11.027 -2.000 11.416 1.00 91.42 66 A 1 ATOM 516 C CG . PRO A 0 66 . -14.427 -3.140 11.862 1.00 91.42 66 A 1 ATOM 517 C CD . PRO A 0 66 . -13.932 -3.187 13.296 1.00 91.42 66 A 1 ATOM 518 N N . LYS A 0 67 . -10.553 -3.773 10.129 1.00 94.06 67 A 1 ATOM 519 C CA . LYS A 0 67 . -9.481 -3.127 9.355 1.00 94.06 67 A 1 ATOM 520 C C . LYS A 0 67 . -9.879 -2.964 7.894 1.00 94.06 67 A 1 ATOM 521 C CB . LYS A 0 67 . -8.167 -3.912 9.492 1.00 94.06 67 A 1 ATOM 522 O O . LYS A 0 67 . -10.432 -3.871 7.282 1.00 94.06 67 A 1 ATOM 523 C CG . LYS A 0 67 . -7.622 -3.867 10.927 1.00 94.06 67 A 1 ATOM 524 C CD . LYS A 0 67 . -6.412 -4.791 11.104 1.00 94.06 67 A 1 ATOM 525 C CE . LYS A 0 67 . -6.033 -4.794 12.590 1.00 94.06 67 A 1 ATOM 526 N NZ . LYS A 0 67 . -5.106 -5.900 12.933 1.00 94.06 67 A 1 ATOM 527 N N . LEU A 0 68 . -9.515 -1.824 7.318 1.00 94.43 68 A 1 ATOM 528 C CA . LEU A 0 68 . -9.613 -1.550 5.892 1.00 94.43 68 A 1 ATOM 529 C C . LEU A 0 68 . -8.380 -2.085 5.171 1.00 94.43 68 A 1 ATOM 530 C CB . LEU A 0 68 . -9.777 -0.041 5.648 1.00 94.43 68 A 1 ATOM 531 O O . LEU A 0 68 . -7.241 -1.757 5.525 1.00 94.43 68 A 1 ATOM 532 C CG . LEU A 0 68 . -11.056 0.553 6.258 1.00 94.43 68 A 1 ATOM 533 C CD1 . LEU A 0 68 . -11.070 2.064 6.043 1.00 94.43 68 A 1 ATOM 534 C CD2 . LEU A 0 68 . -12.324 -0.043 5.643 1.00 94.43 68 A 1 ATOM 535 N N . TYR A 0 69 . -8.624 -2.860 4.119 1.00 96.08 69 A 1 ATOM 536 C CA . TYR A 0 69 . -7.600 -3.405 3.238 1.00 96.08 69 A 1 ATOM 537 C C . TYR A 0 69 . -7.742 -2.780 1.860 1.00 96.08 69 A 1 ATOM 538 C CB . TYR A 0 69 . -7.717 -4.931 3.179 1.00 96.08 69 A 1 ATOM 539 O O . TYR A 0 69 . -8.639 -3.121 1.095 1.00 96.08 69 A 1 ATOM 540 C CG . TYR A 0 69 . -7.459 -5.596 4.512 1.00 96.08 69 A 1 ATOM 541 C CD1 . TYR A 0 69 . -6.149 -5.963 4.876 1.00 96.08 69 A 1 ATOM 542 C CD2 . TYR A 0 69 . -8.532 -5.838 5.391 1.00 96.08 69 A 1 ATOM 543 C CE1 . TYR A 0 69 . -5.914 -6.586 6.118 1.00 96.08 69 A 1 ATOM 544 C CE2 . TYR A 0 69 . -8.298 -6.442 6.637 1.00 96.08 69 A 1 ATOM 545 O OH . TYR A 0 69 . -6.770 -7.426 8.197 1.00 96.08 69 A 1 ATOM 546 C CZ . TYR A 0 69 . -6.993 -6.825 7.000 1.00 96.08 69 A 1 ATOM 547 N N . VAL A 0 70 . -6.834 -1.865 1.527 1.00 94.93 70 A 1 ATOM 548 C CA . VAL A 0 70 . -6.869 -1.163 0.242 1.00 94.93 70 A 1 ATOM 549 C C . VAL A 0 70 . -5.573 -1.404 -0.514 1.00 94.93 70 A 1 ATOM 550 C CB . VAL A 0 70 . -7.177 0.334 0.421 1.00 94.93 70 A 1 ATOM 551 O O . VAL A 0 70 . -4.474 -1.132 -0.021 1.00 94.93 70 A 1 ATOM 552 C CG1 . VAL A 0 70 . -7.335 1.010 -0.947 1.00 94.93 70 A 1 ATOM 553 C CG2 . VAL A 0 70 . -8.475 0.553 1.209 1.00 94.93 70 A 1 ATOM 554 N N . LYS A 0 71 . -5.693 -1.897 -1.749 1.00 94.51 71 A 1 ATOM 555 C CA . LYS A 0 71 . -4.566 -2.028 -2.675 1.00 94.51 71 A 1 ATOM 556 C C . LYS A 0 71 . -4.472 -0.783 -3.548 1.00 94.51 71 A 1 ATOM 557 C CB . LYS A 0 71 . -4.707 -3.323 -3.479 1.00 94.51 71 A 1 ATOM 558 O O . LYS A 0 71 . -5.122 -0.686 -4.585 1.00 94.51 71 A 1 ATOM 559 C CG . LYS A 0 71 . -3.457 -3.573 -4.335 1.00 94.51 71 A 1 ATOM 560 C CD . LYS A 0 71 . -3.602 -4.915 -5.051 1.00 94.51 71 A 1 ATOM 561 C CE . LYS A 0 71 . -2.343 -5.244 -5.854 1.00 94.51 71 A 1 ATOM 562 N NZ . LYS A 0 71 . -2.434 -6.625 -6.384 1.00 94.51 71 A 1 ATOM 563 N N . LEU A 0 72 . -3.616 0.149 -3.150 1.00 94.65 72 A 1 ATOM 564 C CA . LEU A 0 72 . -3.348 1.355 -3.925 1.00 94.65 72 A 1 ATOM 565 C C . LEU A 0 72 . -2.391 1.033 -5.070 1.00 94.65 72 A 1 ATOM 566 C CB . LEU A 0 72 . -2.804 2.461 -3.008 1.00 94.65 72 A 1 ATOM 567 O O . LEU A 0 72 . -1.393 0.339 -4.866 1.00 94.65 72 A 1 ATOM 568 C CG . LEU A 0 72 . -3.771 2.842 -1.872 1.00 94.65 72 A 1 ATOM 569 C CD1 . LEU A 0 72 . -3.114 3.855 -0.940 1.00 94.65 72 A 1 ATOM 570 C CD2 . LEU A 0 72 . -5.066 3.462 -2.399 1.00 94.65 72 A 1 ATOM 571 N N . GLN A 0 73 . -2.680 1.541 -6.265 1.00 95.92 73 A 1 ATOM 572 C CA . GLN A 0 73 . -1.824 1.390 -7.439 1.00 95.92 73 A 1 ATOM 573 C C . GLN A 0 73 . -1.501 2.756 -8.028 1.00 95.92 73 A 1 ATOM 574 C CB . GLN A 0 73 . -2.465 0.481 -8.494 1.00 95.92 73 A 1 ATOM 575 O O . GLN A 0 73 . -2.383 3.479 -8.480 1.00 95.92 73 A 1 ATOM 576 C CG . GLN A 0 73 . -2.690 -0.942 -7.962 1.00 95.92 73 A 1 ATOM 577 C CD . GLN A 0 73 . -2.930 -1.953 -9.072 1.00 95.92 73 A 1 ATOM 578 N NE2 . GLN A 0 73 . -3.609 -3.046 -8.803 1.00 95.92 73 A 1 ATOM 579 O OE1 . GLN A 0 73 . -2.482 -1.824 -10.191 1.00 95.92 73 A 1 ATOM 580 N N . TYR A 0 74 . -0.217 3.094 -8.050 1.00 96.65 74 A 1 ATOM 581 C CA . TYR A 0 74 . 0.264 4.381 -8.528 1.00 96.65 74 A 1 ATOM 582 C C . TYR A 0 74 . 0.968 4.261 -9.879 1.00 96.65 74 A 1 ATOM 583 C CB . TYR A 0 74 . 1.184 5.011 -7.480 1.00 96.65 74 A 1 ATOM 584 O O . TYR A 0 74 . 1.712 3.309 -10.146 1.00 96.65 74 A 1 ATOM 585 C CG . TYR A 0 74 . 0.506 5.302 -6.159 1.00 96.65 74 A 1 ATOM 586 C CD1 . TYR A 0 74 . -0.348 6.416 -6.050 1.00 96.65 74 A 1 ATOM 587 C CD2 . TYR A 0 74 . 0.728 4.469 -5.044 1.00 96.65 74 A 1 ATOM 588 C CE1 . TYR A 0 74 . -0.953 6.715 -4.818 1.00 96.65 74 A 1 ATOM 589 C CE2 . TYR A 0 74 . 0.114 4.766 -3.812 1.00 96.65 74 A 1 ATOM 590 O OH . TYR A 0 74 . -1.292 6.204 -2.509 1.00 96.65 74 A 1 ATOM 591 C CZ . TYR A 0 74 . -0.725 5.894 -3.700 1.00 96.65 74 A 1 ATOM 592 N N . CYS A 0 75 . 0.811 5.293 -10.707 1.00 95.78 75 A 1 ATOM 593 C CA . CYS A 0 75 . 1.756 5.572 -11.778 1.00 95.78 75 A 1 ATOM 594 C C . CYS A 0 75 . 3.075 6.108 -11.189 1.00 95.78 75 A 1 ATOM 595 C CB . CYS A 0 75 . 1.108 6.518 -12.799 1.00 95.78 75 A 1 ATOM 596 O O . CYS A 0 75 . 3.121 6.607 -10.064 1.00 95.78 75 A 1 ATOM 597 S SG . CYS A 0 75 . 1.008 8.203 -12.162 1.00 95.78 75 A 1 ATOM 598 N N . ILE A 0 76 . 4.166 6.028 -11.955 1.00 94.59 76 A 1 ATOM 599 C CA . ILE A 0 76 . 5.493 6.446 -11.471 1.00 94.59 76 A 1 ATOM 600 C C . ILE A 0 76 . 5.515 7.935 -11.102 1.00 94.59 76 A 1 ATOM 601 C CB . ILE A 0 76 . 6.576 6.099 -12.513 1.00 94.59 76 A 1 ATOM 602 O O . ILE A 0 76 . 6.137 8.293 -10.107 1.00 94.59 76 A 1 ATOM 603 C CG1 . ILE A 0 76 . 6.676 4.566 -12.666 1.00 94.59 76 A 1 ATOM 604 C CG2 . ILE A 0 76 . 7.952 6.678 -12.125 1.00 94.59 76 A 1 ATOM 605 C CD1 . ILE A 0 76 . 7.458 4.169 -13.914 1.00 94.59 76 A 1 ATOM 606 N N . SER A 0 77 . 4.818 8.785 -11.862 1.00 95.35 77 A 1 ATOM 607 C CA . SER A 0 77 . 4.756 10.227 -11.601 1.00 95.35 77 A 1 ATOM 608 C C . SER A 0 77 . 4.090 10.526 -10.256 1.00 95.35 77 A 1 ATOM 609 C CB . SER A 0 77 . 4.021 10.952 -12.734 1.00 95.35 77 A 1 ATOM 610 O O . SER A 0 77 . 4.695 11.186 -9.415 1.00 95.35 77 A 1 ATOM 611 O OG . SER A 0 77 . 4.587 10.606 -13.988 1.00 95.35 77 A 1 ATOM 612 N N . CYS A 0 78 . 2.904 9.960 -9.999 1.00 96.16 78 A 1 ATOM 613 C CA . CYS A 0 78 . 2.216 10.122 -8.715 1.00 96.16 78 A 1 ATOM 614 C C . CYS A 0 78 . 3.026 9.532 -7.560 1.00 96.16 78 A 1 ATOM 615 C CB . CYS A 0 78 . 0.834 9.461 -8.765 1.00 96.16 78 A 1 ATOM 616 O O . CYS A 0 78 . 3.116 10.141 -6.502 1.00 96.16 78 A 1 ATOM 617 S SG . CYS A 0 78 . -0.249 10.366 -9.901 1.00 96.16 78 A 1 ATOM 618 N N . ALA A 0 79 . 3.670 8.379 -7.758 1.00 95.72 79 A 1 ATOM 619 C CA . ALA A 0 79 . 4.460 7.760 -6.701 1.00 95.72 79 A 1 ATOM 620 C C . ALA A 0 79 . 5.678 8.609 -6.283 1.00 95.72 79 A 1 ATOM 621 C CB . ALA A 0 79 . 4.879 6.368 -7.170 1.00 95.72 79 A 1 ATOM 622 O O . ALA A 0 79 . 6.069 8.571 -5.115 1.00 95.72 79 A 1 ATOM 623 N N . ILE A 0 80 . 6.275 9.366 -7.211 1.00 95.94 80 A 1 ATOM 624 C CA . ILE A 0 80 . 7.356 10.317 -6.908 1.00 95.94 80 A 1 ATOM 625 C C . ILE A 0 80 . 6.785 11.574 -6.244 1.00 95.94 80 A 1 ATOM 626 C CB . ILE A 0 80 . 8.168 10.646 -8.183 1.00 95.94 80 A 1 ATOM 627 O O . ILE A 0 80 . 7.316 12.006 -5.224 1.00 95.94 80 A 1 ATOM 628 C CG1 . ILE A 0 80 . 8.912 9.384 -8.682 1.00 95.94 80 A 1 ATOM 629 C CG2 . ILE A 0 80 . 9.188 11.771 -7.917 1.00 95.94 80 A 1 ATOM 630 C CD1 . ILE A 0 80 . 9.461 9.520 -10.108 1.00 95.94 80 A 1 ATOM 631 N N . HIS A 0 81 . 5.683 12.116 -6.769 1.00 95.97 81 A 1 ATOM 632 C CA . HIS A 0 81 . 5.033 13.306 -6.216 1.00 95.97 81 A 1 ATOM 633 C C . HIS A 0 81 . 4.578 13.092 -4.761 1.00 95.97 81 A 1 ATOM 634 C CB . HIS A 0 81 . 3.867 13.694 -7.132 1.00 95.97 81 A 1 ATOM 635 O O . HIS A 0 81 . 4.906 13.879 -3.878 1.00 95.97 81 A 1 ATOM 636 C CG . HIS A 0 81 . 3.192 14.963 -6.691 1.00 95.97 81 A 1 ATOM 637 C CD2 . HIS A 0 81 . 2.004 15.054 -6.019 1.00 95.97 81 A 1 ATOM 638 N ND1 . HIS A 0 81 . 3.670 16.247 -6.847 1.00 95.97 81 A 1 ATOM 639 C CE1 . HIS A 0 81 . 2.786 17.090 -6.284 1.00 95.97 81 A 1 ATOM 640 N NE2 . HIS A 0 81 . 1.762 16.400 -5.764 1.00 95.97 81 A 1 ATOM 641 N N . SER A 0 82 . 3.941 11.955 -4.469 1.00 93.88 82 A 1 ATOM 642 C CA . SER A 0 82 . 3.523 11.566 -3.114 1.00 93.88 82 A 1 ATOM 643 C C . SER A 0 82 . 4.668 11.032 -2.239 1.00 93.88 82 A 1 ATOM 644 C CB . SER A 0 82 . 2.389 10.536 -3.188 1.00 93.88 82 A 1 ATOM 645 O O . SER A 0 82 . 4.414 10.479 -1.168 1.00 93.88 82 A 1 ATOM 646 O OG . SER A 0 82 . 1.328 11.002 -3.999 1.00 93.88 82 A 1 ATOM 647 N N . LYS A 0 83 . 5.930 11.140 -2.684 1.00 93.72 83 A 1 ATOM 648 C CA . LYS A 0 83 . 7.138 10.710 -1.951 1.00 93.72 83 A 1 ATOM 649 C C . LYS A 0 83 . 7.131 9.229 -1.526 1.00 93.72 83 A 1 ATOM 650 C CB . LYS A 0 83 . 7.405 11.671 -0.770 1.00 93.72 83 A 1 ATOM 651 O O . LYS A 0 83 . 7.856 8.840 -0.609 1.00 93.72 83 A 1 ATOM 652 C CG . LYS A 0 83 . 7.541 13.151 -1.178 1.00 93.72 83 A 1 ATOM 653 C CD . LYS A 0 83 . 7.640 14.078 0.047 1.00 93.72 83 A 1 ATOM 654 C CE . LYS A 0 83 . 7.712 15.549 -0.402 1.00 93.72 83 A 1 ATOM 655 N NZ . LYS A 0 83 . 7.693 16.515 0.734 1.00 93.72 83 A 1 ATOM 656 N N . VAL A 0 84 . 6.343 8.384 -2.198 1.00 91.93 84 A 1 ATOM 657 C CA . VAL A 0 84 . 6.330 6.924 -1.986 1.00 91.93 84 A 1 ATOM 658 C C . VAL A 0 84 . 7.616 6.315 -2.537 1.00 91.93 84 A 1 ATOM 659 C CB . VAL A 0 84 . 5.100 6.271 -2.653 1.00 91.93 84 A 1 ATOM 660 O O . VAL A 0 84 . 8.244 5.470 -1.901 1.00 91.93 84 A 1 ATOM 661 C CG1 . VAL A 0 84 . 5.088 4.747 -2.465 1.00 91.93 84 A 1 ATOM 662 C CG2 . VAL A 0 84 . 3.791 6.819 -2.074 1.00 91.93 84 A 1 ATOM 663 N N . LEU A 0 85 . 8.028 6.776 -3.717 1.00 91.89 85 A 1 ATOM 664 C CA . LEU A 0 85 . 9.315 6.472 -4.326 1.00 91.89 85 A 1 ATOM 665 C C . LEU A 0 85 . 10.237 7.684 -4.248 1.00 91.89 85 A 1 ATOM 666 C CB . LEU A 0 85 . 9.097 6.044 -5.781 1.00 91.89 85 A 1 ATOM 667 O O . LEU A 0 85 . 9.795 8.828 -4.284 1.00 91.89 85 A 1 ATOM 668 C CG . LEU A 0 85 . 8.664 4.579 -5.919 1.00 91.89 85 A 1 ATOM 669 C CD1 . LEU A 0 85 . 8.107 4.394 -7.318 1.00 91.89 85 A 1 ATOM 670 C CD2 . LEU A 0 85 . 9.843 3.608 -5.788 1.00 91.89 85 A 1 ATOM 671 N N . ARG A 0 86 . 11.542 7.416 -4.194 1.00 92.02 86 A 1 ATOM 672 C CA . ARG A 0 86 . 12.592 8.438 -4.150 1.00 92.02 86 A 1 ATOM 673 C C . ARG A 0 86 . 13.635 8.199 -5.237 1.00 92.02 86 A 1 ATOM 674 C CB . ARG A 0 86 . 13.217 8.473 -2.745 1.00 92.02 86 A 1 ATOM 675 O O . ARG A 0 86 . 13.861 7.060 -5.665 1.00 92.02 86 A 1 ATOM 676 C CG . ARG A 0 86 . 12.223 8.988 -1.688 1.00 92.02 86 A 1 ATOM 677 C CD . ARG A 0 86 . 12.815 8.856 -0.284 1.00 92.02 86 A 1 ATOM 678 N NE . ARG A 0 86 . 11.942 9.488 0.723 1.00 92.02 86 A 1 ATOM 679 N NH1 . ARG A 0 86 . 11.677 7.715 2.166 1.00 92.02 86 A 1 ATOM 680 N NH2 . ARG A 0 86 . 10.885 9.730 2.714 1.00 92.02 86 A 1 ATOM 681 C CZ . ARG A 0 86 . 11.499 8.970 1.852 1.00 92.02 86 A 1 ATOM 682 N N . ASN A 0 87 . 14.277 9.282 -5.671 1.00 91.91 87 A 1 ATOM 683 C CA . ASN A 0 87 . 15.515 9.222 -6.442 1.00 91.91 87 A 1 ATOM 684 C C . ASN A 0 87 . 16.569 8.429 -5.641 1.00 91.91 87 A 1 ATOM 685 C CB . ASN A 0 87 . 15.961 10.663 -6.755 1.00 91.91 87 A 1 ATOM 686 O O . ASN A 0 87 . 16.703 8.606 -4.437 1.00 91.91 87 A 1 ATOM 687 C CG . ASN A 0 87 . 17.326 10.771 -7.415 1.00 91.91 87 A 1 ATOM 688 N ND2 . ASN A 0 87 . 17.839 11.966 -7.562 1.00 91.91 87 A 1 ATOM 689 O OD1 . ASN A 0 87 . 17.913 9.786 -7.843 1.00 91.91 87 A 1 ATOM 690 N N . ARG A 0 88 . 17.282 7.527 -6.318 1.00 91.72 88 A 1 ATOM 691 C CA . ARG A 0 88 . 18.352 6.692 -5.763 1.00 91.72 88 A 1 ATOM 692 C C . ARG A 0 88 . 19.591 6.792 -6.652 1.00 91.72 88 A 1 ATOM 693 C CB . ARG A 0 88 . 17.855 5.240 -5.612 1.00 91.72 88 A 1 ATOM 694 O O . ARG A 0 88 . 19.439 6.884 -7.882 1.00 91.72 88 A 1 ATOM 695 C CG . ARG A 0 88 . 17.002 5.047 -4.348 1.00 91.72 88 A 1 ATOM 696 C CD . ARG A 0 88 . 16.783 3.561 -4.025 1.00 91.72 88 A 1 ATOM 697 N NE . ARG A 0 88 . 15.818 2.899 -4.932 1.00 91.72 88 A 1 ATOM 698 N NH1 . ARG A 0 88 . 16.503 0.742 -4.523 1.00 91.72 88 A 1 ATOM 699 N NH2 . ARG A 0 88 . 14.668 1.081 -5.708 1.00 91.72 88 A 1 ATOM 700 C CZ . ARG A 0 88 . 15.672 1.587 -5.049 1.00 91.72 88 A 1 ATOM 701 N N . SER A 0 89 . 20.780 6.717 -6.048 1.00 93.49 89 A 1 ATOM 702 C CA . SER A 0 89 . 22.083 6.649 -6.734 1.00 93.49 89 A 1 ATOM 703 C C . SER A 0 89 . 22.179 5.445 -7.687 1.00 93.49 89 A 1 ATOM 704 C CB . SER A 0 89 . 23.238 6.633 -5.713 1.00 93.49 89 A 1 ATOM 705 O O . SER A 0 89 . 21.341 4.537 -7.663 1.00 93.49 89 A 1 ATOM 706 O OG . SER A 0 89 . 23.296 5.396 -5.021 1.00 93.49 89 A 1 ATOM 707 N N . ARG A 0 90 . 23.174 5.430 -8.586 1.00 91.17 90 A 1 ATOM 708 C CA . ARG A 0 90 . 23.323 4.368 -9.604 1.00 91.17 90 A 1 ATOM 709 C C . ARG A 0 90 . 23.404 2.973 -8.975 1.00 91.17 90 A 1 ATOM 710 C CB . ARG A 0 90 . 24.558 4.666 -10.475 1.00 91.17 90 A 1 ATOM 711 O O . ARG A 0 90 . 22.733 2.060 -9.458 1.00 91.17 90 A 1 ATOM 712 C CG . ARG A 0 90 . 24.742 3.669 -11.635 1.00 91.17 90 A 1 ATOM 713 C CD . ARG A 0 90 . 25.977 4.043 -12.468 1.00 91.17 90 A 1 ATOM 714 N NE . ARG A 0 90 . 26.229 3.097 -13.578 1.00 91.17 90 A 1 ATOM 715 N NH1 . ARG A 0 90 . 28.319 3.892 -14.143 1.00 91.17 90 A 1 ATOM 716 N NH2 . ARG A 0 90 . 27.479 2.174 -15.263 1.00 91.17 90 A 1 ATOM 717 C CZ . ARG A 0 90 . 27.334 3.061 -14.316 1.00 91.17 90 A 1 ATOM 718 N N . GLU A 0 91 . 24.162 2.840 -7.896 1.00 91.53 91 A 1 ATOM 719 C CA . GLU A 0 91 . 24.383 1.582 -7.177 1.00 91.53 91 A 1 ATOM 720 C C . GLU A 0 91 . 23.168 1.192 -6.338 1.00 91.53 91 A 1 ATOM 721 C CB . GLU A 0 91 . 25.611 1.745 -6.286 1.00 91.53 91 A 1 ATOM 722 O O . GLU A 0 91 . 22.630 0.093 -6.489 1.00 91.53 91 A 1 ATOM 723 C CG . GLU A 0 91 . 26.863 1.972 -7.143 1.00 91.53 91 A 1 ATOM 724 C CD . GLU A 0 91 . 28.090 2.304 -6.301 1.00 91.53 91 A 1 ATOM 725 O OE1 . GLU A 0 91 . 29.167 2.279 -6.922 1.00 91.53 91 A 1 ATOM 726 O OE2 . GLU A 0 91 . 27.884 2.628 -5.113 1.00 91.53 91 A 1 ATOM 727 N N . SER A 0 92 . 22.626 2.132 -5.557 1.00 91.36 92 A 1 ATOM 728 C CA . SER A 0 92 . 21.464 1.877 -4.694 1.00 91.36 92 A 1 ATOM 729 C C . SER A 0 92 . 20.185 1.529 -5.467 1.00 91.36 92 A 1 ATOM 730 C CB . SER A 0 92 . 21.212 3.063 -3.761 1.00 91.36 92 A 1 ATOM 731 O O . SER A 0 92 . 19.265 0.936 -4.902 1.00 91.36 92 A 1 ATOM 732 O OG . SER A 0 92 . 20.912 4.211 -4.522 1.00 91.36 92 A 1 ATOM 733 N N . ARG A 0 93 . 20.102 1.819 -6.777 1.00 90.59 93 A 1 ATOM 734 C CA . ARG A 0 93 . 19.016 1.335 -7.657 1.00 90.59 93 A 1 ATOM 735 C C . ARG A 0 93 . 19.017 -0.182 -7.855 1.00 90.59 93 A 1 ATOM 736 C CB . ARG A 0 93 . 19.120 1.995 -9.038 1.00 90.59 93 A 1 ATOM 737 O O . ARG A 0 93 . 17.967 -0.715 -8.221 1.00 90.59 93 A 1 ATOM 738 C CG . ARG A 0 93 . 18.652 3.451 -9.048 1.00 90.59 93 A 1 ATOM 739 C CD . ARG A 0 93 . 19.095 4.106 -10.361 1.00 90.59 93 A 1 ATOM 740 N NE . ARG A 0 93 . 18.961 5.568 -10.296 1.00 90.59 93 A 1 ATOM 741 N NH1 . ARG A 0 93 . 20.037 6.069 -12.263 1.00 90.59 93 A 1 ATOM 742 N NH2 . ARG A 0 93 . 19.415 7.709 -10.865 1.00 90.59 93 A 1 ATOM 743 C CZ . ARG A 0 93 . 19.468 6.440 -11.144 1.00 90.59 93 A 1 ATOM 744 N N . ARG A 0 94 . 20.160 -0.858 -7.687 1.00 89.57 94 A 1 ATOM 745 C CA . ARG A 0 94 . 20.274 -2.322 -7.823 1.00 89.57 94 A 1 ATOM 746 C C . ARG A 0 94 . 19.705 -3.044 -6.600 1.00 89.57 94 A 1 ATOM 747 C CB . ARG A 0 94 . 21.737 -2.733 -8.073 1.00 89.57 94 A 1 ATOM 748 O O . ARG A 0 94 . 19.153 -4.130 -6.757 1.00 89.57 94 A 1 ATOM 749 C CG . ARG A 0 94 . 22.305 -2.199 -9.402 1.00 89.57 94 A 1 ATOM 750 C CD . ARG A 0 94 . 23.757 -2.665 -9.589 1.00 89.57 94 A 1 ATOM 751 N NE . ARG A 0 94 . 24.331 -2.240 -10.885 1.00 89.57 94 A 1 ATOM 752 N NH1 . ARG A 0 94 . 26.455 -3.071 -10.539 1.00 89.57 94 A 1 ATOM 753 N NH2 . ARG A 0 94 . 25.983 -2.075 -12.461 1.00 89.57 94 A 1 ATOM 754 C CZ . ARG A 0 94 . 25.579 -2.462 -11.283 1.00 89.57 94 A 1 ATOM 755 N N . LEU A 0 95 . 19.752 -2.409 -5.426 1.00 89.90 95 A 1 ATOM 756 C CA . LEU A 0 95 . 19.164 -2.927 -4.192 1.00 89.90 95 A 1 ATOM 757 C C . LEU A 0 95 . 17.634 -3.016 -4.318 1.00 89.90 95 A 1 ATOM 758 C CB . LEU A 0 95 . 19.582 -2.044 -3.000 1.00 89.90 95 A 1 ATOM 759 O O . LEU A 0 95 . 16.944 -2.012 -4.527 1.00 89.90 95 A 1 ATOM 760 C CG . LEU A 0 95 . 21.095 -2.038 -2.697 1.00 89.90 95 A 1 ATOM 761 C CD1 . LEU A 0 95 . 21.405 -0.963 -1.659 1.00 89.90 95 A 1 ATOM 762 C CD2 . LEU A 0 95 . 21.567 -3.389 -2.157 1.00 89.90 95 A 1 ATOM 763 N N . ARG A 0 96 . 17.099 -4.235 -4.191 1.00 85.86 96 A 1 ATOM 764 C CA . ARG A 0 96 . 15.652 -4.527 -4.237 1.00 85.86 96 A 1 ATOM 765 C C . ARG A 0 96 . 15.026 -4.774 -2.864 1.00 85.86 96 A 1 ATOM 766 C CB . ARG A 0 96 . 15.370 -5.709 -5.175 1.00 85.86 96 A 1 ATOM 767 O O . ARG A 0 96 . 13.849 -5.105 -2.799 1.00 85.86 96 A 1 ATOM 768 C CG . ARG A 0 96 . 15.729 -5.412 -6.633 1.00 85.86 96 A 1 ATOM 769 C CD . ARG A 0 96 . 15.248 -6.578 -7.497 1.00 85.86 96 A 1 ATOM 770 N NE . ARG A 0 96 . 15.659 -6.416 -8.901 1.00 85.86 96 A 1 ATOM 771 N NH1 . ARG A 0 96 . 14.713 -8.369 -9.658 1.00 85.86 96 A 1 ATOM 772 N NH2 . ARG A 0 96 . 15.926 -7.115 -11.048 1.00 85.86 96 A 1 ATOM 773 C CZ . ARG A 0 96 . 15.423 -7.294 -9.858 1.00 85.86 96 A 1 ATOM 774 N N . ARG A 0 97 . 15.796 -4.618 -1.784 1.00 86.89 97 A 1 ATOM 775 C CA . ARG A 0 97 . 15.297 -4.783 -0.415 1.00 86.89 97 A 1 ATOM 776 C C . ARG A 0 97 . 14.223 -3.731 -0.115 1.00 86.89 97 A 1 ATOM 777 C CB . ARG A 0 97 . 16.458 -4.741 0.597 1.00 86.89 97 A 1 ATOM 778 O O . ARG A 0 97 . 14.346 -2.577 -0.534 1.00 86.89 97 A 1 ATOM 779 C CG . ARG A 0 97 . 17.444 -5.911 0.407 1.00 86.89 97 A 1 ATOM 780 C CD . ARG A 0 97 . 18.536 -5.917 1.488 1.00 86.89 97 A 1 ATOM 781 N NE . ARG A 0 97 . 19.493 -7.031 1.310 1.00 86.89 97 A 1 ATOM 782 N NH1 . ARG A 0 97 . 20.783 -6.639 3.182 1.00 86.89 97 A 1 ATOM 783 N NH2 . ARG A 0 97 . 21.288 -8.343 1.850 1.00 86.89 97 A 1 ATOM 784 C CZ . ARG A 0 97 . 20.510 -7.329 2.110 1.00 86.89 97 A 1 ATOM 785 N N . ILE A 0 98 . 13.168 -4.145 0.585 1.00 82.01 98 A 1 ATOM 786 C CA . ILE A 0 98 . 12.115 -3.245 1.062 1.00 82.01 98 A 1 ATOM 787 C C . ILE A 0 98 . 12.682 -2.464 2.246 1.00 82.01 98 A 1 ATOM 788 C CB . ILE A 0 98 . 10.831 -4.023 1.436 1.00 82.01 98 A 1 ATOM 789 O O . ILE A 0 98 . 13.204 -3.051 3.187 1.00 82.01 98 A 1 ATOM 790 C CG1 . ILE A 0 98 . 10.268 -4.752 0.192 1.00 82.01 98 A 1 ATOM 791 C CG2 . ILE A 0 98 . 9.772 -3.072 2.031 1.00 82.01 98 A 1 ATOM 792 C CD1 . ILE A 0 98 . 9.114 -5.715 0.496 1.00 82.01 98 A 1 ATOM 793 N N . ILE A 0 99 . 12.580 -1.137 2.194 1.00 77.86 99 A 1 ATOM 794 C CA . ILE A 0 99 . 12.942 -0.282 3.324 1.00 77.86 99 A 1 ATOM 795 C C . ILE A 0 99 . 11.756 -0.299 4.286 1.00 77.86 99 A 1 ATOM 796 C CB . ILE A 0 99 . 13.318 1.143 2.859 1.00 77.86 99 A 1 ATOM 797 O O . ILE A 0 99 . 10.736 0.345 4.031 1.00 77.86 99 A 1 ATOM 798 C CG1 . ILE A 0 99 . 14.486 1.107 1.844 1.00 77.86 99 A 1 ATOM 799 C CG2 . ILE A 0 99 . 13.693 2.003 4.082 1.00 77.86 99 A 1 ATOM 800 C CD1 . ILE A 0 99 . 14.735 2.449 1.144 1.00 77.86 99 A 1 ATOM 801 N N . VAL A 0 100 . 11.872 -1.066 5.366 1.00 78.27 100 A 1 ATOM 802 C CA . VAL A 0 100 . 10.880 -1.080 6.441 1.00 78.27 100 A 1 ATOM 803 C C . VAL A 0 100 . 11.218 0.069 7.383 1.00 78.27 100 A 1 ATOM 804 C CB . VAL A 0 100 . 10.841 -2.442 7.163 1.00 78.27 100 A 1 ATOM 805 O O . VAL A 0 100 . 12.320 0.125 7.922 1.00 78.27 100 A 1 ATOM 806 C CG1 . VAL A 0 100 . 9.682 -2.490 8.167 1.00 78.27 100 A 1 ATOM 807 C CG2 . VAL A 0 100 . 10.637 -3.592 6.165 1.00 78.27 100 A 1 ATOM 808 N N . LYS A 0 101 . 10.294 1.020 7.559 1.00 73.30 101 A 1 ATOM 809 C CA . LYS A 0 101 . 10.439 2.000 8.641 1.00 73.30 101 A 1 ATOM 810 C C . LYS A 0 101 . 10.249 1.260 9.970 1.00 73.30 101 A 1 ATOM 811 C CB . LYS A 0 101 . 9.428 3.147 8.531 1.00 73.30 101 A 1 ATOM 812 O O . LYS A 0 101 . 9.247 0.547 10.082 1.00 73.30 101 A 1 ATOM 813 C CG . LYS A 0 101 . 9.758 4.145 7.411 1.00 73.30 101 A 1 ATOM 814 C CD . LYS A 0 101 . 8.803 5.340 7.528 1.00 73.30 101 A 1 ATOM 815 C CE . LYS A 0 101 . 9.112 6.445 6.514 1.00 73.30 101 A 1 ATOM 816 N NZ . LYS A 0 101 . 8.312 7.660 6.831 1.00 73.30 101 A 1 ATOM 817 N N . PRO A 0 102 . 11.145 1.422 10.958 1.00 75.49 102 A 1 ATOM 818 C CA . PRO A 0 102 . 10.906 0.876 12.284 1.00 75.49 102 A 1 ATOM 819 C C . PRO A 0 102 . 9.590 1.450 12.819 1.00 75.49 102 A 1 ATOM 820 C CB . PRO A 0 102 . 12.129 1.254 13.128 1.00 75.49 102 A 1 ATOM 821 O O . PRO A 0 102 . 9.314 2.644 12.668 1.00 75.49 102 A 1 ATOM 822 C CG . PRO A 0 102 . 12.710 2.473 12.413 1.00 75.49 102 A 1 ATOM 823 C CD . PRO A 0 102 . 12.350 2.240 10.947 1.00 75.49 102 A 1 ATOM 824 N N . ARG A 0 103 . 8.741 0.589 13.390 1.00 68.89 103 A 1 ATOM 825 C CA . ARG A 0 103 . 7.534 1.047 14.082 1.00 68.89 103 A 1 ATOM 826 C C . ARG A 0 103 . 7.985 1.666 15.395 1.00 68.89 103 A 1 ATOM 827 C CB . ARG A 0 103 . 6.531 -0.089 14.332 1.00 68.89 103 A 1 ATOM 828 O O . ARG A 0 103 . 8.148 0.960 16.382 1.00 68.89 103 A 1 ATOM 829 C CG . ARG A 0 103 . 5.923 -0.680 13.055 1.00 68.89 103 A 1 ATOM 830 C CD . ARG A 0 103 . 4.761 -1.604 13.444 1.00 68.89 103 A 1 ATOM 831 N NE . ARG A 0 103 . 4.438 -2.570 12.377 1.00 68.89 103 A 1 ATOM 832 N NH1 . ARG A 0 103 . 2.382 -3.224 13.174 1.00 68.89 103 A 1 ATOM 833 N NH2 . ARG A 0 103 . 3.274 -4.278 11.424 1.00 68.89 103 A 1 ATOM 834 C CZ . ARG A 0 103 . 3.368 -3.345 12.329 1.00 68.89 103 A 1 ATOM 835 N N . VAL A 0 104 . 8.221 2.970 15.389 1.00 70.74 104 A 1 ATOM 836 C CA . VAL A 0 104 . 8.432 3.713 16.628 1.00 70.74 104 A 1 ATOM 837 C C . VAL A 0 104 . 7.092 3.688 17.363 1.00 70.74 104 A 1 ATOM 838 C CB . VAL A 0 104 . 8.953 5.152 16.389 1.00 70.74 104 A 1 ATOM 839 O O . VAL A 0 104 . 6.123 4.290 16.897 1.00 70.74 104 A 1 ATOM 840 C CG1 . VAL A 0 104 . 9.967 5.506 17.481 1.00 70.74 104 A 1 ATOM 841 C CG2 . VAL A 0 104 . 9.644 5.353 15.028 1.00 70.74 104 A 1 ATOM 842 N N . LYS A 0 105 . 6.987 2.911 18.447 1.00 63.11 105 A 1 ATOM 843 C CA . LYS A 0 105 . 5.860 3.048 19.374 1.00 63.11 105 A 1 ATOM 844 C C . LYS A 0 105 . 6.029 4.426 19.999 1.00 63.11 105 A 1 ATOM 845 C CB . LYS A 0 105 . 5.858 1.949 20.454 1.00 63.11 105 A 1 ATOM 846 O O . LYS A 0 105 . 6.973 4.636 20.749 1.00 63.11 105 A 1 ATOM 847 C CG . LYS A 0 105 . 5.363 0.579 19.957 1.00 63.11 105 A 1 ATOM 848 C CD . LYS A 0 105 . 5.307 -0.415 21.132 1.00 63.11 105 A 1 ATOM 849 C CE . LYS A 0 105 . 4.779 -1.797 20.718 1.00 63.11 105 A 1 ATOM 850 N NZ . LYS A 0 105 . 4.720 -2.725 21.883 1.00 63.11 105 A 1 ATOM 851 N N . PHE A 0 106 . 5.172 5.372 19.631 1.00 65.10 106 A 1 ATOM 852 C CA . PHE A 0 106 . 5.139 6.671 20.287 1.00 65.10 106 A 1 ATOM 853 C C . PHE A 0 106 . 4.584 6.450 21.697 1.00 65.10 106 A 1 ATOM 854 C CB . PHE A 0 106 . 4.325 7.659 19.438 1.00 65.10 106 A 1 ATOM 855 O O . PHE A 0 106 . 3.372 6.469 21.907 1.00 65.10 106 A 1 ATOM 856 C CG . PHE A 0 106 . 4.471 9.104 19.874 1.00 65.10 106 A 1 ATOM 857 C CD1 . PHE A 0 106 . 3.573 9.669 20.800 1.00 65.10 106 A 1 ATOM 858 C CD2 . PHE A 0 106 . 5.518 9.889 19.351 1.00 65.10 106 A 1 ATOM 859 C CE1 . PHE A 0 106 . 3.717 11.013 21.191 1.00 65.10 106 A 1 ATOM 860 C CE2 . PHE A 0 106 . 5.661 11.231 19.744 1.00 65.10 106 A 1 ATOM 861 C CZ . PHE A 0 106 . 4.759 11.793 20.662 1.00 65.10 106 A 1 ATOM 862 N N . SER A 0 107 . 5.458 6.129 22.650 1.00 67.79 107 A 1 ATOM 863 C CA . SER A 0 107 . 5.114 6.157 24.065 1.00 67.79 107 A 1 ATOM 864 C C . SER A 0 107 . 4.904 7.620 24.428 1.00 67.79 107 A 1 ATOM 865 C CB . SER A 0 107 . 6.220 5.515 24.913 1.00 67.79 107 A 1 ATOM 866 O O . SER A 0 107 . 5.864 8.388 24.479 1.00 67.79 107 A 1 ATOM 867 O OG . SER A 0 107 . 7.489 6.019 24.545 1.00 67.79 107 A 1 ATOM 868 N N . ARG A 0 108 . 3.645 8.023 24.631 1.00 62.65 108 A 1 ATOM 869 C CA . ARG A 0 108 . 3.372 9.303 25.287 1.00 62.65 108 A 1 ATOM 870 C C . ARG A 0 108 . 4.050 9.244 26.664 1.00 62.65 108 A 1 ATOM 871 C CB . ARG A 0 108 . 1.861 9.552 25.431 1.00 62.65 108 A 1 ATOM 872 O O . ARG A 0 108 . 3.896 8.214 27.325 1.00 62.65 108 A 1 ATOM 873 C CG . ARG A 0 108 . 1.155 9.730 24.077 1.00 62.65 108 A 1 ATOM 874 C CD . ARG A 0 108 . -0.336 10.032 24.277 1.00 62.65 108 A 1 ATOM 875 N NE . ARG A 0 108 . -1.048 10.183 22.990 1.00 62.65 108 A 1 ATOM 876 N NH1 . ARG A 0 108 . -3.091 10.806 23.849 1.00 62.65 108 A 1 ATOM 877 N NH2 . ARG A 0 108 . -2.842 10.628 21.647 1.00 62.65 108 A 1 ATOM 878 C CZ . ARG A 0 108 . -2.316 10.535 22.837 1.00 62.65 108 A 1 ATOM 879 N N . PRO A 0 109 . 4.804 10.270 27.089 1.00 66.99 109 A 1 ATOM 880 C CA . PRO A 0 109 . 5.262 10.332 28.468 1.00 66.99 109 A 1 ATOM 881 C C . PRO A 0 109 . 4.014 10.332 29.353 1.00 66.99 109 A 1 ATOM 882 C CB . PRO A 0 109 . 6.106 11.606 28.575 1.00 66.99 109 A 1 ATOM 883 O O . PRO A 0 109 . 3.163 11.213 29.241 1.00 66.99 109 A 1 ATOM 884 C CG . PRO A 0 109 . 5.590 12.489 27.438 1.00 66.99 109 A 1 ATOM 885 C CD . PRO A 0 109 . 5.125 11.495 26.376 1.00 66.99 109 A 1 ATOM 886 N N . VAL A 0 110 . 3.848 9.273 30.142 1.00 66.30 110 A 1 ATOM 887 C CA . VAL A 0 110 . 2.772 9.189 31.129 1.00 66.30 110 A 1 ATOM 888 C C . VAL A 0 110 . 3.231 10.060 32.296 1.00 66.30 110 A 1 ATOM 889 C CB . VAL A 0 110 . 2.482 7.740 31.587 1.00 66.30 110 A 1 ATOM 890 O O . VAL A 0 110 . 4.339 9.822 32.784 1.00 66.30 110 A 1 ATOM 891 C CG1 . VAL A 0 110 . 1.012 7.617 32.006 1.00 66.30 110 A 1 ATOM 892 C CG2 . VAL A 0 110 . 2.744 6.687 30.497 1.00 66.30 110 A 1 ATOM 893 N N . PRO A 0 111 . 2.473 11.087 32.715 1.00 66.14 111 A 1 ATOM 894 C CA . PRO A 0 111 . 2.859 11.860 33.887 1.00 66.14 111 A 1 ATOM 895 C C . PRO A 0 111 . 2.943 10.918 35.100 1.00 66.14 111 A 1 ATOM 896 C CB . PRO A 0 111 . 1.798 12.953 34.041 1.00 66.14 111 A 1 ATOM 897 O O . PRO A 0 111 . 2.139 9.979 35.184 1.00 66.14 111 A 1 ATOM 898 C CG . PRO A 0 111 . 0.572 12.364 33.342 1.00 66.14 111 A 1 ATOM 899 C CD . PRO A 0 111 . 1.170 11.508 32.226 1.00 66.14 111 A 1 ATOM 900 N N . PRO A 0 112 . 3.916 11.116 36.009 1.00 72.28 112 A 1 ATOM 901 C CA . PRO A 0 112 . 3.982 10.328 37.230 1.00 72.28 112 A 1 ATOM 902 C C . PRO A 0 112 . 2.655 10.487 37.974 1.00 72.28 112 A 1 ATOM 903 C CB . PRO A 0 112 . 5.185 10.862 38.016 1.00 72.28 112 A 1 ATOM 904 O O . PRO A 0 112 . 2.135 11.598 38.091 1.00 72.28 112 A 1 ATOM 905 C CG . PRO A 0 112 . 5.334 12.298 37.513 1.00 72.28 112 A 1 ATOM 906 C CD . PRO A 0 112 . 4.870 12.216 36.060 1.00 72.28 112 A 1 ATOM 907 N N . LYS A 0 113 . 2.072 9.368 38.416 1.00 67.08 113 A 1 ATOM 908 C CA . LYS A 0 113 . 0.936 9.421 39.336 1.00 67.08 113 A 1 ATOM 909 C C . LYS A 0 113 . 1.433 10.114 40.606 1.00 67.08 113 A 1 ATOM 910 C CB . LYS A 0 113 . 0.397 8.018 39.646 1.00 67.08 113 A 1 ATOM 911 O O . LYS A 0 113 . 2.435 9.666 41.159 1.00 67.08 113 A 1 ATOM 912 C CG . LYS A 0 113 . -0.410 7.424 38.481 1.00 67.08 113 A 1 ATOM 913 C CD . LYS A 0 113 . -0.970 6.057 38.894 1.00 67.08 113 A 1 ATOM 914 C CE . LYS A 0 113 . -1.886 5.477 37.813 1.00 67.08 113 A 1 ATOM 915 N NZ . LYS A 0 113 . -2.476 4.195 38.273 1.00 67.08 113 A 1 ATOM 916 N N . ALA A 0 114 . 0.782 11.223 40.958 1.00 63.09 114 A 1 ATOM 917 C CA . ALA A 0 114 . 0.952 11.885 42.245 1.00 63.09 114 A 1 ATOM 918 C C . ALA A 0 114 . 0.601 10.929 43.391 1.00 63.09 114 A 1 ATOM 919 C CB . ALA A 0 114 . 0.095 13.159 42.269 1.00 63.09 114 A 1 ATOM 920 O O . ALA A 0 114 . -0.263 10.045 43.162 1.00 63.09 114 A 1 ATOM 921 O OXT . ALA A 0 114 . 1.222 11.120 44.452 1.00 63.09 114 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 87.91 # loop_ _atom_type.symbol C N O S #