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 VAL 0 3 SER 0 4 LYS 0 5 VAL 0 6 ASN 0 7 SER 0 8 LYS 0 9 THR 0 10 GLN 0 11 PHE 0 12 VAL 0 13 SER 0 14 ASN 0 15 TYR 0 16 GLU 0 17 ILE 0 18 PHE 0 19 LEU 0 20 LYS 0 21 ALA 0 22 LEU 0 23 LYS 0 24 MET 0 25 GLU 0 26 SER 0 27 VAL 0 28 PHE 0 29 ASP 0 30 ASP 0 31 LYS 0 32 ASN 0 33 ASP 0 34 PHE 0 35 LEU 0 36 ASP 0 37 VAL 0 38 VAL 0 39 TYR 0 40 TRP 0 41 PHE 0 42 ARG 0 43 GLN 0 44 VAL 0 45 PHE 0 46 ALA 0 47 ILE 0 48 ILE 0 49 VAL 0 50 GLY 0 51 VAL 0 52 VAL 0 53 TRP 0 54 GLY 0 55 VAL 0 56 ALA 0 57 SER 0 58 PHE 0 59 THR 0 60 GLY 0 61 PHE 0 62 MET 0 63 ALA 0 64 ILE 0 65 LEU 0 66 MET 0 67 PHE 0 68 PHE 0 69 VAL 0 70 THR 0 71 ASN 0 72 ILE 0 73 CYS 0 74 PHE 0 75 VAL 0 76 TYR 0 77 ALA 0 78 TYR 0 79 ALA 0 80 ALA 0 81 ILE 0 82 TYR 0 83 GLN 0 84 ARG 0 85 VAL 0 86 ASP 0 87 GLU 0 88 ASP 0 89 GLU 0 90 TYR 0 91 GLY 0 92 GLY 0 93 TYR 0 94 GLY 0 95 GLU 0 96 ILE 0 97 ILE 0 98 LYS 0 99 GLU 0 100 GLY 0 101 LEU 0 102 MET 0 103 THR 0 104 ALA 0 105 PHE 0 106 ALA 0 107 CYS 0 108 PHE 0 109 MET 0 110 VAL 0 111 SER 0 112 TRP 0 113 ILE 0 114 LEU 0 115 THR 0 116 TYR 0 117 ASP 0 118 CYS 0 119 ALA 0 120 HIS 0 121 GLY 0 122 VAL 0 123 ASN 0 124 SER 0 125 THR 0 126 THR 0 127 TRP # 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 . 0.349 -4.436 36.891 1.00 38.50 1 A 1 ATOM 2 C CA . MET A 0 1 . 0.551 -5.696 36.147 1.00 38.50 1 A 1 ATOM 3 C C . MET A 0 1 . 0.589 -5.347 34.672 1.00 38.50 1 A 1 ATOM 4 C CB . MET A 0 1 . -0.592 -6.697 36.405 1.00 38.50 1 A 1 ATOM 5 O O . MET A 0 1 . -0.452 -5.017 34.126 1.00 38.50 1 A 1 ATOM 6 C CG . MET A 0 1 . -0.507 -7.394 37.764 1.00 38.50 1 A 1 ATOM 7 S SD . MET A 0 1 . -1.942 -8.447 38.082 1.00 38.50 1 A 1 ATOM 8 C CE . MET A 0 1 . -1.633 -8.915 39.805 1.00 38.50 1 A 1 ATOM 9 N N . VAL A 0 2 . 1.765 -5.343 34.041 1.00 52.63 2 A 1 ATOM 10 C CA . VAL A 0 2 . 1.832 -5.285 32.575 1.00 52.63 2 A 1 ATOM 11 C C . VAL A 0 2 . 1.418 -6.673 32.109 1.00 52.63 2 A 1 ATOM 12 C CB . VAL A 0 2 . 3.230 -4.875 32.069 1.00 52.63 2 A 1 ATOM 13 O O . VAL A 0 2 . 2.193 -7.622 32.223 1.00 52.63 2 A 1 ATOM 14 C CG1 . VAL A 0 2 . 3.295 -4.852 30.537 1.00 52.63 2 A 1 ATOM 15 C CG2 . VAL A 0 2 . 3.585 -3.472 32.579 1.00 52.63 2 A 1 ATOM 16 N N . SER A 0 3 . 0.146 -6.815 31.731 1.00 55.16 3 A 1 ATOM 17 C CA . SER A 0 3 . -0.348 -8.039 31.112 1.00 55.16 3 A 1 ATOM 18 C C . SER A 0 3 . 0.555 -8.317 29.921 1.00 55.16 3 A 1 ATOM 19 C CB . SER A 0 3 . -1.802 -7.886 30.659 1.00 55.16 3 A 1 ATOM 20 O O . SER A 0 3 . 0.665 -7.500 29.008 1.00 55.16 3 A 1 ATOM 21 O OG . SER A 0 3 . -2.239 -9.097 30.078 1.00 55.16 3 A 1 ATOM 22 N N . LYS A 0 4 . 1.269 -9.439 29.975 1.00 57.30 4 A 1 ATOM 23 C CA . LYS A 0 4 . 2.055 -9.957 28.865 1.00 57.30 4 A 1 ATOM 24 C C . LYS A 0 4 . 1.031 -10.415 27.833 1.00 57.30 4 A 1 ATOM 25 C CB . LYS A 0 4 . 2.977 -11.060 29.419 1.00 57.30 4 A 1 ATOM 26 O O . LYS A 0 4 . 0.650 -11.583 27.831 1.00 57.30 4 A 1 ATOM 27 C CG . LYS A 0 4 . 4.192 -11.372 28.537 1.00 57.30 4 A 1 ATOM 28 C CD . LYS A 0 4 . 5.064 -12.429 29.235 1.00 57.30 4 A 1 ATOM 29 C CE . LYS A 0 4 . 6.405 -12.606 28.517 1.00 57.30 4 A 1 ATOM 30 N NZ . LYS A 0 4 . 7.269 -13.592 29.213 1.00 57.30 4 A 1 ATOM 31 N N . VAL A 0 5 . 0.490 -9.466 27.066 1.00 60.52 5 A 1 ATOM 32 C CA . VAL A 0 5 . -0.505 -9.737 26.031 1.00 60.52 5 A 1 ATOM 33 C C . VAL A 0 5 . 0.104 -10.809 25.138 1.00 60.52 5 A 1 ATOM 34 C CB . VAL A 0 5 . -0.904 -8.474 25.245 1.00 60.52 5 A 1 ATOM 35 O O . VAL A 0 5 . 1.165 -10.628 24.543 1.00 60.52 5 A 1 ATOM 36 C CG1 . VAL A 0 5 . -1.948 -8.823 24.182 1.00 60.52 5 A 1 ATOM 37 C CG2 . VAL A 0 5 . -1.540 -7.423 26.165 1.00 60.52 5 A 1 ATOM 38 N N . ASN A 0 6 . -0.509 -11.988 25.172 1.00 69.19 6 A 1 ATOM 39 C CA . ASN A 0 6 . -0.031 -13.165 24.473 1.00 69.19 6 A 1 ATOM 40 C C . ASN A 0 6 . 0.009 -12.837 22.974 1.00 69.19 6 A 1 ATOM 41 C CB . ASN A 0 6 . -0.987 -14.310 24.849 1.00 69.19 6 A 1 ATOM 42 O O . ASN A 0 6 . -1.001 -12.411 22.418 1.00 69.19 6 A 1 ATOM 43 C CG . ASN A 0 6 . -0.658 -15.651 24.227 1.00 69.19 6 A 1 ATOM 44 N ND2 . ASN A 0 6 . -1.490 -16.636 24.464 1.00 69.19 6 A 1 ATOM 45 O OD1 . ASN A 0 6 . 0.329 -15.843 23.535 1.00 69.19 6 A 1 ATOM 46 N N . SER A 0 7 . 1.159 -13.016 22.320 1.00 67.89 7 A 1 ATOM 47 C CA . SER A 0 7 . 1.358 -12.638 20.911 1.00 67.89 7 A 1 ATOM 48 C C . SER A 0 7 . 0.335 -13.287 19.976 1.00 67.89 7 A 1 ATOM 49 C CB . SER A 0 7 . 2.768 -13.024 20.460 1.00 67.89 7 A 1 ATOM 50 O O . SER A 0 7 . -0.092 -12.672 19.001 1.00 67.89 7 A 1 ATOM 51 O OG . SER A 0 7 . 3.005 -14.408 20.675 1.00 67.89 7 A 1 ATOM 52 N N . LYS A 0 8 . -0.130 -14.498 20.316 1.00 69.72 8 A 1 ATOM 53 C CA . LYS A 0 8 . -1.233 -15.160 19.608 1.00 69.72 8 A 1 ATOM 54 C C . LYS A 0 8 . -2.531 -14.353 19.677 1.00 69.72 8 A 1 ATOM 55 C CB . LYS A 0 8 . -1.461 -16.575 20.157 1.00 69.72 8 A 1 ATOM 56 O O . LYS A 0 8 . -3.222 -14.249 18.675 1.00 69.72 8 A 1 ATOM 57 C CG . LYS A 0 8 . -0.321 -17.535 19.791 1.00 69.72 8 A 1 ATOM 58 C CD . LYS A 0 8 . -0.715 -18.982 20.116 1.00 69.72 8 A 1 ATOM 59 C CE . LYS A 0 8 . 0.398 -19.945 19.691 1.00 69.72 8 A 1 ATOM 60 N NZ . LYS A 0 8 . -0.042 -21.361 19.778 1.00 69.72 8 A 1 ATOM 61 N N . THR A 0 9 . -2.852 -13.774 20.832 1.00 72.60 9 A 1 ATOM 62 C CA . THR A 0 9 . -4.071 -12.979 21.031 1.00 72.60 9 A 1 ATOM 63 C C . THR A 0 9 . -4.018 -11.670 20.244 1.00 72.60 9 A 1 ATOM 64 C CB . THR A 0 9 . -4.307 -12.707 22.526 1.00 72.60 9 A 1 ATOM 65 O O . THR A 0 9 . -5.013 -11.321 19.621 1.00 72.60 9 A 1 ATOM 66 C CG2 . THR A 0 9 . -5.709 -12.175 22.811 1.00 72.60 9 A 1 ATOM 67 O OG1 . THR A 0 9 . -4.191 -13.909 23.261 1.00 72.60 9 A 1 ATOM 68 N N . GLN A 0 10 . -2.863 -10.991 20.186 1.00 69.34 10 A 1 ATOM 69 C CA . GLN A 0 10 . -2.711 -9.795 19.341 1.00 69.34 10 A 1 ATOM 70 C C . GLN A 0 10 . -2.827 -10.110 17.850 1.00 69.34 10 A 1 ATOM 71 C CB . GLN A 0 10 . -1.373 -9.088 19.591 1.00 69.34 10 A 1 ATOM 72 O O . GLN A 0 10 . -3.534 -9.406 17.142 1.00 69.34 10 A 1 ATOM 73 C CG . GLN A 0 10 . -1.372 -8.263 20.881 1.00 69.34 10 A 1 ATOM 74 C CD . GLN A 0 10 . -0.833 -6.857 20.652 1.00 69.34 10 A 1 ATOM 75 N NE2 . GLN A 0 10 . -1.677 -5.864 20.473 1.00 69.34 10 A 1 ATOM 76 O OE1 . GLN A 0 10 . 0.367 -6.649 20.623 1.00 69.34 10 A 1 ATOM 77 N N . PHE A 0 11 . -2.183 -11.177 17.363 1.00 71.97 11 A 1 ATOM 78 C CA . PHE A 0 11 . -2.286 -11.542 15.947 1.00 71.97 11 A 1 ATOM 79 C C . PHE A 0 11 . -3.731 -11.856 15.539 1.00 71.97 11 A 1 ATOM 80 C CB . PHE A 0 11 . -1.366 -12.731 15.650 1.00 71.97 11 A 1 ATOM 81 O O . PHE A 0 11 . -4.194 -11.386 14.503 1.00 71.97 11 A 1 ATOM 82 C CG . PHE A 0 11 . -1.419 -13.156 14.195 1.00 71.97 11 A 1 ATOM 83 C CD1 . PHE A 0 11 . -2.310 -14.166 13.781 1.00 71.97 11 A 1 ATOM 84 C CD2 . PHE A 0 11 . -0.626 -12.493 13.241 1.00 71.97 11 A 1 ATOM 85 C CE1 . PHE A 0 11 . -2.402 -14.514 12.422 1.00 71.97 11 A 1 ATOM 86 C CE2 . PHE A 0 11 . -0.714 -12.845 11.882 1.00 71.97 11 A 1 ATOM 87 C CZ . PHE A 0 11 . -1.601 -13.855 11.473 1.00 71.97 11 A 1 ATOM 88 N N . VAL A 0 12 . -4.453 -12.617 16.371 1.00 73.46 12 A 1 ATOM 89 C CA . VAL A 0 12 . -5.874 -12.916 16.139 1.00 73.46 12 A 1 ATOM 90 C C . VAL A 0 12 . -6.701 -11.627 16.132 1.00 73.46 12 A 1 ATOM 91 C CB . VAL A 0 12 . -6.397 -13.935 17.170 1.00 73.46 12 A 1 ATOM 92 O O . VAL A 0 12 . -7.492 -11.436 15.216 1.00 73.46 12 A 1 ATOM 93 C CG1 . VAL A 0 12 . -7.911 -14.151 17.078 1.00 73.46 12 A 1 ATOM 94 C CG2 . VAL A 0 12 . -5.740 -15.308 16.954 1.00 73.46 12 A 1 ATOM 95 N N . SER A 0 13 . -6.456 -10.715 17.079 1.00 79.57 13 A 1 ATOM 96 C CA . SER A 0 13 . -7.115 -9.402 17.132 1.00 79.57 13 A 1 ATOM 97 C C . SER A 0 13 . -6.898 -8.594 15.851 1.00 79.57 13 A 1 ATOM 98 C CB . SER A 0 13 . -6.586 -8.612 18.333 1.00 79.57 13 A 1 ATOM 99 O O . SER A 0 13 . -7.855 -8.112 15.256 1.00 79.57 13 A 1 ATOM 100 O OG . SER A 0 13 . -7.349 -7.453 18.574 1.00 79.57 13 A 1 ATOM 101 N N . ASN A 0 14 . -5.654 -8.491 15.376 1.00 78.17 14 A 1 ATOM 102 C CA . ASN A 0 14 . -5.330 -7.710 14.181 1.00 78.17 14 A 1 ATOM 103 C C . ASN A 0 14 . -5.977 -8.300 12.924 1.00 78.17 14 A 1 ATOM 104 C CB . ASN A 0 14 . -3.805 -7.634 14.015 1.00 78.17 14 A 1 ATOM 105 O O . ASN A 0 14 . -6.422 -7.561 12.049 1.00 78.17 14 A 1 ATOM 106 C CG . ASN A 0 14 . -3.108 -6.844 15.109 1.00 78.17 14 A 1 ATOM 107 N ND2 . ASN A 0 14 . -1.819 -6.643 14.984 1.00 78.17 14 A 1 ATOM 108 O OD1 . ASN A 0 14 . -3.679 -6.410 16.091 1.00 78.17 14 A 1 ATOM 109 N N . TYR A 0 15 . -6.052 -9.630 12.831 1.00 79.68 15 A 1 ATOM 110 C CA . TYR A 0 15 . -6.737 -10.287 11.722 1.00 79.68 15 A 1 ATOM 111 C C . TYR A 0 15 . -8.243 -10.005 11.743 1.00 79.68 15 A 1 ATOM 112 C CB . TYR A 0 15 . -6.444 -11.788 11.757 1.00 79.68 15 A 1 ATOM 113 O O . TYR A 0 15 . -8.819 -9.706 10.701 1.00 79.68 15 A 1 ATOM 114 C CG . TYR A 0 15 . -6.902 -12.502 10.503 1.00 79.68 15 A 1 ATOM 115 C CD1 . TYR A 0 15 . -8.060 -13.303 10.519 1.00 79.68 15 A 1 ATOM 116 C CD2 . TYR A 0 15 . -6.167 -12.351 9.311 1.00 79.68 15 A 1 ATOM 117 C CE1 . TYR A 0 15 . -8.463 -13.972 9.349 1.00 79.68 15 A 1 ATOM 118 C CE2 . TYR A 0 15 . -6.591 -12.988 8.130 1.00 79.68 15 A 1 ATOM 119 O OH . TYR A 0 15 . -8.167 -14.415 7.013 1.00 79.68 15 A 1 ATOM 120 C CZ . TYR A 0 15 . -7.747 -13.797 8.148 1.00 79.68 15 A 1 ATOM 121 N N . GLU A 0 16 . -8.874 -10.027 12.919 1.00 82.52 16 A 1 ATOM 122 C CA . GLU A 0 16 . -10.287 -9.661 13.071 1.00 82.52 16 A 1 ATOM 123 C C . GLU A 0 16 . -10.536 -8.198 12.681 1.00 82.52 16 A 1 ATOM 124 C CB . GLU A 0 16 . -10.762 -9.901 14.510 1.00 82.52 16 A 1 ATOM 125 O O . GLU A 0 16 . -11.494 -7.922 11.963 1.00 82.52 16 A 1 ATOM 126 C CG . GLU A 0 16 . -10.712 -11.376 14.953 1.00 82.52 16 A 1 ATOM 127 C CD . GLU A 0 16 . -12.093 -11.968 15.269 1.00 82.52 16 A 1 ATOM 128 O OE1 . GLU A 0 16 . -12.346 -13.111 14.822 1.00 82.52 16 A 1 ATOM 129 O OE2 . GLU A 0 16 . -12.880 -11.302 15.978 1.00 82.52 16 A 1 ATOM 130 N N . ILE A 0 17 . -9.650 -7.275 13.074 1.00 83.66 17 A 1 ATOM 131 C CA . ILE A 0 17 . -9.703 -5.858 12.676 1.00 83.66 17 A 1 ATOM 132 C C . ILE A 0 17 . -9.569 -5.723 11.154 1.00 83.66 17 A 1 ATOM 133 C CB . ILE A 0 17 . -8.615 -5.047 13.420 1.00 83.66 17 A 1 ATOM 134 O O . ILE A 0 17 . -10.324 -4.982 10.531 1.00 83.66 17 A 1 ATOM 135 C CG1 . ILE A 0 17 . -8.902 -4.994 14.937 1.00 83.66 17 A 1 ATOM 136 C CG2 . ILE A 0 17 . -8.520 -3.606 12.888 1.00 83.66 17 A 1 ATOM 137 C CD1 . ILE A 0 17 . -7.681 -4.590 15.774 1.00 83.66 17 A 1 ATOM 138 N N . PHE A 0 18 . -8.665 -6.477 10.527 1.00 81.35 18 A 1 ATOM 139 C CA . PHE A 0 18 . -8.485 -6.459 9.074 1.00 81.35 18 A 1 ATOM 140 C C . PHE A 0 18 . -9.702 -7.034 8.329 1.00 81.35 18 A 1 ATOM 141 C CB . PHE A 0 18 . -7.203 -7.222 8.727 1.00 81.35 18 A 1 ATOM 142 O O . PHE A 0 18 . -10.141 -6.488 7.319 1.00 81.35 18 A 1 ATOM 143 C CG . PHE A 0 18 . -6.649 -6.866 7.365 1.00 81.35 18 A 1 ATOM 144 C CD1 . PHE A 0 18 . -7.032 -7.589 6.220 1.00 81.35 18 A 1 ATOM 145 C CD2 . PHE A 0 18 . -5.754 -5.787 7.247 1.00 81.35 18 A 1 ATOM 146 C CE1 . PHE A 0 18 . -6.506 -7.241 4.963 1.00 81.35 18 A 1 ATOM 147 C CE2 . PHE A 0 18 . -5.229 -5.440 5.991 1.00 81.35 18 A 1 ATOM 148 C CZ . PHE A 0 18 . -5.599 -6.172 4.850 1.00 81.35 18 A 1 ATOM 149 N N . LEU A 0 19 . -10.299 -8.113 8.845 1.00 81.86 19 A 1 ATOM 150 C CA . LEU A 0 19 . -11.553 -8.661 8.322 1.00 81.86 19 A 1 ATOM 151 C C . LEU A 0 19 . -12.729 -7.701 8.527 1.00 81.86 19 A 1 ATOM 152 C CB . LEU A 0 19 . -11.869 -9.993 9.016 1.00 81.86 19 A 1 ATOM 153 O O . LEU A 0 19 . -13.593 -7.590 7.657 1.00 81.86 19 A 1 ATOM 154 C CG . LEU A 0 19 . -10.988 -11.190 8.627 1.00 81.86 19 A 1 ATOM 155 C CD1 . LEU A 0 19 . -11.488 -12.393 9.429 1.00 81.86 19 A 1 ATOM 156 C CD2 . LEU A 0 19 . -11.077 -11.529 7.136 1.00 81.86 19 A 1 ATOM 157 N N . LYS A 0 20 . -12.762 -7.001 9.664 1.00 81.98 20 A 1 ATOM 158 C CA . LYS A 0 20 . -13.732 -5.945 9.956 1.00 81.98 20 A 1 ATOM 159 C C . LYS A 0 20 . -13.568 -4.796 8.966 1.00 81.98 20 A 1 ATOM 160 C CB . LYS A 0 20 . -13.581 -5.518 11.427 1.00 81.98 20 A 1 ATOM 161 O O . LYS A 0 20 . -14.562 -4.360 8.411 1.00 81.98 20 A 1 ATOM 162 C CG . LYS A 0 20 . -14.628 -4.497 11.889 1.00 81.98 20 A 1 ATOM 163 C CD . LYS A 0 20 . -14.497 -4.227 13.400 1.00 81.98 20 A 1 ATOM 164 C CE . LYS A 0 20 . -15.533 -3.190 13.854 1.00 81.98 20 A 1 ATOM 165 N NZ . LYS A 0 20 . -15.364 -2.752 15.271 1.00 81.98 20 A 1 ATOM 166 N N . ALA A 0 21 . -12.337 -4.414 8.644 1.00 81.85 21 A 1 ATOM 167 C CA . ALA A 0 21 . -12.038 -3.389 7.655 1.00 81.85 21 A 1 ATOM 168 C C . ALA A 0 21 . -12.433 -3.767 6.224 1.00 81.85 21 A 1 ATOM 169 C CB . ALA A 0 21 . -10.544 -3.115 7.736 1.00 81.85 21 A 1 ATOM 170 O O . ALA A 0 21 . -12.837 -2.911 5.443 1.00 81.85 21 A 1 ATOM 171 N N . LEU A 0 22 . -12.372 -5.057 5.888 1.00 79.64 22 A 1 ATOM 172 C CA . LEU A 0 22 . -12.902 -5.570 4.628 1.00 79.64 22 A 1 ATOM 173 C C . LEU A 0 22 . -14.436 -5.542 4.572 1.00 79.64 22 A 1 ATOM 174 C CB . LEU A 0 22 . -12.366 -6.991 4.395 1.00 79.64 22 A 1 ATOM 175 O O . LEU A 0 22 . -14.987 -5.617 3.475 1.00 79.64 22 A 1 ATOM 176 C CG . LEU A 0 22 . -10.915 -7.031 3.890 1.00 79.64 22 A 1 ATOM 177 C CD1 . LEU A 0 22 . -10.407 -8.474 3.929 1.00 79.64 22 A 1 ATOM 178 C CD2 . LEU A 0 22 . -10.818 -6.540 2.443 1.00 79.64 22 A 1 ATOM 179 N N . LYS A 0 23 . -15.144 -5.421 5.701 1.00 78.41 23 A 1 ATOM 180 C CA . LYS A 0 23 . -16.588 -5.166 5.700 1.00 78.41 23 A 1 ATOM 181 C C . LYS A 0 23 . -16.860 -3.677 5.501 1.00 78.41 23 A 1 ATOM 182 C CB . LYS A 0 23 . -17.259 -5.680 6.980 1.00 78.41 23 A 1 ATOM 183 O O . LYS A 0 23 . -16.312 -2.831 6.194 1.00 78.41 23 A 1 ATOM 184 C CG . LYS A 0 23 . -17.680 -7.146 6.859 1.00 78.41 23 A 1 ATOM 185 C CD . LYS A 0 23 . -18.350 -7.580 8.166 1.00 78.41 23 A 1 ATOM 186 C CE . LYS A 0 23 . -19.003 -8.952 8.007 1.00 78.41 23 A 1 ATOM 187 N NZ . LYS A 0 23 . -19.633 -9.380 9.279 1.00 78.41 23 A 1 ATOM 188 N N . MET A 0 24 . -17.761 -3.393 4.566 1.00 70.56 24 A 1 ATOM 189 C CA . MET A 0 24 . -18.227 -2.042 4.262 1.00 70.56 24 A 1 ATOM 190 C C . MET A 0 24 . -18.951 -1.428 5.474 1.00 70.56 24 A 1 ATOM 191 C CB . MET A 0 24 . -19.132 -2.126 3.022 1.00 70.56 24 A 1 ATOM 192 O O . MET A 0 24 . -19.674 -2.144 6.171 1.00 70.56 24 A 1 ATOM 193 C CG . MET A 0 24 . -19.127 -0.840 2.197 1.00 70.56 24 A 1 ATOM 194 S SD . MET A 0 24 . -19.990 -0.985 0.604 1.00 70.56 24 A 1 ATOM 195 C CE . MET A 0 24 . -21.708 -0.918 1.171 1.00 70.56 24 A 1 ATOM 196 N N . GLU A 0 25 . -18.756 -0.125 5.704 1.00 73.74 25 A 1 ATOM 197 C CA . GLU A 0 25 . -19.356 0.650 6.813 1.00 73.74 25 A 1 ATOM 198 C C . GLU A 0 25 . -19.110 0.051 8.220 1.00 73.74 25 A 1 ATOM 199 C CB . GLU A 0 25 . -20.844 0.964 6.536 1.00 73.74 25 A 1 ATOM 200 O O . GLU A 0 25 . -19.969 0.088 9.104 1.00 73.74 25 A 1 ATOM 201 C CG . GLU A 0 25 . -21.070 1.866 5.308 1.00 73.74 25 A 1 ATOM 202 C CD . GLU A 0 25 . -22.557 2.214 5.076 1.00 73.74 25 A 1 ATOM 203 O OE1 . GLU A 0 25 . -22.845 3.317 4.540 1.00 73.74 25 A 1 ATOM 204 O OE2 . GLU A 0 25 . -23.427 1.355 5.340 1.00 73.74 25 A 1 ATOM 205 N N . SER A 0 26 . -17.928 -0.526 8.463 1.00 71.41 26 A 1 ATOM 206 C CA . SER A 0 26 . -17.576 -1.020 9.797 1.00 71.41 26 A 1 ATOM 207 C C . SER A 0 26 . -17.180 0.124 10.739 1.00 71.41 26 A 1 ATOM 208 C CB . SER A 0 26 . -16.465 -2.068 9.708 1.00 71.41 26 A 1 ATOM 209 O O . SER A 0 26 . -16.195 0.815 10.482 1.00 71.41 26 A 1 ATOM 210 O OG . SER A 0 26 . -15.218 -1.475 9.406 1.00 71.41 26 A 1 ATOM 211 N N . VAL A 0 27 . -17.872 0.269 11.871 1.00 71.27 27 A 1 ATOM 212 C CA . VAL A 0 27 . -17.484 1.217 12.933 1.00 71.27 27 A 1 ATOM 213 C C . VAL A 0 27 . -16.242 0.694 13.654 1.00 71.27 27 A 1 ATOM 214 C CB . VAL A 0 27 . -18.635 1.451 13.932 1.00 71.27 27 A 1 ATOM 215 O O . VAL A 0 27 . -16.280 -0.401 14.224 1.00 71.27 27 A 1 ATOM 216 C CG1 . VAL A 0 27 . -18.247 2.467 15.013 1.00 71.27 27 A 1 ATOM 217 C CG2 . VAL A 0 27 . -19.888 1.973 13.216 1.00 71.27 27 A 1 ATOM 218 N N . PHE A 0 28 . -15.143 1.443 13.623 1.00 74.24 28 A 1 ATOM 219 C CA . PHE A 0 28 . -13.948 1.147 14.415 1.00 74.24 28 A 1 ATOM 220 C C . PHE A 0 28 . -14.067 1.807 15.785 1.00 74.24 28 A 1 ATOM 221 C CB . PHE A 0 28 . -12.680 1.596 13.682 1.00 74.24 28 A 1 ATOM 222 O O . PHE A 0 28 . -14.421 2.976 15.868 1.00 74.24 28 A 1 ATOM 223 C CG . PHE A 0 28 . -12.394 0.772 12.447 1.00 74.24 28 A 1 ATOM 224 C CD1 . PHE A 0 28 . -11.549 -0.352 12.522 1.00 74.24 28 A 1 ATOM 225 C CD2 . PHE A 0 28 . -12.981 1.133 11.223 1.00 74.24 28 A 1 ATOM 226 C CE1 . PHE A 0 28 . -11.279 -1.103 11.364 1.00 74.24 28 A 1 ATOM 227 C CE2 . PHE A 0 28 . -12.721 0.378 10.074 1.00 74.24 28 A 1 ATOM 228 C CZ . PHE A 0 28 . -11.855 -0.723 10.142 1.00 74.24 28 A 1 ATOM 229 N N . ASP A 0 29 . -13.784 1.051 16.847 1.00 73.68 29 A 1 ATOM 230 C CA . ASP A 0 29 . -13.819 1.576 18.219 1.00 73.68 29 A 1 ATOM 231 C C . ASP A 0 29 . -12.570 2.417 18.540 1.00 73.68 29 A 1 ATOM 232 C CB . ASP A 0 29 . -13.960 0.409 19.210 1.00 73.68 29 A 1 ATOM 233 O O . ASP A 0 29 . -12.620 3.295 19.398 1.00 73.68 29 A 1 ATOM 234 C CG . ASP A 0 29 . -15.289 -0.339 19.057 1.00 73.68 29 A 1 ATOM 235 O OD1 . ASP A 0 29 . -16.347 0.266 19.333 1.00 73.68 29 A 1 ATOM 236 O OD2 . ASP A 0 29 . -15.251 -1.522 18.633 1.00 73.68 29 A 1 ATOM 237 N N . ASP A 0 30 . -11.456 2.164 17.841 1.00 78.61 30 A 1 ATOM 238 C CA . ASP A 0 30 . -10.210 2.923 17.947 1.00 78.61 30 A 1 ATOM 239 C C . ASP A 0 30 . -9.806 3.474 16.571 1.00 78.61 30 A 1 ATOM 240 C CB . ASP A 0 30 . -9.102 2.056 18.578 1.00 78.61 30 A 1 ATOM 241 O O . ASP A 0 30 . -9.695 2.743 15.581 1.00 78.61 30 A 1 ATOM 242 C CG . ASP A 0 30 . -7.893 2.871 19.072 1.00 78.61 30 A 1 ATOM 243 O OD1 . ASP A 0 30 . -7.587 3.936 18.482 1.00 78.61 30 A 1 ATOM 244 O OD2 . ASP A 0 30 . -7.255 2.462 20.065 1.00 78.61 30 A 1 ATOM 245 N N . LYS A 0 31 . -9.547 4.782 16.520 1.00 80.70 31 A 1 ATOM 246 C CA . LYS A 0 31 . -9.022 5.477 15.341 1.00 80.70 31 A 1 ATOM 247 C C . LYS A 0 31 . -7.677 4.892 14.892 1.00 80.70 31 A 1 ATOM 248 C CB . LYS A 0 31 . -8.969 6.985 15.659 1.00 80.70 31 A 1 ATOM 249 O O . LYS A 0 31 . -7.435 4.813 13.690 1.00 80.70 31 A 1 ATOM 250 C CG . LYS A 0 31 . -7.935 7.767 14.839 1.00 80.70 31 A 1 ATOM 251 C CD . LYS A 0 31 . -8.052 9.280 15.038 1.00 80.70 31 A 1 ATOM 252 C CE . LYS A 0 31 . -6.791 9.916 14.445 1.00 80.70 31 A 1 ATOM 253 N NZ . LYS A 0 31 . -6.805 11.393 14.536 1.00 80.70 31 A 1 ATOM 254 N N . ASN A 0 32 . -6.816 4.470 15.819 1.00 83.01 32 A 1 ATOM 255 C CA . ASN A 0 32 . -5.504 3.910 15.482 1.00 83.01 32 A 1 ATOM 256 C C . ASN A 0 32 . -5.632 2.577 14.737 1.00 83.01 32 A 1 ATOM 257 C CB . ASN A 0 32 . -4.660 3.738 16.749 1.00 83.01 32 A 1 ATOM 258 O O . ASN A 0 32 . -4.896 2.353 13.783 1.00 83.01 32 A 1 ATOM 259 C CG . ASN A 0 32 . -4.433 5.042 17.482 1.00 83.01 32 A 1 ATOM 260 N ND2 . ASN A 0 32 . -4.934 5.148 18.688 1.00 83.01 32 A 1 ATOM 261 O OD1 . ASN A 0 32 . -3.844 5.989 16.986 1.00 83.01 32 A 1 ATOM 262 N N . ASP A 0 33 . -6.607 1.738 15.100 1.00 84.19 33 A 1 ATOM 263 C CA . ASP A 0 33 . -6.864 0.471 14.407 1.00 84.19 33 A 1 ATOM 264 C C . ASP A 0 33 . -7.286 0.714 12.952 1.00 84.19 33 A 1 ATOM 265 C CB . ASP A 0 33 . -7.975 -0.315 15.126 1.00 84.19 33 A 1 ATOM 266 O O . ASP A 0 33 . -6.815 0.038 12.034 1.00 84.19 33 A 1 ATOM 267 C CG . ASP A 0 33 . -7.562 -0.994 16.436 1.00 84.19 33 A 1 ATOM 268 O OD1 . ASP A 0 33 . -6.353 -1.031 16.752 1.00 84.19 33 A 1 ATOM 269 O OD2 . ASP A 0 33 . -8.481 -1.550 17.080 1.00 84.19 33 A 1 ATOM 270 N N . PHE A 0 34 . -8.151 1.707 12.718 1.00 82.93 34 A 1 ATOM 271 C CA . PHE A 0 34 . -8.529 2.102 11.361 1.00 82.93 34 A 1 ATOM 272 C C . PHE A 0 34 . -7.320 2.613 10.568 1.00 82.93 34 A 1 ATOM 273 C CB . PHE A 0 34 . -9.630 3.168 11.401 1.00 82.93 34 A 1 ATOM 274 O O . PHE A 0 34 . -7.099 2.185 9.431 1.00 82.93 34 A 1 ATOM 275 C CG . PHE A 0 34 . -9.990 3.694 10.023 1.00 82.93 34 A 1 ATOM 276 C CD1 . PHE A 0 34 . -9.660 5.009 9.648 1.00 82.93 34 A 1 ATOM 277 C CD2 . PHE A 0 34 . -10.599 2.844 9.086 1.00 82.93 34 A 1 ATOM 278 C CE1 . PHE A 0 34 . -9.981 5.483 8.365 1.00 82.93 34 A 1 ATOM 279 C CE2 . PHE A 0 34 . -10.919 3.311 7.800 1.00 82.93 34 A 1 ATOM 280 C CZ . PHE A 0 34 . -10.608 4.632 7.439 1.00 82.93 34 A 1 ATOM 281 N N . LEU A 0 35 . -6.525 3.501 11.171 1.00 84.31 35 A 1 ATOM 282 C CA . LEU A 0 35 . -5.337 4.075 10.542 1.00 84.31 35 A 1 ATOM 283 C C . LEU A 0 35 . -4.286 3.011 10.214 1.00 84.31 35 A 1 ATOM 284 C CB . LEU A 0 35 . -4.756 5.169 11.448 1.00 84.31 35 A 1 ATOM 285 O O . LEU A 0 35 . -3.734 3.042 9.115 1.00 84.31 35 A 1 ATOM 286 C CG . LEU A 0 35 . -5.619 6.440 11.531 1.00 84.31 35 A 1 ATOM 287 C CD1 . LEU A 0 35 . -5.051 7.341 12.624 1.00 84.31 35 A 1 ATOM 288 C CD2 . LEU A 0 35 . -5.685 7.194 10.200 1.00 84.31 35 A 1 ATOM 289 N N . ASP A 0 36 . -4.078 2.025 11.086 1.00 87.19 36 A 1 ATOM 290 C CA . ASP A 0 36 . -3.187 0.889 10.837 1.00 87.19 36 A 1 ATOM 291 C C . ASP A 0 36 . -3.648 0.070 9.626 1.00 87.19 36 A 1 ATOM 292 C CB . ASP A 0 36 . -3.108 -0.014 12.086 1.00 87.19 36 A 1 ATOM 293 O O . ASP A 0 36 . -2.837 -0.298 8.768 1.00 87.19 36 A 1 ATOM 294 C CG . ASP A 0 36 . -1.969 0.329 13.058 1.00 87.19 36 A 1 ATOM 295 O OD1 . ASP A 0 36 . -1.133 1.200 12.728 1.00 87.19 36 A 1 ATOM 296 O OD2 . ASP A 0 36 . -1.842 -0.405 14.065 1.00 87.19 36 A 1 ATOM 297 N N . VAL A 0 37 . -4.953 -0.191 9.491 1.00 86.28 37 A 1 ATOM 298 C CA . VAL A 0 37 . -5.459 -0.926 8.325 1.00 86.28 37 A 1 ATOM 299 C C . VAL A 0 37 . -5.313 -0.112 7.042 1.00 86.28 37 A 1 ATOM 300 C CB . VAL A 0 37 . -6.904 -1.407 8.502 1.00 86.28 37 A 1 ATOM 301 O O . VAL A 0 37 . -4.834 -0.648 6.039 1.00 86.28 37 A 1 ATOM 302 C CG1 . VAL A 0 37 . -7.312 -2.169 7.233 1.00 86.28 37 A 1 ATOM 303 C CG2 . VAL A 0 37 . -7.033 -2.388 9.671 1.00 86.28 37 A 1 ATOM 304 N N . VAL A 0 38 . -5.668 1.177 7.062 1.00 86.03 38 A 1 ATOM 305 C CA . VAL A 0 38 . -5.483 2.082 5.914 1.00 86.03 38 A 1 ATOM 306 C C . VAL A 0 38 . -4.010 2.148 5.517 1.00 86.03 38 A 1 ATOM 307 C CB . VAL A 0 38 . -6.002 3.498 6.233 1.00 86.03 38 A 1 ATOM 308 O O . VAL A 0 38 . -3.686 2.076 4.328 1.00 86.03 38 A 1 ATOM 309 C CG1 . VAL A 0 38 . -5.678 4.509 5.119 1.00 86.03 38 A 1 ATOM 310 C CG2 . VAL A 0 38 . -7.523 3.501 6.383 1.00 86.03 38 A 1 ATOM 311 N N . TYR A 0 39 . -3.113 2.242 6.499 1.00 87.90 39 A 1 ATOM 312 C CA . TYR A 0 39 . -1.670 2.246 6.301 1.00 87.90 39 A 1 ATOM 313 C C . TYR A 0 39 . -1.208 0.976 5.579 1.00 87.90 39 A 1 ATOM 314 C CB . TYR A 0 39 . -0.977 2.412 7.661 1.00 87.90 39 A 1 ATOM 315 O O . TYR A 0 39 . -0.554 1.062 4.537 1.00 87.90 39 A 1 ATOM 316 C CG . TYR A 0 39 . 0.530 2.345 7.577 1.00 87.90 39 A 1 ATOM 317 C CD1 . TYR A 0 39 . 1.187 1.100 7.623 1.00 87.90 39 A 1 ATOM 318 C CD2 . TYR A 0 39 . 1.269 3.533 7.455 1.00 87.90 39 A 1 ATOM 319 C CE1 . TYR A 0 39 . 2.585 1.036 7.488 1.00 87.90 39 A 1 ATOM 320 C CE2 . TYR A 0 39 . 2.670 3.477 7.362 1.00 87.90 39 A 1 ATOM 321 O OH . TYR A 0 39 . 4.678 2.176 7.208 1.00 87.90 39 A 1 ATOM 322 C CZ . TYR A 0 39 . 3.327 2.229 7.344 1.00 87.90 39 A 1 ATOM 323 N N . TRP A 0 40 . -1.596 -0.205 6.069 1.00 88.95 40 A 1 ATOM 324 C CA . TRP A 0 40 . -1.217 -1.479 5.453 1.00 88.95 40 A 1 ATOM 325 C C . TRP A 0 40 . -1.800 -1.657 4.051 1.00 88.95 40 A 1 ATOM 326 C CB . TRP A 0 40 . -1.608 -2.642 6.371 1.00 88.95 40 A 1 ATOM 327 O O . TRP A 0 40 . -1.077 -2.068 3.139 1.00 88.95 40 A 1 ATOM 328 C CG . TRP A 0 40 . -0.570 -2.960 7.397 1.00 88.95 40 A 1 ATOM 329 C CD1 . TRP A 0 40 . -0.630 -2.671 8.716 1.00 88.95 40 A 1 ATOM 330 C CD2 . TRP A 0 40 . 0.723 -3.604 7.190 1.00 88.95 40 A 1 ATOM 331 C CE2 . TRP A 0 40 . 1.397 -3.678 8.446 1.00 88.95 40 A 1 ATOM 332 C CE3 . TRP A 0 40 . 1.395 -4.124 6.061 1.00 88.95 40 A 1 ATOM 333 N NE1 . TRP A 0 40 . 0.529 -3.084 9.338 1.00 88.95 40 A 1 ATOM 334 C CH2 . TRP A 0 40 . 3.309 -4.769 7.437 1.00 88.95 40 A 1 ATOM 335 C CZ2 . TRP A 0 40 . 2.671 -4.250 8.578 1.00 88.95 40 A 1 ATOM 336 C CZ3 . TRP A 0 40 . 2.673 -4.703 6.183 1.00 88.95 40 A 1 ATOM 337 N N . PHE A 0 41 . -3.069 -1.295 3.840 1.00 88.68 41 A 1 ATOM 338 C CA . PHE A 0 41 . -3.692 -1.312 2.513 1.00 88.68 41 A 1 ATOM 339 C C . PHE A 0 41 . -2.942 -0.419 1.528 1.00 88.68 41 A 1 ATOM 340 C CB . PHE A 0 41 . -5.156 -0.864 2.607 1.00 88.68 41 A 1 ATOM 341 O O . PHE A 0 41 . -2.648 -0.833 0.404 1.00 88.68 41 A 1 ATOM 342 C CG . PHE A 0 41 . -6.121 -2.018 2.511 1.00 88.68 41 A 1 ATOM 343 C CD1 . PHE A 0 41 . -6.639 -2.388 1.258 1.00 88.68 41 A 1 ATOM 344 C CD2 . PHE A 0 41 . -6.485 -2.734 3.662 1.00 88.68 41 A 1 ATOM 345 C CE1 . PHE A 0 41 . -7.554 -3.448 1.157 1.00 88.68 41 A 1 ATOM 346 C CE2 . PHE A 0 41 . -7.397 -3.797 3.564 1.00 88.68 41 A 1 ATOM 347 C CZ . PHE A 0 41 . -7.929 -4.149 2.314 1.00 88.68 41 A 1 ATOM 348 N N . ARG A 0 42 . -2.581 0.791 1.964 1.00 88.00 42 A 1 ATOM 349 C CA . ARG A 0 42 . -1.806 1.731 1.156 1.00 88.00 42 A 1 ATOM 350 C C . ARG A 0 42 . -0.428 1.171 0.819 1.00 88.00 42 A 1 ATOM 351 C CB . ARG A 0 42 . -1.700 3.061 1.910 1.00 88.00 42 A 1 ATOM 352 O O . ARG A 0 42 . 0.020 1.330 -0.314 1.00 88.00 42 A 1 ATOM 353 C CG . ARG A 0 42 . -1.157 4.166 0.998 1.00 88.00 42 A 1 ATOM 354 C CD . ARG A 0 42 . -0.812 5.435 1.779 1.00 88.00 42 A 1 ATOM 355 N NE . ARG A 0 42 . -1.992 6.032 2.414 1.00 88.00 42 A 1 ATOM 356 N NH1 . ARG A 0 42 . -1.984 8.138 1.440 1.00 88.00 42 A 1 ATOM 357 N NH2 . ARG A 0 42 . -3.169 7.760 3.245 1.00 88.00 42 A 1 ATOM 358 C CZ . ARG A 0 42 . -2.370 7.293 2.346 1.00 88.00 42 A 1 ATOM 359 N N . GLN A 0 43 . 0.228 0.501 1.764 1.00 92.20 43 A 1 ATOM 360 C CA . GLN A 0 43 . 1.548 -0.085 1.551 1.00 92.20 43 A 1 ATOM 361 C C . GLN A 0 43 . 1.509 -1.204 0.504 1.00 92.20 43 A 1 ATOM 362 C CB . GLN A 0 43 . 2.106 -0.586 2.897 1.00 92.20 43 A 1 ATOM 363 O O . GLN A 0 43 . 2.332 -1.223 -0.412 1.00 92.20 43 A 1 ATOM 364 C CG . GLN A 0 43 . 3.615 -0.339 3.004 1.00 92.20 43 A 1 ATOM 365 C CD . GLN A 0 43 . 3.977 1.147 3.044 1.00 92.20 43 A 1 ATOM 366 N NE2 . GLN A 0 43 . 5.222 1.480 2.838 1.00 92.20 43 A 1 ATOM 367 O OE1 . GLN A 0 43 . 3.177 2.045 3.227 1.00 92.20 43 A 1 ATOM 368 N N . VAL A 0 44 . 0.513 -2.091 0.590 1.00 92.70 44 A 1 ATOM 369 C CA . VAL A 0 44 . 0.282 -3.148 -0.406 1.00 92.70 44 A 1 ATOM 370 C C . VAL A 0 44 . -0.019 -2.539 -1.776 1.00 92.70 44 A 1 ATOM 371 C CB . VAL A 0 44 . -0.849 -4.089 0.056 1.00 92.70 44 A 1 ATOM 372 O O . VAL A 0 44 . 0.586 -2.936 -2.771 1.00 92.70 44 A 1 ATOM 373 C CG1 . VAL A 0 44 . -1.232 -5.112 -1.022 1.00 92.70 44 A 1 ATOM 374 C CG2 . VAL A 0 44 . -0.421 -4.877 1.301 1.00 92.70 44 A 1 ATOM 375 N N . PHE A 0 45 . -0.888 -1.527 -1.832 1.00 92.37 45 A 1 ATOM 376 C CA . PHE A 0 45 . -1.206 -0.822 -3.072 1.00 92.37 45 A 1 ATOM 377 C C . PHE A 0 45 . 0.030 -0.155 -3.696 1.00 92.37 45 A 1 ATOM 378 C CB . PHE A 0 45 . -2.316 0.199 -2.793 1.00 92.37 45 A 1 ATOM 379 O O . PHE A 0 45 . 0.263 -0.297 -4.893 1.00 92.37 45 A 1 ATOM 380 C CG . PHE A 0 45 . -2.761 0.950 -4.030 1.00 92.37 45 A 1 ATOM 381 C CD1 . PHE A 0 45 . -2.303 2.258 -4.274 1.00 92.37 45 A 1 ATOM 382 C CD2 . PHE A 0 45 . -3.621 0.326 -4.952 1.00 92.37 45 A 1 ATOM 383 C CE1 . PHE A 0 45 . -2.711 2.944 -5.431 1.00 92.37 45 A 1 ATOM 384 C CE2 . PHE A 0 45 . -4.024 1.008 -6.113 1.00 92.37 45 A 1 ATOM 385 C CZ . PHE A 0 45 . -3.571 2.318 -6.351 1.00 92.37 45 A 1 ATOM 386 N N . ALA A 0 46 . 0.864 0.512 -2.893 1.00 94.38 46 A 1 ATOM 387 C CA . ALA A 0 46 . 2.090 1.160 -3.354 1.00 94.38 46 A 1 ATOM 388 C C . ALA A 0 46 . 3.082 0.166 -3.973 1.00 94.38 46 A 1 ATOM 389 C CB . ALA A 0 46 . 2.722 1.903 -2.171 1.00 94.38 46 A 1 ATOM 390 O O . ALA A 0 46 . 3.677 0.467 -5.007 1.00 94.38 46 A 1 ATOM 391 N N . ILE A 0 47 . 3.224 -1.022 -3.376 1.00 94.42 47 A 1 ATOM 392 C CA . ILE A 0 47 . 4.065 -2.096 -3.919 1.00 94.42 47 A 1 ATOM 393 C C . ILE A 0 47 . 3.502 -2.592 -5.254 1.00 94.42 47 A 1 ATOM 394 C CB . ILE A 0 47 . 4.214 -3.240 -2.889 1.00 94.42 47 A 1 ATOM 395 O O . ILE A 0 47 . 4.252 -2.711 -6.219 1.00 94.42 47 A 1 ATOM 396 C CG1 . ILE A 0 47 . 5.022 -2.750 -1.664 1.00 94.42 47 A 1 ATOM 397 C CG2 . ILE A 0 47 . 4.909 -4.467 -3.513 1.00 94.42 47 A 1 ATOM 398 C CD1 . ILE A 0 47 . 4.927 -3.683 -0.450 1.00 94.42 47 A 1 ATOM 399 N N . ILE A 0 48 . 2.191 -2.840 -5.340 1.00 94.74 48 A 1 ATOM 400 C CA . ILE A 0 48 . 1.548 -3.292 -6.584 1.00 94.74 48 A 1 ATOM 401 C C . ILE A 0 48 . 1.754 -2.259 -7.696 1.00 94.74 48 A 1 ATOM 402 C CB . ILE A 0 48 . 0.049 -3.594 -6.352 1.00 94.74 48 A 1 ATOM 403 O O . ILE A 0 48 . 2.204 -2.612 -8.784 1.00 94.74 48 A 1 ATOM 404 C CG1 . ILE A 0 48 . -0.113 -4.824 -5.429 1.00 94.74 48 A 1 ATOM 405 C CG2 . ILE A 0 48 . -0.684 -3.846 -7.686 1.00 94.74 48 A 1 ATOM 406 C CD1 . ILE A 0 48 . -1.537 -5.000 -4.884 1.00 94.74 48 A 1 ATOM 407 N N . VAL A 0 49 . 1.475 -0.982 -7.424 1.00 93.00 49 A 1 ATOM 408 C CA . VAL A 0 49 . 1.654 0.102 -8.401 1.00 93.00 49 A 1 ATOM 409 C C . VAL A 0 49 . 3.118 0.236 -8.811 1.00 93.00 49 A 1 ATOM 410 C CB . VAL A 0 49 . 1.101 1.434 -7.859 1.00 93.00 49 A 1 ATOM 411 O O . VAL A 0 49 . 3.392 0.354 -10.003 1.00 93.00 49 A 1 ATOM 412 C CG1 . VAL A 0 49 . 1.422 2.624 -8.774 1.00 93.00 49 A 1 ATOM 413 C CG2 . VAL A 0 49 . -0.426 1.366 -7.739 1.00 93.00 49 A 1 ATOM 414 N N . GLY A 0 50 . 4.059 0.169 -7.865 1.00 93.28 50 A 1 ATOM 415 C CA . GLY A 0 50 . 5.491 0.244 -8.161 1.00 93.28 50 A 1 ATOM 416 C C . GLY A 0 50 . 5.966 -0.899 -9.056 1.00 93.28 50 A 1 ATOM 417 O O . GLY A 0 50 . 6.658 -0.655 -10.043 1.00 93.28 50 A 1 ATOM 418 N N . VAL A 0 51 . 5.515 -2.130 -8.794 1.00 93.90 51 A 1 ATOM 419 C CA . VAL A 0 51 . 5.794 -3.285 -9.662 1.00 93.90 51 A 1 ATOM 420 C C . VAL A 0 51 . 5.207 -3.067 -11.059 1.00 93.90 51 A 1 ATOM 421 C CB . VAL A 0 51 . 5.279 -4.592 -9.026 1.00 93.90 51 A 1 ATOM 422 O O . VAL A 0 51 . 5.924 -3.203 -12.049 1.00 93.90 51 A 1 ATOM 423 C CG1 . VAL A 0 51 . 5.375 -5.800 -9.968 1.00 93.90 51 A 1 ATOM 424 C CG2 . VAL A 0 51 . 6.088 -4.947 -7.771 1.00 93.90 51 A 1 ATOM 425 N N . VAL A 0 52 . 3.934 -2.672 -11.168 1.00 93.46 52 A 1 ATOM 426 C CA . VAL A 0 52 . 3.282 -2.444 -12.471 1.00 93.46 52 A 1 ATOM 427 C C . VAL A 0 52 . 3.996 -1.344 -13.263 1.00 93.46 52 A 1 ATOM 428 C CB . VAL A 0 52 . 1.780 -2.136 -12.300 1.00 93.46 52 A 1 ATOM 429 O O . VAL A 0 52 . 4.252 -1.529 -14.450 1.00 93.46 52 A 1 ATOM 430 C CG1 . VAL A 0 52 . 1.094 -1.773 -13.627 1.00 93.46 52 A 1 ATOM 431 C CG2 . VAL A 0 52 . 1.025 -3.359 -11.757 1.00 93.46 52 A 1 ATOM 432 N N . TRP A 0 53 . 4.375 -0.232 -12.627 1.00 90.57 53 A 1 ATOM 433 C CA . TRP A 0 53 . 5.088 0.869 -13.288 1.00 90.57 53 A 1 ATOM 434 C C . TRP A 0 53 . 6.513 0.488 -13.690 1.00 90.57 53 A 1 ATOM 435 C CB . TRP A 0 53 . 5.100 2.118 -12.393 1.00 90.57 53 A 1 ATOM 436 O O . TRP A 0 53 . 6.984 0.924 -14.740 1.00 90.57 53 A 1 ATOM 437 C CG . TRP A 0 53 . 4.071 3.147 -12.746 1.00 90.57 53 A 1 ATOM 438 C CD1 . TRP A 0 53 . 4.324 4.464 -12.900 1.00 90.57 53 A 1 ATOM 439 C CD2 . TRP A 0 53 . 2.651 2.981 -13.051 1.00 90.57 53 A 1 ATOM 440 C CE2 . TRP A 0 53 . 2.118 4.252 -13.418 1.00 90.57 53 A 1 ATOM 441 C CE3 . TRP A 0 53 . 1.755 1.891 -13.062 1.00 90.57 53 A 1 ATOM 442 N NE1 . TRP A 0 53 . 3.173 5.124 -13.279 1.00 90.57 53 A 1 ATOM 443 C CH2 . TRP A 0 53 . -0.072 3.310 -13.838 1.00 90.57 53 A 1 ATOM 444 C CZ2 . TRP A 0 53 . 0.781 4.424 -13.803 1.00 90.57 53 A 1 ATOM 445 C CZ3 . TRP A 0 53 . 0.415 2.047 -13.462 1.00 90.57 53 A 1 ATOM 446 N N . GLY A 0 54 . 7.183 -0.339 -12.882 1.00 90.27 54 A 1 ATOM 447 C CA . GLY A 0 54 . 8.514 -0.858 -13.188 1.00 90.27 54 A 1 ATOM 448 C C . GLY A 0 54 . 8.509 -1.787 -14.393 1.00 90.27 54 A 1 ATOM 449 O O . GLY A 0 54 . 9.365 -1.649 -15.263 1.00 90.27 54 A 1 ATOM 450 N N . VAL A 0 55 . 7.507 -2.668 -14.498 1.00 90.10 55 A 1 ATOM 451 C CA . VAL A 0 55 . 7.321 -3.528 -15.679 1.00 90.10 55 A 1 ATOM 452 C C . VAL A 0 55 . 6.901 -2.711 -16.901 1.00 90.10 55 A 1 ATOM 453 C CB . VAL A 0 55 . 6.302 -4.654 -15.411 1.00 90.10 55 A 1 ATOM 454 O O . VAL A 0 55 . 7.420 -2.943 -17.986 1.00 90.10 55 A 1 ATOM 455 C CG1 . VAL A 0 55 . 6.061 -5.523 -16.653 1.00 90.10 55 A 1 ATOM 456 C CG2 . VAL A 0 55 . 6.786 -5.602 -14.308 1.00 90.10 55 A 1 ATOM 457 N N . ALA A 0 56 . 6.006 -1.731 -16.738 1.00 88.31 56 A 1 ATOM 458 C CA . ALA A 0 56 . 5.514 -0.880 -17.826 1.00 88.31 56 A 1 ATOM 459 C C . ALA A 0 56 . 6.535 0.163 -18.330 1.00 88.31 56 A 1 ATOM 460 C CB . ALA A 0 56 . 4.200 -0.228 -17.372 1.00 88.31 56 A 1 ATOM 461 O O . ALA A 0 56 . 6.185 1.007 -19.154 1.00 88.31 56 A 1 ATOM 462 N N . SER A 0 57 . 7.776 0.134 -17.828 1.00 82.82 57 A 1 ATOM 463 C CA . SER A 0 57 . 8.867 1.032 -18.233 1.00 82.82 57 A 1 ATOM 464 C C . SER A 0 57 . 8.542 2.523 -18.067 1.00 82.82 57 A 1 ATOM 465 C CB . SER A 0 57 . 9.347 0.754 -19.671 1.00 82.82 57 A 1 ATOM 466 O O . SER A 0 57 . 9.134 3.367 -18.745 1.00 82.82 57 A 1 ATOM 467 O OG . SER A 0 57 . 9.106 -0.567 -20.107 1.00 82.82 57 A 1 ATOM 468 N N . PHE A 0 58 . 7.604 2.884 -17.183 1.00 80.24 58 A 1 ATOM 469 C CA . PHE A 0 58 . 7.320 4.291 -16.922 1.00 80.24 58 A 1 ATOM 470 C C . PHE A 0 58 . 8.558 4.928 -16.298 1.00 80.24 58 A 1 ATOM 471 C CB . PHE A 0 58 . 6.076 4.469 -16.038 1.00 80.24 58 A 1 ATOM 472 O O . PHE A 0 58 . 9.086 4.414 -15.316 1.00 80.24 58 A 1 ATOM 473 C CG . PHE A 0 58 . 4.786 4.579 -16.824 1.00 80.24 58 A 1 ATOM 474 C CD1 . PHE A 0 58 . 4.555 5.710 -17.632 1.00 80.24 58 A 1 ATOM 475 C CD2 . PHE A 0 58 . 3.818 3.562 -16.755 1.00 80.24 58 A 1 ATOM 476 C CE1 . PHE A 0 58 . 3.370 5.815 -18.382 1.00 80.24 58 A 1 ATOM 477 C CE2 . PHE A 0 58 . 2.629 3.670 -17.499 1.00 80.24 58 A 1 ATOM 478 C CZ . PHE A 0 58 . 2.406 4.794 -18.314 1.00 80.24 58 A 1 ATOM 479 N N . THR A 0 59 . 9.025 6.039 -16.873 1.00 81.32 59 A 1 ATOM 480 C CA . THR A 0 59 . 10.233 6.751 -16.438 1.00 81.32 59 A 1 ATOM 481 C C . THR A 0 59 . 9.945 8.219 -16.137 1.00 81.32 59 A 1 ATOM 482 C CB . THR A 0 59 . 11.385 6.631 -17.453 1.00 81.32 59 A 1 ATOM 483 O O . THR A 0 59 . 8.991 8.822 -16.636 1.00 81.32 59 A 1 ATOM 484 C CG2 . THR A 0 59 . 11.955 5.218 -17.532 1.00 81.32 59 A 1 ATOM 485 O OG1 . THR A 0 59 . 10.967 6.992 -18.745 1.00 81.32 59 A 1 ATOM 486 N N . GLY A 0 60 . 10.797 8.807 -15.296 1.00 85.09 60 A 1 ATOM 487 C CA . GLY A 0 60 . 10.786 10.233 -14.992 1.00 85.09 60 A 1 ATOM 488 C C . GLY A 0 60 . 9.692 10.678 -14.019 1.00 85.09 60 A 1 ATOM 489 O O . GLY A 0 60 . 9.048 9.887 -13.331 1.00 85.09 60 A 1 ATOM 490 N N . PHE A 0 61 . 9.495 11.995 -13.955 1.00 89.32 61 A 1 ATOM 491 C CA . PHE A 0 61 . 8.611 12.648 -12.985 1.00 89.32 61 A 1 ATOM 492 C C . PHE A 0 61 . 7.134 12.247 -13.124 1.00 89.32 61 A 1 ATOM 493 C CB . PHE A 0 61 . 8.789 14.162 -13.154 1.00 89.32 61 A 1 ATOM 494 O O . PHE A 0 61 . 6.389 12.265 -12.145 1.00 89.32 61 A 1 ATOM 495 C CG . PHE A 0 61 . 7.997 15.001 -12.174 1.00 89.32 61 A 1 ATOM 496 C CD1 . PHE A 0 61 . 6.984 15.863 -12.635 1.00 89.32 61 A 1 ATOM 497 C CD2 . PHE A 0 61 . 8.294 14.945 -10.799 1.00 89.32 61 A 1 ATOM 498 C CE1 . PHE A 0 61 . 6.294 16.682 -11.725 1.00 89.32 61 A 1 ATOM 499 C CE2 . PHE A 0 61 . 7.573 15.736 -9.887 1.00 89.32 61 A 1 ATOM 500 C CZ . PHE A 0 61 . 6.572 16.605 -10.350 1.00 89.32 61 A 1 ATOM 501 N N . MET A 0 62 . 6.708 11.835 -14.322 1.00 90.17 62 A 1 ATOM 502 C CA . MET A 0 62 . 5.312 11.484 -14.577 1.00 90.17 62 A 1 ATOM 503 C C . MET A 0 62 . 4.864 10.246 -13.787 1.00 90.17 62 A 1 ATOM 504 C CB . MET A 0 62 . 5.099 11.297 -16.088 1.00 90.17 62 A 1 ATOM 505 O O . MET A 0 62 . 3.732 10.196 -13.313 1.00 90.17 62 A 1 ATOM 506 C CG . MET A 0 62 . 3.624 11.474 -16.457 1.00 90.17 62 A 1 ATOM 507 S SD . MET A 0 62 . 2.997 13.149 -16.152 1.00 90.17 62 A 1 ATOM 508 C CE . MET A 0 62 . 1.252 12.897 -16.559 1.00 90.17 62 A 1 ATOM 509 N N . ALA A 0 63 . 5.762 9.279 -13.576 1.00 90.12 63 A 1 ATOM 510 C CA . ALA A 0 63 . 5.505 8.117 -12.728 1.00 90.12 63 A 1 ATOM 511 C C . ALA A 0 63 . 5.221 8.522 -11.273 1.00 90.12 63 A 1 ATOM 512 C CB . ALA A 0 63 . 6.738 7.219 -12.811 1.00 90.12 63 A 1 ATOM 513 O O . ALA A 0 63 . 4.263 8.047 -10.667 1.00 90.12 63 A 1 ATOM 514 N N . ILE A 0 64 . 6.013 9.460 -10.747 1.00 92.17 64 A 1 ATOM 515 C CA . ILE A 0 64 . 5.875 9.974 -9.380 1.00 92.17 64 A 1 ATOM 516 C C . ILE A 0 64 . 4.552 10.732 -9.222 1.00 92.17 64 A 1 ATOM 517 C CB . ILE A 0 64 . 7.095 10.853 -9.018 1.00 92.17 64 A 1 ATOM 518 O O . ILE A 0 64 . 3.821 10.502 -8.261 1.00 92.17 64 A 1 ATOM 519 C CG1 . ILE A 0 64 . 8.395 10.014 -9.053 1.00 92.17 64 A 1 ATOM 520 C CG2 . ILE A 0 64 . 6.889 11.506 -7.641 1.00 92.17 64 A 1 ATOM 521 C CD1 . ILE A 0 64 . 9.679 10.842 -8.917 1.00 92.17 64 A 1 ATOM 522 N N . LEU A 0 65 . 4.203 11.600 -10.177 1.00 93.04 65 A 1 ATOM 523 C CA . LEU A 0 65 . 2.915 12.300 -10.161 1.00 93.04 65 A 1 ATOM 524 C C . LEU A 0 65 . 1.733 11.328 -10.190 1.00 93.04 65 A 1 ATOM 525 C CB . LEU A 0 65 . 2.815 13.247 -11.365 1.00 93.04 65 A 1 ATOM 526 O O . LEU A 0 65 . 0.791 11.487 -9.414 1.00 93.04 65 A 1 ATOM 527 C CG . LEU A 0 65 . 3.538 14.591 -11.209 1.00 93.04 65 A 1 ATOM 528 C CD1 . LEU A 0 65 . 3.371 15.341 -12.533 1.00 93.04 65 A 1 ATOM 529 C CD2 . LEU A 0 65 . 2.941 15.450 -10.089 1.00 93.04 65 A 1 ATOM 530 N N . MET A 0 66 . 1.786 10.310 -11.053 1.00 92.05 66 A 1 ATOM 531 C CA . MET A 0 66 . 0.730 9.302 -11.130 1.00 92.05 66 A 1 ATOM 532 C C . MET A 0 66 . 0.588 8.521 -9.823 1.00 92.05 66 A 1 ATOM 533 C CB . MET A 0 66 . 0.965 8.356 -12.314 1.00 92.05 66 A 1 ATOM 534 O O . MET A 0 66 . -0.544 8.245 -9.423 1.00 92.05 66 A 1 ATOM 535 C CG . MET A 0 66 . 0.588 9.041 -13.632 1.00 92.05 66 A 1 ATOM 536 S SD . MET A 0 66 . 0.478 7.925 -15.054 1.00 92.05 66 A 1 ATOM 537 C CE . MET A 0 66 . 2.217 7.764 -15.525 1.00 92.05 66 A 1 ATOM 538 N N . PHE A 0 67 . 1.690 8.236 -9.121 1.00 92.52 67 A 1 ATOM 539 C CA . PHE A 0 67 . 1.637 7.649 -7.784 1.00 92.52 67 A 1 ATOM 540 C C . PHE A 0 67 . 0.890 8.554 -6.798 1.00 92.52 67 A 1 ATOM 541 C CB . PHE A 0 67 . 3.045 7.308 -7.277 1.00 92.52 67 A 1 ATOM 542 O O . PHE A 0 67 . -0.043 8.087 -6.157 1.00 92.52 67 A 1 ATOM 543 C CG . PHE A 0 67 . 3.046 6.888 -5.821 1.00 92.52 67 A 1 ATOM 544 C CD1 . PHE A 0 67 . 3.376 7.817 -4.814 1.00 92.52 67 A 1 ATOM 545 C CD2 . PHE A 0 67 . 2.628 5.593 -5.467 1.00 92.52 67 A 1 ATOM 546 C CE1 . PHE A 0 67 . 3.289 7.448 -3.460 1.00 92.52 67 A 1 ATOM 547 C CE2 . PHE A 0 67 . 2.548 5.224 -4.114 1.00 92.52 67 A 1 ATOM 548 C CZ . PHE A 0 67 . 2.881 6.150 -3.111 1.00 92.52 67 A 1 ATOM 549 N N . PHE A 0 68 . 1.219 9.847 -6.702 1.00 93.19 68 A 1 ATOM 550 C CA . PHE A 0 68 . 0.513 10.746 -5.777 1.00 93.19 68 A 1 ATOM 551 C C . PHE A 0 68 . -0.986 10.839 -6.083 1.00 93.19 68 A 1 ATOM 552 C CB . PHE A 0 68 . 1.151 12.141 -5.781 1.00 93.19 68 A 1 ATOM 553 O O . PHE A 0 68 . -1.805 10.746 -5.170 1.00 93.19 68 A 1 ATOM 554 C CG . PHE A 0 68 . 2.409 12.223 -4.944 1.00 93.19 68 A 1 ATOM 555 C CD1 . PHE A 0 68 . 2.313 12.181 -3.541 1.00 93.19 68 A 1 ATOM 556 C CD2 . PHE A 0 68 . 3.672 12.335 -5.553 1.00 93.19 68 A 1 ATOM 557 C CE1 . PHE A 0 68 . 3.476 12.226 -2.751 1.00 93.19 68 A 1 ATOM 558 C CE2 . PHE A 0 68 . 4.834 12.382 -4.762 1.00 93.19 68 A 1 ATOM 559 C CZ . PHE A 0 68 . 4.737 12.322 -3.362 1.00 93.19 68 A 1 ATOM 560 N N . VAL A 0 69 . -1.357 10.962 -7.360 1.00 93.09 69 A 1 ATOM 561 C CA . VAL A 0 69 . -2.766 11.039 -7.775 1.00 93.09 69 A 1 ATOM 562 C C . VAL A 0 69 . -3.512 9.748 -7.436 1.00 93.09 69 A 1 ATOM 563 C CB . VAL A 0 69 . -2.875 11.371 -9.275 1.00 93.09 69 A 1 ATOM 564 O O . VAL A 0 69 . -4.570 9.798 -6.809 1.00 93.09 69 A 1 ATOM 565 C CG1 . VAL A 0 69 . -4.319 11.303 -9.789 1.00 93.09 69 A 1 ATOM 566 C CG2 . VAL A 0 69 . -2.360 12.790 -9.551 1.00 93.09 69 A 1 ATOM 567 N N . THR A 0 70 . -2.967 8.588 -7.809 1.00 91.93 70 A 1 ATOM 568 C CA . THR A 0 70 . -3.610 7.294 -7.522 1.00 91.93 70 A 1 ATOM 569 C C . THR A 0 70 . -3.660 6.996 -6.030 1.00 91.93 70 A 1 ATOM 570 C CB . THR A 0 70 . -2.946 6.115 -8.247 1.00 91.93 70 A 1 ATOM 571 O O . THR A 0 70 . -4.667 6.482 -5.557 1.00 91.93 70 A 1 ATOM 572 C CG2 . THR A 0 70 . -3.289 6.096 -9.733 1.00 91.93 70 A 1 ATOM 573 O OG1 . THR A 0 70 . -1.546 6.140 -8.128 1.00 91.93 70 A 1 ATOM 574 N N . ASN A 0 71 . -2.629 7.366 -5.272 1.00 91.44 71 A 1 ATOM 575 C CA . ASN A 0 71 . -2.566 7.156 -3.831 1.00 91.44 71 A 1 ATOM 576 C C . ASN A 0 71 . -3.610 7.995 -3.074 1.00 91.44 71 A 1 ATOM 577 C CB . ASN A 0 71 . -1.129 7.458 -3.388 1.00 91.44 71 A 1 ATOM 578 O O . ASN A 0 71 . -4.333 7.455 -2.238 1.00 91.44 71 A 1 ATOM 579 C CG . ASN A 0 71 . -0.868 7.025 -1.973 1.00 91.44 71 A 1 ATOM 580 N ND2 . ASN A 0 71 . -0.464 5.794 -1.775 1.00 91.44 71 A 1 ATOM 581 O OD1 . ASN A 0 71 . -1.014 7.776 -1.031 1.00 91.44 71 A 1 ATOM 582 N N . ILE A 0 72 . -3.743 9.284 -3.414 1.00 91.25 72 A 1 ATOM 583 C CA . ILE A 0 72 . -4.784 10.157 -2.849 1.00 91.25 72 A 1 ATOM 584 C C . ILE A 0 72 . -6.171 9.631 -3.221 1.00 91.25 72 A 1 ATOM 585 C CB . ILE A 0 72 . -4.592 11.618 -3.323 1.00 91.25 72 A 1 ATOM 586 O O . ILE A 0 72 . -7.031 9.506 -2.354 1.00 91.25 72 A 1 ATOM 587 C CG1 . ILE A 0 72 . -3.303 12.212 -2.712 1.00 91.25 72 A 1 ATOM 588 C CG2 . ILE A 0 72 . -5.808 12.486 -2.936 1.00 91.25 72 A 1 ATOM 589 C CD1 . ILE A 0 72 . -2.863 13.534 -3.354 1.00 91.25 72 A 1 ATOM 590 N N . CYS A 0 73 . -6.377 9.281 -4.494 1.00 91.68 73 A 1 ATOM 591 C CA . CYS A 0 73 . -7.657 8.767 -4.976 1.00 91.68 73 A 1 ATOM 592 C C . CYS A 0 73 . -8.044 7.457 -4.274 1.00 91.68 73 A 1 ATOM 593 C CB . CYS A 0 73 . -7.558 8.605 -6.498 1.00 91.68 73 A 1 ATOM 594 O O . CYS A 0 73 . -9.186 7.301 -3.854 1.00 91.68 73 A 1 ATOM 595 S SG . CYS A 0 73 . -9.215 8.405 -7.207 1.00 91.68 73 A 1 ATOM 596 N N . PHE A 0 74 . -7.088 6.544 -4.081 1.00 91.17 74 A 1 ATOM 597 C CA . PHE A 0 74 . -7.306 5.273 -3.396 1.00 91.17 74 A 1 ATOM 598 C C . PHE A 0 74 . -7.726 5.472 -1.937 1.00 91.17 74 A 1 ATOM 599 C CB . PHE A 0 74 . -6.031 4.424 -3.492 1.00 91.17 74 A 1 ATOM 600 O O . PHE A 0 74 . -8.717 4.897 -1.496 1.00 91.17 74 A 1 ATOM 601 C CG . PHE A 0 74 . -6.161 3.081 -2.809 1.00 91.17 74 A 1 ATOM 602 C CD1 . PHE A 0 74 . -5.652 2.887 -1.511 1.00 91.17 74 A 1 ATOM 603 C CD2 . PHE A 0 74 . -6.846 2.038 -3.457 1.00 91.17 74 A 1 ATOM 604 C CE1 . PHE A 0 74 . -5.845 1.660 -0.856 1.00 91.17 74 A 1 ATOM 605 C CE2 . PHE A 0 74 . -7.035 0.809 -2.805 1.00 91.17 74 A 1 ATOM 606 C CZ . PHE A 0 74 . -6.543 0.626 -1.503 1.00 91.17 74 A 1 ATOM 607 N N . VAL A 0 75 . -7.010 6.317 -1.194 1.00 88.54 75 A 1 ATOM 608 C CA . VAL A 0 75 . -7.316 6.571 0.223 1.00 88.54 75 A 1 ATOM 609 C C . VAL A 0 75 . -8.622 7.322 0.381 1.00 88.54 75 A 1 ATOM 610 C CB . VAL A 0 75 . -6.162 7.330 0.883 1.00 88.54 75 A 1 ATOM 611 O O . VAL A 0 75 . -9.409 6.982 1.258 1.00 88.54 75 A 1 ATOM 612 C CG1 . VAL A 0 75 . -6.492 7.830 2.297 1.00 88.54 75 A 1 ATOM 613 C CG2 . VAL A 0 75 . -4.959 6.379 0.917 1.00 88.54 75 A 1 ATOM 614 N N . TYR A 0 76 . -8.885 8.293 -0.491 1.00 87.34 76 A 1 ATOM 615 C CA . TYR A 0 76 . -10.159 8.994 -0.502 1.00 87.34 76 A 1 ATOM 616 C C . TYR A 0 76 . -11.315 8.040 -0.818 1.00 87.34 76 A 1 ATOM 617 C CB . TYR A 0 76 . -10.093 10.148 -1.502 1.00 87.34 76 A 1 ATOM 618 O O . TYR A 0 76 . -12.303 8.021 -0.095 1.00 87.34 76 A 1 ATOM 619 C CG . TYR A 0 76 . -11.346 10.992 -1.473 1.00 87.34 76 A 1 ATOM 620 C CD1 . TYR A 0 76 . -12.366 10.782 -2.421 1.00 87.34 76 A 1 ATOM 621 C CD2 . TYR A 0 76 . -11.514 11.944 -0.449 1.00 87.34 76 A 1 ATOM 622 C CE1 . TYR A 0 76 . -13.550 11.540 -2.352 1.00 87.34 76 A 1 ATOM 623 C CE2 . TYR A 0 76 . -12.699 12.696 -0.373 1.00 87.34 76 A 1 ATOM 624 O OH . TYR A 0 76 . -14.864 13.220 -1.264 1.00 87.34 76 A 1 ATOM 625 C CZ . TYR A 0 76 . -13.717 12.497 -1.329 1.00 87.34 76 A 1 ATOM 626 N N . ALA A 0 77 . -11.183 7.187 -1.837 1.00 88.90 77 A 1 ATOM 627 C CA . ALA A 0 77 . -12.199 6.188 -2.158 1.00 88.90 77 A 1 ATOM 628 C C . ALA A 0 77 . -12.417 5.207 -0.995 1.00 88.90 77 A 1 ATOM 629 C CB . ALA A 0 77 . -11.795 5.460 -3.444 1.00 88.90 77 A 1 ATOM 630 O O . ALA A 0 77 . -13.556 4.891 -0.662 1.00 88.90 77 A 1 ATOM 631 N N . TYR A 0 78 . -11.349 4.760 -0.337 1.00 87.67 78 A 1 ATOM 632 C CA . TYR A 0 78 . -11.466 3.858 0.803 1.00 87.67 78 A 1 ATOM 633 C C . TYR A 0 78 . -12.127 4.535 2.016 1.00 87.67 78 A 1 ATOM 634 C CB . TYR A 0 78 . -10.087 3.283 1.131 1.00 87.67 78 A 1 ATOM 635 O O . TYR A 0 78 . -13.111 4.025 2.542 1.00 87.67 78 A 1 ATOM 636 C CG . TYR A 0 78 . -10.150 2.228 2.211 1.00 87.67 78 A 1 ATOM 637 C CD1 . TYR A 0 78 . -9.890 2.580 3.548 1.00 87.67 78 A 1 ATOM 638 C CD2 . TYR A 0 78 . -10.519 0.909 1.885 1.00 87.67 78 A 1 ATOM 639 C CE1 . TYR A 0 78 . -9.976 1.606 4.560 1.00 87.67 78 A 1 ATOM 640 C CE2 . TYR A 0 78 . -10.605 -0.067 2.895 1.00 87.67 78 A 1 ATOM 641 O OH . TYR A 0 78 . -10.390 -0.655 5.205 1.00 87.67 78 A 1 ATOM 642 C CZ . TYR A 0 78 . -10.327 0.282 4.231 1.00 87.67 78 A 1 ATOM 643 N N . ALA A 0 79 . -11.650 5.707 2.437 1.00 85.27 79 A 1 ATOM 644 C CA . ALA A 0 79 . -12.181 6.398 3.611 1.00 85.27 79 A 1 ATOM 645 C C . ALA A 0 79 . -13.586 6.982 3.367 1.00 85.27 79 A 1 ATOM 646 C CB . ALA A 0 79 . -11.174 7.469 4.051 1.00 85.27 79 A 1 ATOM 647 O O . ALA A 0 79 . -14.497 6.736 4.153 1.00 85.27 79 A 1 ATOM 648 N N . ALA A 0 80 . -13.788 7.712 2.267 1.00 83.88 80 A 1 ATOM 649 C CA . ALA A 0 80 . -15.035 8.433 2.007 1.00 83.88 80 A 1 ATOM 650 C C . ALA A 0 80 . -16.135 7.540 1.417 1.00 83.88 80 A 1 ATOM 651 C CB . ALA A 0 80 . -14.744 9.618 1.073 1.00 83.88 80 A 1 ATOM 652 O O . ALA A 0 80 . -17.301 7.677 1.778 1.00 83.88 80 A 1 ATOM 653 N N . ILE A 0 81 . -15.791 6.636 0.490 1.00 82.27 81 A 1 ATOM 654 C CA . ILE A 0 81 . -16.795 5.848 -0.246 1.00 82.27 81 A 1 ATOM 655 C C . ILE A 0 81 . -17.008 4.481 0.403 1.00 82.27 81 A 1 ATOM 656 C CB . ILE A 0 81 . -16.469 5.736 -1.758 1.00 82.27 81 A 1 ATOM 657 O O . ILE A 0 81 . -18.156 4.085 0.593 1.00 82.27 81 A 1 ATOM 658 C CG1 . ILE A 0 81 . -16.247 7.134 -2.381 1.00 82.27 81 A 1 ATOM 659 C CG2 . ILE A 0 81 . -17.586 4.969 -2.492 1.00 82.27 81 A 1 ATOM 660 C CD1 . ILE A 0 81 . -15.839 7.112 -3.859 1.00 82.27 81 A 1 ATOM 661 N N . TYR A 0 82 . -15.928 3.761 0.719 1.00 82.88 82 A 1 ATOM 662 C CA . TYR A 0 82 . -16.016 2.379 1.199 1.00 82.88 82 A 1 ATOM 663 C C . TYR A 0 82 . -16.378 2.300 2.686 1.00 82.88 82 A 1 ATOM 664 C CB . TYR A 0 82 . -14.710 1.639 0.878 1.00 82.88 82 A 1 ATOM 665 O O . TYR A 0 82 . -17.333 1.618 3.059 1.00 82.88 82 A 1 ATOM 666 C CG . TYR A 0 82 . -14.818 0.139 1.019 1.00 82.88 82 A 1 ATOM 667 C CD1 . TYR A 0 82 . -14.265 -0.522 2.132 1.00 82.88 82 A 1 ATOM 668 C CD2 . TYR A 0 82 . -15.503 -0.594 0.036 1.00 82.88 82 A 1 ATOM 669 C CE1 . TYR A 0 82 . -14.435 -1.911 2.293 1.00 82.88 82 A 1 ATOM 670 C CE2 . TYR A 0 82 . -15.647 -1.984 0.173 1.00 82.88 82 A 1 ATOM 671 O OH . TYR A 0 82 . -15.319 -3.984 1.400 1.00 82.88 82 A 1 ATOM 672 C CZ . TYR A 0 82 . -15.127 -2.643 1.304 1.00 82.88 82 A 1 ATOM 673 N N . GLN A 0 83 . -15.658 3.044 3.526 1.00 80.90 83 A 1 ATOM 674 C CA . GLN A 0 83 . -15.886 3.029 4.970 1.00 80.90 83 A 1 ATOM 675 C C . GLN A 0 83 . -16.827 4.133 5.456 1.00 80.90 83 A 1 ATOM 676 C CB . GLN A 0 83 . -14.530 3.022 5.695 1.00 80.90 83 A 1 ATOM 677 O O . GLN A 0 83 . -17.349 4.016 6.561 1.00 80.90 83 A 1 ATOM 678 C CG . GLN A 0 83 . -14.431 1.907 6.744 1.00 80.90 83 A 1 ATOM 679 C CD . GLN A 0 83 . -14.322 0.529 6.096 1.00 80.90 83 A 1 ATOM 680 N NE2 . GLN A 0 83 . -13.676 -0.428 6.712 1.00 80.90 83 A 1 ATOM 681 O OE1 . GLN A 0 83 . -14.817 0.275 5.015 1.00 80.90 83 A 1 ATOM 682 N N . ARG A 0 84 . -17.072 5.159 4.625 1.00 79.28 84 A 1 ATOM 683 C CA . ARG A 0 84 . -17.896 6.340 4.937 1.00 79.28 84 A 1 ATOM 684 C C . ARG A 0 84 . -17.550 6.973 6.282 1.00 79.28 84 A 1 ATOM 685 C CB . ARG A 0 84 . -19.387 6.021 4.833 1.00 79.28 84 A 1 ATOM 686 O O . ARG A 0 84 . -18.427 7.294 7.080 1.00 79.28 84 A 1 ATOM 687 C CG . ARG A 0 84 . -19.797 5.639 3.413 1.00 79.28 84 A 1 ATOM 688 C CD . ARG A 0 84 . -21.291 5.906 3.318 1.00 79.28 84 A 1 ATOM 689 N NE . ARG A 0 84 . -21.804 5.644 1.970 1.00 79.28 84 A 1 ATOM 690 N NH1 . ARG A 0 84 . -23.913 5.055 2.632 1.00 79.28 84 A 1 ATOM 691 N NH2 . ARG A 0 84 . -23.487 5.442 0.468 1.00 79.28 84 A 1 ATOM 692 C CZ . ARG A 0 84 . -23.064 5.382 1.700 1.00 79.28 84 A 1 ATOM 693 N N . VAL A 0 85 . -16.254 7.111 6.526 1.00 76.53 85 A 1 ATOM 694 C CA . VAL A 0 85 . -15.752 7.681 7.771 1.00 76.53 85 A 1 ATOM 695 C C . VAL A 0 85 . -16.094 9.164 7.825 1.00 76.53 85 A 1 ATOM 696 C CB . VAL A 0 85 . -14.239 7.483 7.914 1.00 76.53 85 A 1 ATOM 697 O O . VAL A 0 85 . -15.893 9.871 6.835 1.00 76.53 85 A 1 ATOM 698 C CG1 . VAL A 0 85 . -13.832 7.652 9.366 1.00 76.53 85 A 1 ATOM 699 C CG2 . VAL A 0 85 . -13.783 6.084 7.515 1.00 76.53 85 A 1 ATOM 700 N N . ASP A 0 86 . -16.587 9.627 8.972 1.00 76.74 86 A 1 ATOM 701 C CA . ASP A 0 86 . -16.799 11.051 9.200 1.00 76.74 86 A 1 ATOM 702 C C . ASP A 0 86 . -15.438 11.749 9.324 1.00 76.74 86 A 1 ATOM 703 C CB . ASP A 0 86 . -17.700 11.280 10.422 1.00 76.74 86 A 1 ATOM 704 O O . ASP A 0 86 . -14.596 11.385 10.150 1.00 76.74 86 A 1 ATOM 705 C CG . ASP A 0 86 . -18.350 12.668 10.398 1.00 76.74 86 A 1 ATOM 706 O OD1 . ASP A 0 86 . -17.814 13.545 9.681 1.00 76.74 86 A 1 ATOM 707 O OD2 . ASP A 0 86 . -19.410 12.813 11.048 1.00 76.74 86 A 1 ATOM 708 N N . GLU A 0 87 . -15.183 12.722 8.453 1.00 74.40 87 A 1 ATOM 709 C CA . GLU A 0 87 . -13.878 13.371 8.364 1.00 74.40 87 A 1 ATOM 710 C C . GLU A 0 87 . -13.547 14.167 9.631 1.00 74.40 87 A 1 ATOM 711 C CB . GLU A 0 87 . -13.804 14.216 7.084 1.00 74.40 87 A 1 ATOM 712 O O . GLU A 0 87 . -12.377 14.249 10.017 1.00 74.40 87 A 1 ATOM 713 C CG . GLU A 0 87 . -14.790 15.399 7.013 1.00 74.40 87 A 1 ATOM 714 C CD . GLU A 0 87 . -14.643 16.196 5.706 1.00 74.40 87 A 1 ATOM 715 O OE1 . GLU A 0 87 . -15.665 16.661 5.152 1.00 74.40 87 A 1 ATOM 716 O OE2 . GLU A 0 87 . -13.493 16.321 5.214 1.00 74.40 87 A 1 ATOM 717 N N . ASP A 0 88 . -14.569 14.667 10.325 1.00 77.18 88 A 1 ATOM 718 C CA . ASP A 0 88 . -14.426 15.452 11.550 1.00 77.18 88 A 1 ATOM 719 C C . ASP A 0 88 . -13.819 14.633 12.699 1.00 77.18 88 A 1 ATOM 720 C CB . ASP A 0 88 . -15.802 16.020 11.939 1.00 77.18 88 A 1 ATOM 721 O O . ASP A 0 88 . -13.073 15.164 13.525 1.00 77.18 88 A 1 ATOM 722 C CG . ASP A 0 88 . -16.280 17.164 11.031 1.00 77.18 88 A 1 ATOM 723 O OD1 . ASP A 0 88 . -15.418 17.807 10.385 1.00 77.18 88 A 1 ATOM 724 O OD2 . ASP A 0 88 . -17.489 17.483 11.084 1.00 77.18 88 A 1 ATOM 725 N N . GLU A 0 89 . -14.050 13.319 12.720 1.00 77.27 89 A 1 ATOM 726 C CA . GLU A 0 89 . -13.531 12.422 13.757 1.00 77.27 89 A 1 ATOM 727 C C . GLU A 0 89 . -12.020 12.157 13.601 1.00 77.27 89 A 1 ATOM 728 C CB . GLU A 0 89 . -14.383 11.144 13.740 1.00 77.27 89 A 1 ATOM 729 O O . GLU A 0 89 . -11.309 11.861 14.566 1.00 77.27 89 A 1 ATOM 730 C CG . GLU A 0 89 . -14.113 10.230 14.941 1.00 77.27 89 A 1 ATOM 731 C CD . GLU A 0 89 . -15.163 9.118 15.089 1.00 77.27 89 A 1 ATOM 732 O OE1 . GLU A 0 89 . -15.337 8.656 16.239 1.00 77.27 89 A 1 ATOM 733 O OE2 . GLU A 0 89 . -15.763 8.714 14.066 1.00 77.27 89 A 1 ATOM 734 N N . TYR A 0 90 . -11.489 12.341 12.389 1.00 74.81 90 A 1 ATOM 735 C CA . TYR A 0 90 . -10.094 12.042 12.058 1.00 74.81 90 A 1 ATOM 736 C C . TYR A 0 90 . -9.232 13.291 11.834 1.00 74.81 90 A 1 ATOM 737 C CB . TYR A 0 90 . -10.044 11.036 10.903 1.00 74.81 90 A 1 ATOM 738 O O . TYR A 0 90 . -8.028 13.146 11.624 1.00 74.81 90 A 1 ATOM 739 C CG . TYR A 0 90 . -10.539 9.659 11.310 1.00 74.81 90 A 1 ATOM 740 C CD1 . TYR A 0 90 . -9.632 8.632 11.642 1.00 74.81 90 A 1 ATOM 741 C CD2 . TYR A 0 90 . -11.920 9.430 11.438 1.00 74.81 90 A 1 ATOM 742 C CE1 . TYR A 0 90 . -10.115 7.384 12.088 1.00 74.81 90 A 1 ATOM 743 C CE2 . TYR A 0 90 . -12.398 8.210 11.946 1.00 74.81 90 A 1 ATOM 744 O OH . TYR A 0 90 . -11.962 5.967 12.663 1.00 74.81 90 A 1 ATOM 745 C CZ . TYR A 0 90 . -11.499 7.168 12.233 1.00 74.81 90 A 1 ATOM 746 N N . GLY A 0 91 . -9.795 14.498 11.966 1.00 77.61 91 A 1 ATOM 747 C CA . GLY A 0 91 . -9.092 15.768 11.723 1.00 77.61 91 A 1 ATOM 748 C C . GLY A 0 91 . -9.141 16.233 10.262 1.00 77.61 91 A 1 ATOM 749 O O . GLY A 0 91 . -8.330 17.056 9.838 1.00 77.61 91 A 1 ATOM 750 N N . GLY A 0 92 . -10.089 15.706 9.488 1.00 82.89 92 A 1 ATOM 751 C CA . GLY A 0 92 . -10.279 15.953 8.065 1.00 82.89 92 A 1 ATOM 752 C C . GLY A 0 92 . -9.579 14.918 7.179 1.00 82.89 92 A 1 ATOM 753 O O . GLY A 0 92 . -8.581 14.300 7.561 1.00 82.89 92 A 1 ATOM 754 N N . TYR A 0 93 . -10.036 14.780 5.928 1.00 79.09 93 A 1 ATOM 755 C CA . TYR A 0 93 . -9.393 13.879 4.955 1.00 79.09 93 A 1 ATOM 756 C C . TYR A 0 93 . -7.906 14.188 4.729 1.00 79.09 93 A 1 ATOM 757 C CB . TYR A 0 93 . -10.124 13.941 3.607 1.00 79.09 93 A 1 ATOM 758 O O . TYR A 0 93 . -7.131 13.300 4.374 1.00 79.09 93 A 1 ATOM 759 C CG . TYR A 0 93 . -11.499 13.311 3.617 1.00 79.09 93 A 1 ATOM 760 C CD1 . TYR A 0 93 . -11.635 11.920 3.794 1.00 79.09 93 A 1 ATOM 761 C CD2 . TYR A 0 93 . -12.643 14.113 3.468 1.00 79.09 93 A 1 ATOM 762 C CE1 . TYR A 0 93 . -12.917 11.343 3.851 1.00 79.09 93 A 1 ATOM 763 C CE2 . TYR A 0 93 . -13.926 13.544 3.551 1.00 79.09 93 A 1 ATOM 764 O OH . TYR A 0 93 . -15.295 11.594 3.841 1.00 79.09 93 A 1 ATOM 765 C CZ . TYR A 0 93 . -14.065 12.156 3.749 1.00 79.09 93 A 1 ATOM 766 N N . GLY A 0 94 . -7.483 15.438 4.942 1.00 83.66 94 A 1 ATOM 767 C CA . GLY A 0 94 . -6.088 15.848 4.804 1.00 83.66 94 A 1 ATOM 768 C C . GLY A 0 94 . -5.143 15.141 5.779 1.00 83.66 94 A 1 ATOM 769 O O . GLY A 0 94 . -4.019 14.826 5.389 1.00 83.66 94 A 1 ATOM 770 N N . GLU A 0 95 . -5.588 14.867 7.007 1.00 85.10 95 A 1 ATOM 771 C CA . GLU A 0 95 . -4.796 14.160 8.020 1.00 85.10 95 A 1 ATOM 772 C C . GLU A 0 95 . -4.590 12.698 7.587 1.00 85.10 95 A 1 ATOM 773 C CB . GLU A 0 95 . -5.503 14.259 9.388 1.00 85.10 95 A 1 ATOM 774 O O . GLU A 0 95 . -3.455 12.246 7.433 1.00 85.10 95 A 1 ATOM 775 C CG . GLU A 0 95 . -4.536 14.217 10.587 1.00 85.10 95 A 1 ATOM 776 C CD . GLU A 0 95 . -3.976 15.589 11.009 1.00 85.10 95 A 1 ATOM 777 O OE1 . GLU A 0 95 . -3.280 15.637 12.049 1.00 85.10 95 A 1 ATOM 778 O OE2 . GLU A 0 95 . -4.169 16.581 10.266 1.00 85.10 95 A 1 ATOM 779 N N . ILE A 0 96 . -5.686 12.015 7.230 1.00 82.89 96 A 1 ATOM 780 C CA . ILE A 0 96 . -5.694 10.618 6.762 1.00 82.89 96 A 1 ATOM 781 C C . ILE A 0 96 . -4.842 10.453 5.497 1.00 82.89 96 A 1 ATOM 782 C CB . ILE A 0 96 . -7.143 10.148 6.475 1.00 82.89 96 A 1 ATOM 783 O O . ILE A 0 96 . -4.103 9.481 5.340 1.00 82.89 96 A 1 ATOM 784 C CG1 . ILE A 0 96 . -8.083 10.335 7.690 1.00 82.89 96 A 1 ATOM 785 C CG2 . ILE A 0 96 . -7.151 8.669 6.028 1.00 82.89 96 A 1 ATOM 786 C CD1 . ILE A 0 96 . -9.557 10.059 7.355 1.00 82.89 96 A 1 ATOM 787 N N . ILE A 0 97 . -4.928 11.401 4.557 1.00 85.32 97 A 1 ATOM 788 C CA . ILE A 0 97 . -4.155 11.346 3.312 1.00 85.32 97 A 1 ATOM 789 C C . ILE A 0 97 . -2.657 11.456 3.595 1.00 85.32 97 A 1 ATOM 790 C CB . ILE A 0 97 . -4.638 12.419 2.313 1.00 85.32 97 A 1 ATOM 791 O O . ILE A 0 97 . -1.892 10.721 2.965 1.00 85.32 97 A 1 ATOM 792 C CG1 . ILE A 0 97 . -5.996 11.988 1.714 1.00 85.32 97 A 1 ATOM 793 C CG2 . ILE A 0 97 . -3.621 12.631 1.170 1.00 85.32 97 A 1 ATOM 794 C CD1 . ILE A 0 97 . -6.741 13.127 1.007 1.00 85.32 97 A 1 ATOM 795 N N . LYS A 0 98 . -2.248 12.351 4.504 1.00 85.76 98 A 1 ATOM 796 C CA . LYS A 0 98 . -0.840 12.560 4.879 1.00 85.76 98 A 1 ATOM 797 C C . LYS A 0 98 . -0.284 11.384 5.670 1.00 85.76 98 A 1 ATOM 798 C CB . LYS A 0 98 . -0.718 13.831 5.726 1.00 85.76 98 A 1 ATOM 799 O O . LYS A 0 98 . 0.890 11.042 5.509 1.00 85.76 98 A 1 ATOM 800 C CG . LYS A 0 98 . -0.887 15.117 4.907 1.00 85.76 98 A 1 ATOM 801 C CD . LYS A 0 98 . -1.002 16.294 5.879 1.00 85.76 98 A 1 ATOM 802 C CE . LYS A 0 98 . -1.342 17.595 5.157 1.00 85.76 98 A 1 ATOM 803 N NZ . LYS A 0 98 . -1.617 18.658 6.154 1.00 85.76 98 A 1 ATOM 804 N N . GLU A 0 99 . -1.113 10.761 6.494 1.00 83.62 99 A 1 ATOM 805 C CA . GLU A 0 99 . -0.720 9.617 7.296 1.00 83.62 99 A 1 ATOM 806 C C . GLU A 0 99 . -0.392 8.408 6.406 1.00 83.62 99 A 1 ATOM 807 C CB . GLU A 0 99 . -1.790 9.355 8.354 1.00 83.62 99 A 1 ATOM 808 O O . GLU A 0 99 . -1.164 7.979 5.546 1.00 83.62 99 A 1 ATOM 809 C CG . GLU A 0 99 . -1.249 8.420 9.440 1.00 83.62 99 A 1 ATOM 810 C CD . GLU A 0 99 . -2.061 8.477 10.740 1.00 83.62 99 A 1 ATOM 811 O OE1 . GLU A 0 99 . -1.608 7.811 11.692 1.00 83.62 99 A 1 ATOM 812 O OE2 . GLU A 0 99 . -3.078 9.206 10.789 1.00 83.62 99 A 1 ATOM 813 N N . GLY A 0 100 . 0.835 7.904 6.544 1.00 85.13 100 A 1 ATOM 814 C CA . GLY A 0 100 . 1.368 6.836 5.697 1.00 85.13 100 A 1 ATOM 815 C C . GLY A 0 100 . 1.769 7.252 4.273 1.00 85.13 100 A 1 ATOM 816 O O . GLY A 0 100 . 2.243 6.408 3.514 1.00 85.13 100 A 1 ATOM 817 N N . LEU A 0 101 . 1.639 8.526 3.875 1.00 89.65 101 A 1 ATOM 818 C CA . LEU A 0 101 . 2.014 8.964 2.521 1.00 89.65 101 A 1 ATOM 819 C C . LEU A 0 101 . 3.515 8.794 2.259 1.00 89.65 101 A 1 ATOM 820 C CB . LEU A 0 101 . 1.594 10.429 2.312 1.00 89.65 101 A 1 ATOM 821 O O . LEU A 0 101 . 3.912 8.266 1.222 1.00 89.65 101 A 1 ATOM 822 C CG . LEU A 0 101 . 1.887 10.984 0.904 1.00 89.65 101 A 1 ATOM 823 C CD1 . LEU A 0 101 . 1.081 10.267 -0.180 1.00 89.65 101 A 1 ATOM 824 C CD2 . LEU A 0 101 . 1.542 12.473 0.862 1.00 89.65 101 A 1 ATOM 825 N N . MET A 0 102 . 4.352 9.230 3.202 1.00 92.17 102 A 1 ATOM 826 C CA . MET A 0 102 . 5.810 9.213 3.038 1.00 92.17 102 A 1 ATOM 827 C C . MET A 0 102 . 6.369 7.786 3.020 1.00 92.17 102 A 1 ATOM 828 C CB . MET A 0 102 . 6.450 10.045 4.161 1.00 92.17 102 A 1 ATOM 829 O O . MET A 0 102 . 7.255 7.462 2.228 1.00 92.17 102 A 1 ATOM 830 C CG . MET A 0 102 . 7.937 10.310 3.906 1.00 92.17 102 A 1 ATOM 831 S SD . MET A 0 102 . 8.259 11.310 2.427 1.00 92.17 102 A 1 ATOM 832 C CE . MET A 0 102 . 10.069 11.330 2.457 1.00 92.17 102 A 1 ATOM 833 N N . THR A 0 103 . 5.826 6.909 3.862 1.00 93.32 103 A 1 ATOM 834 C CA . THR A 0 103 . 6.195 5.491 3.898 1.00 93.32 103 A 1 ATOM 835 C C . THR A 0 103 . 5.708 4.763 2.651 1.00 93.32 103 A 1 ATOM 836 C CB . THR A 0 103 . 5.621 4.807 5.143 1.00 93.32 103 A 1 ATOM 837 O O . THR A 0 103 . 6.466 3.981 2.077 1.00 93.32 103 A 1 ATOM 838 C CG2 . THR A 0 103 . 6.347 5.250 6.412 1.00 93.32 103 A 1 ATOM 839 O OG1 . THR A 0 103 . 4.274 5.175 5.277 1.00 93.32 103 A 1 ATOM 840 N N . ALA A 0 104 . 4.486 5.030 2.181 1.00 92.08 104 A 1 ATOM 841 C CA . ALA A 0 104 . 3.984 4.466 0.932 1.00 92.08 104 A 1 ATOM 842 C C . ALA A 0 104 . 4.816 4.934 -0.268 1.00 92.08 104 A 1 ATOM 843 C CB . ALA A 0 104 . 2.507 4.830 0.776 1.00 92.08 104 A 1 ATOM 844 O O . ALA A 0 104 . 5.159 4.123 -1.126 1.00 92.08 104 A 1 ATOM 845 N N . PHE A 0 105 . 5.208 6.212 -0.298 1.00 93.52 105 A 1 ATOM 846 C CA . PHE A 0 105 . 6.097 6.756 -1.322 1.00 93.52 105 A 1 ATOM 847 C C . PHE A 0 105 . 7.452 6.040 -1.341 1.00 93.52 105 A 1 ATOM 848 C CB . PHE A 0 105 . 6.269 8.265 -1.102 1.00 93.52 105 A 1 ATOM 849 O O . PHE A 0 105 . 7.922 5.644 -2.407 1.00 93.52 105 A 1 ATOM 850 C CG . PHE A 0 105 . 7.240 8.902 -2.075 1.00 93.52 105 A 1 ATOM 851 C CD1 . PHE A 0 105 . 8.445 9.466 -1.613 1.00 93.52 105 A 1 ATOM 852 C CD2 . PHE A 0 105 . 6.960 8.882 -3.453 1.00 93.52 105 A 1 ATOM 853 C CE1 . PHE A 0 105 . 9.364 10.009 -2.529 1.00 93.52 105 A 1 ATOM 854 C CE2 . PHE A 0 105 . 7.885 9.412 -4.368 1.00 93.52 105 A 1 ATOM 855 C CZ . PHE A 0 105 . 9.084 9.981 -3.907 1.00 93.52 105 A 1 ATOM 856 N N . ALA A 0 106 . 8.052 5.794 -0.174 1.00 95.74 106 A 1 ATOM 857 C CA . ALA A 0 106 . 9.295 5.035 -0.083 1.00 95.74 106 A 1 ATOM 858 C C . ALA A 0 106 . 9.138 3.598 -0.618 1.00 95.74 106 A 1 ATOM 859 C CB . ALA A 0 106 . 9.783 5.062 1.368 1.00 95.74 106 A 1 ATOM 860 O O . ALA A 0 106 . 9.959 3.150 -1.418 1.00 95.74 106 A 1 ATOM 861 N N . CYS A 0 107 . 8.069 2.885 -0.245 1.00 94.54 107 A 1 ATOM 862 C CA . CYS A 0 107 . 7.821 1.532 -0.760 1.00 94.54 107 A 1 ATOM 863 C C . CYS A 0 107 . 7.541 1.502 -2.264 1.00 94.54 107 A 1 ATOM 864 C CB . CYS A 0 107 . 6.675 0.872 0.009 1.00 94.54 107 A 1 ATOM 865 O O . CYS A 0 107 . 8.018 0.594 -2.949 1.00 94.54 107 A 1 ATOM 866 S SG . CYS A 0 107 . 7.391 -0.012 1.423 1.00 94.54 107 A 1 ATOM 867 N N . PHE A 0 108 . 6.819 2.491 -2.790 1.00 94.27 108 A 1 ATOM 868 C CA . PHE A 0 108 . 6.639 2.662 -4.228 1.00 94.27 108 A 1 ATOM 869 C C . PHE A 0 108 . 7.986 2.853 -4.930 1.00 94.27 108 A 1 ATOM 870 C CB . PHE A 0 108 . 5.698 3.840 -4.497 1.00 94.27 108 A 1 ATOM 871 O O . PHE A 0 108 . 8.284 2.119 -5.863 1.00 94.27 108 A 1 ATOM 872 C CG . PHE A 0 108 . 5.764 4.333 -5.927 1.00 94.27 108 A 1 ATOM 873 C CD1 . PHE A 0 108 . 6.480 5.505 -6.237 1.00 94.27 108 A 1 ATOM 874 C CD2 . PHE A 0 108 . 5.176 3.577 -6.956 1.00 94.27 108 A 1 ATOM 875 C CE1 . PHE A 0 108 . 6.609 5.917 -7.574 1.00 94.27 108 A 1 ATOM 876 C CE2 . PHE A 0 108 . 5.306 3.990 -8.294 1.00 94.27 108 A 1 ATOM 877 C CZ . PHE A 0 108 . 6.024 5.158 -8.602 1.00 94.27 108 A 1 ATOM 878 N N . MET A 0 109 . 8.837 3.765 -4.449 1.00 93.95 109 A 1 ATOM 879 C CA . MET A 0 109 . 10.151 4.017 -5.050 1.00 93.95 109 A 1 ATOM 880 C C . MET A 0 109 . 11.025 2.760 -5.063 1.00 93.95 109 A 1 ATOM 881 C CB . MET A 0 109 . 10.861 5.149 -4.292 1.00 93.95 109 A 1 ATOM 882 O O . MET A 0 109 . 11.607 2.426 -6.092 1.00 93.95 109 A 1 ATOM 883 C CG . MET A 0 109 . 10.260 6.526 -4.599 1.00 93.95 109 A 1 ATOM 884 S SD . MET A 0 109 . 10.504 7.132 -6.294 1.00 93.95 109 A 1 ATOM 885 C CE . MET A 0 109 . 12.292 7.433 -6.283 1.00 93.95 109 A 1 ATOM 886 N N . VAL A 0 110 . 11.083 2.032 -3.944 1.00 95.13 110 A 1 ATOM 887 C CA . VAL A 0 110 . 11.874 0.797 -3.838 1.00 95.13 110 A 1 ATOM 888 C C . VAL A 0 110 . 11.354 -0.274 -4.796 1.00 95.13 110 A 1 ATOM 889 C CB . VAL A 0 110 . 11.899 0.287 -2.384 1.00 95.13 110 A 1 ATOM 890 O O . VAL A 0 110 . 12.132 -0.839 -5.558 1.00 95.13 110 A 1 ATOM 891 C CG1 . VAL A 0 110 . 12.540 -1.100 -2.253 1.00 95.13 110 A 1 ATOM 892 C CG2 . VAL A 0 110 . 12.703 1.243 -1.492 1.00 95.13 110 A 1 ATOM 893 N N . SER A 0 111 . 10.047 -0.543 -4.794 1.00 94.11 111 A 1 ATOM 894 C CA . SER A 0 111 . 9.457 -1.558 -5.677 1.00 94.11 111 A 1 ATOM 895 C C . SER A 0 111 . 9.571 -1.181 -7.156 1.00 94.11 111 A 1 ATOM 896 C CB . SER A 0 111 . 8.000 -1.844 -5.300 1.00 94.11 111 A 1 ATOM 897 O O . SER A 0 111 . 9.879 -2.046 -7.975 1.00 94.11 111 A 1 ATOM 898 O OG . SER A 0 111 . 7.227 -0.665 -5.263 1.00 94.11 111 A 1 ATOM 899 N N . TRP A 0 112 . 9.398 0.096 -7.496 1.00 92.17 112 A 1 ATOM 900 C CA . TRP A 0 112 . 9.519 0.606 -8.858 1.00 92.17 112 A 1 ATOM 901 C C . TRP A 0 112 . 10.944 0.484 -9.397 1.00 92.17 112 A 1 ATOM 902 C CB . TRP A 0 112 . 9.011 2.052 -8.907 1.00 92.17 112 A 1 ATOM 903 O O . TRP A 0 112 . 11.120 -0.112 -10.457 1.00 92.17 112 A 1 ATOM 904 C CG . TRP A 0 112 . 9.091 2.743 -10.233 1.00 92.17 112 A 1 ATOM 905 C CD1 . TRP A 0 112 . 9.022 2.157 -11.448 1.00 92.17 112 A 1 ATOM 906 C CD2 . TRP A 0 112 . 9.289 4.160 -10.495 1.00 92.17 112 A 1 ATOM 907 C CE2 . TRP A 0 112 . 9.363 4.358 -11.905 1.00 92.17 112 A 1 ATOM 908 C CE3 . TRP A 0 112 . 9.440 5.297 -9.674 1.00 92.17 112 A 1 ATOM 909 N NE1 . TRP A 0 112 . 9.163 3.106 -12.444 1.00 92.17 112 A 1 ATOM 910 C CH2 . TRP A 0 112 . 9.782 6.727 -11.618 1.00 92.17 112 A 1 ATOM 911 C CZ2 . TRP A 0 112 . 9.611 5.620 -12.461 1.00 92.17 112 A 1 ATOM 912 C CZ3 . TRP A 0 112 . 9.680 6.567 -10.227 1.00 92.17 112 A 1 ATOM 913 N N . ILE A 0 113 . 11.952 0.967 -8.661 1.00 91.22 113 A 1 ATOM 914 C CA . ILE A 0 113 . 13.361 0.894 -9.085 1.00 91.22 113 A 1 ATOM 915 C C . ILE A 0 113 . 13.796 -0.566 -9.224 1.00 91.22 113 A 1 ATOM 916 C CB . ILE A 0 113 . 14.273 1.678 -8.112 1.00 91.22 113 A 1 ATOM 917 O O . ILE A 0 113 . 14.295 -0.953 -10.275 1.00 91.22 113 A 1 ATOM 918 C CG1 . ILE A 0 113 . 13.958 3.191 -8.182 1.00 91.22 113 A 1 ATOM 919 C CG2 . ILE A 0 113 . 15.761 1.443 -8.442 1.00 91.22 113 A 1 ATOM 920 C CD1 . ILE A 0 113 . 14.556 4.000 -7.023 1.00 91.22 113 A 1 ATOM 921 N N . LEU A 0 114 . 13.525 -1.403 -8.214 1.00 92.94 114 A 1 ATOM 922 C CA . LEU A 0 114 . 13.892 -2.821 -8.259 1.00 92.94 114 A 1 ATOM 923 C C . LEU A 0 114 . 13.253 -3.540 -9.447 1.00 92.94 114 A 1 ATOM 924 C CB . LEU A 0 114 . 13.465 -3.519 -6.956 1.00 92.94 114 A 1 ATOM 925 O O . LEU A 0 114 . 13.916 -4.318 -10.131 1.00 92.94 114 A 1 ATOM 926 C CG . LEU A 0 114 . 14.315 -3.172 -5.724 1.00 92.94 114 A 1 ATOM 927 C CD1 . LEU A 0 114 . 13.694 -3.838 -4.494 1.00 92.94 114 A 1 ATOM 928 C CD2 . LEU A 0 114 . 15.756 -3.669 -5.857 1.00 92.94 114 A 1 ATOM 929 N N . THR A 0 115 . 11.969 -3.285 -9.706 1.00 91.57 115 A 1 ATOM 930 C CA . THR A 0 115 . 11.258 -3.950 -10.802 1.00 91.57 115 A 1 ATOM 931 C C . THR A 0 115 . 11.708 -3.423 -12.160 1.00 91.57 115 A 1 ATOM 932 C CB . THR A 0 115 . 9.740 -3.815 -10.656 1.00 91.57 115 A 1 ATOM 933 O O . THR A 0 115 . 11.855 -4.210 -13.092 1.00 91.57 115 A 1 ATOM 934 C CG2 . THR A 0 115 . 9.009 -4.697 -11.660 1.00 91.57 115 A 1 ATOM 935 O OG1 . THR A 0 115 . 9.330 -4.235 -9.378 1.00 91.57 115 A 1 ATOM 936 N N . TYR A 0 116 . 11.973 -2.120 -12.279 1.00 88.94 116 A 1 ATOM 937 C CA . TYR A 0 116 . 12.505 -1.523 -13.500 1.00 88.94 116 A 1 ATOM 938 C C . TYR A 0 116 . 13.885 -2.097 -13.841 1.00 88.94 116 A 1 ATOM 939 C CB . TYR A 0 116 . 12.556 0.001 -13.344 1.00 88.94 116 A 1 ATOM 940 O O . TYR A 0 116 . 14.088 -2.545 -14.971 1.00 88.94 116 A 1 ATOM 941 C CG . TYR A 0 116 . 12.980 0.710 -14.612 1.00 88.94 116 A 1 ATOM 942 C CD1 . TYR A 0 116 . 14.344 0.977 -14.846 1.00 88.94 116 A 1 ATOM 943 C CD2 . TYR A 0 116 . 12.012 1.073 -15.568 1.00 88.94 116 A 1 ATOM 944 C CE1 . TYR A 0 116 . 14.740 1.609 -16.039 1.00 88.94 116 A 1 ATOM 945 C CE2 . TYR A 0 116 . 12.406 1.717 -16.756 1.00 88.94 116 A 1 ATOM 946 O OH . TYR A 0 116 . 14.149 2.598 -18.143 1.00 88.94 116 A 1 ATOM 947 C CZ . TYR A 0 116 . 13.770 1.981 -16.994 1.00 88.94 116 A 1 ATOM 948 N N . ASP A 0 117 . 14.787 -2.172 -12.859 1.00 89.63 117 A 1 ATOM 949 C CA . ASP A 0 117 . 16.127 -2.744 -13.013 1.00 89.63 117 A 1 ATOM 950 C C . ASP A 0 117 . 16.064 -4.238 -13.354 1.00 89.63 117 A 1 ATOM 951 C CB . ASP A 0 117 . 16.937 -2.545 -11.719 1.00 89.63 117 A 1 ATOM 952 O O . ASP A 0 117 . 16.788 -4.709 -14.229 1.00 89.63 117 A 1 ATOM 953 C CG . ASP A 0 117 . 17.350 -1.094 -11.444 1.00 89.63 117 A 1 ATOM 954 O OD1 . ASP A 0 117 . 17.238 -0.253 -12.367 1.00 89.63 117 A 1 ATOM 955 O OD2 . ASP A 0 117 . 17.822 -0.850 -10.310 1.00 89.63 117 A 1 ATOM 956 N N . CYS A 0 118 . 15.160 -4.994 -12.726 1.00 88.64 118 A 1 ATOM 957 C CA . CYS A 0 118 . 14.982 -6.414 -13.034 1.00 88.64 118 A 1 ATOM 958 C C . CYS A 0 118 . 14.406 -6.642 -14.442 1.00 88.64 118 A 1 ATOM 959 C CB . CYS A 0 118 . 14.091 -7.066 -11.969 1.00 88.64 118 A 1 ATOM 960 O O . CYS A 0 118 . 14.852 -7.547 -15.144 1.00 88.64 118 A 1 ATOM 961 S SG . CYS A 0 118 . 14.992 -7.231 -10.401 1.00 88.64 118 A 1 ATOM 962 N N . ALA A 0 119 . 13.426 -5.839 -14.866 1.00 86.52 119 A 1 ATOM 963 C CA . ALA A 0 119 . 12.760 -5.999 -16.159 1.00 86.52 119 A 1 ATOM 964 C C . ALA A 0 119 . 13.597 -5.472 -17.339 1.00 86.52 119 A 1 ATOM 965 C CB . ALA A 0 119 . 11.389 -5.314 -16.083 1.00 86.52 119 A 1 ATOM 966 O O . ALA A 0 119 . 13.542 -6.037 -18.431 1.00 86.52 119 A 1 ATOM 967 N N . HIS A 0 120 . 14.378 -4.406 -17.134 1.00 80.98 120 A 1 ATOM 968 C CA . HIS A 0 120 . 15.098 -3.712 -18.209 1.00 80.98 120 A 1 ATOM 969 C C . HIS A 0 120 . 16.618 -3.825 -18.101 1.00 80.98 120 A 1 ATOM 970 C CB . HIS A 0 120 . 14.666 -2.241 -18.250 1.00 80.98 120 A 1 ATOM 971 O O . HIS A 0 120 . 17.297 -3.818 -19.126 1.00 80.98 120 A 1 ATOM 972 C CG . HIS A 0 120 . 13.186 -2.090 -18.456 1.00 80.98 120 A 1 ATOM 973 C CD2 . HIS A 0 120 . 12.532 -2.101 -19.655 1.00 80.98 120 A 1 ATOM 974 N ND1 . HIS A 0 120 . 12.235 -2.061 -17.465 1.00 80.98 120 A 1 ATOM 975 C CE1 . HIS A 0 120 . 11.028 -2.081 -18.049 1.00 80.98 120 A 1 ATOM 976 N NE2 . HIS A 0 120 . 11.166 -2.097 -19.384 1.00 80.98 120 A 1 ATOM 977 N N . GLY A 0 121 . 17.169 -3.973 -16.894 1.00 69.70 121 A 1 ATOM 978 C CA . GLY A 0 121 . 18.610 -4.100 -16.674 1.00 69.70 121 A 1 ATOM 979 C C . GLY A 0 121 . 19.184 -5.402 -17.233 1.00 69.70 121 A 1 ATOM 980 O O . GLY A 0 121 . 20.272 -5.386 -17.808 1.00 69.70 121 A 1 ATOM 981 N N . VAL A 0 122 . 18.428 -6.507 -17.185 1.00 62.99 122 A 1 ATOM 982 C CA . VAL A 0 122 . 18.851 -7.802 -17.760 1.00 62.99 122 A 1 ATOM 983 C C . VAL A 0 122 . 19.013 -7.738 -19.286 1.00 62.99 122 A 1 ATOM 984 C CB . VAL A 0 122 . 17.886 -8.932 -17.341 1.00 62.99 122 A 1 ATOM 985 O O . VAL A 0 122 . 19.859 -8.432 -19.841 1.00 62.99 122 A 1 ATOM 986 C CG1 . VAL A 0 122 . 18.231 -10.287 -17.977 1.00 62.99 122 A 1 ATOM 987 C CG2 . VAL A 0 122 . 17.918 -9.124 -15.817 1.00 62.99 122 A 1 ATOM 988 N N . ASN A 0 123 . 18.288 -6.855 -19.979 1.00 57.46 123 A 1 ATOM 989 C CA . ASN A 0 123 . 18.423 -6.712 -21.434 1.00 57.46 123 A 1 ATOM 990 C C . ASN A 0 123 . 19.714 -5.988 -21.858 1.00 57.46 123 A 1 ATOM 991 C CB . ASN A 0 123 . 17.167 -6.025 -21.994 1.00 57.46 123 A 1 ATOM 992 O O . ASN A 0 123 . 20.033 -5.964 -23.043 1.00 57.46 123 A 1 ATOM 993 C CG . ASN A 0 123 . 15.921 -6.883 -21.864 1.00 57.46 123 A 1 ATOM 994 N ND2 . ASN A 0 123 . 14.772 -6.273 -21.692 1.00 57.46 123 A 1 ATOM 995 O OD1 . ASN A 0 123 . 15.952 -8.100 -21.911 1.00 57.46 123 A 1 ATOM 996 N N . SER A 0 124 . 20.465 -5.396 -20.921 1.00 58.64 124 A 1 ATOM 997 C CA . SER A 0 124 . 21.701 -4.663 -21.231 1.00 58.64 124 A 1 ATOM 998 C C . SER A 0 124 . 22.983 -5.510 -21.168 1.00 58.64 124 A 1 ATOM 999 C CB . SER A 0 124 . 21.786 -3.378 -20.401 1.00 58.64 124 A 1 ATOM 1000 O O . SER A 0 124 . 24.036 -5.032 -21.585 1.00 58.64 124 A 1 ATOM 1001 O OG . SER A 0 124 . 21.917 -3.608 -19.012 1.00 58.64 124 A 1 ATOM 1002 N N . THR A 0 125 . 22.916 -6.772 -20.724 1.00 57.12 125 A 1 ATOM 1003 C CA . THR A 0 125 . 24.085 -7.660 -20.541 1.00 57.12 125 A 1 ATOM 1004 C C . THR A 0 125 . 24.263 -8.743 -21.618 1.00 57.12 125 A 1 ATOM 1005 C CB . THR A 0 125 . 24.120 -8.256 -19.120 1.00 57.12 125 A 1 ATOM 1006 O O . THR A 0 125 . 24.988 -9.708 -21.396 1.00 57.12 125 A 1 ATOM 1007 C CG2 . THR A 0 125 . 24.624 -7.239 -18.099 1.00 57.12 125 A 1 ATOM 1008 O OG1 . THR A 0 125 . 22.833 -8.649 -18.701 1.00 57.12 125 A 1 ATOM 1009 N N . THR A 0 126 . 23.669 -8.607 -22.808 1.00 51.26 126 A 1 ATOM 1010 C CA . THR A 0 126 . 23.855 -9.573 -23.916 1.00 51.26 126 A 1 ATOM 1011 C C . THR A 0 126 . 25.027 -9.255 -24.863 1.00 51.26 126 A 1 ATOM 1012 C CB . THR A 0 126 . 22.554 -9.820 -24.699 1.00 51.26 126 A 1 ATOM 1013 O O . THR A 0 126 . 24.853 -9.346 -26.077 1.00 51.26 126 A 1 ATOM 1014 C CG2 . THR A 0 126 . 21.469 -10.467 -23.841 1.00 51.26 126 A 1 ATOM 1015 O OG1 . THR A 0 126 . 22.060 -8.609 -25.216 1.00 51.26 126 A 1 ATOM 1016 N N . TRP A 0 127 . 26.218 -8.927 -24.348 1.00 51.23 127 A 1 ATOM 1017 C CA . TRP A 0 127 . 27.457 -8.898 -25.148 1.00 51.23 127 A 1 ATOM 1018 C C . TRP A 0 127 . 28.617 -9.563 -24.414 1.00 51.23 127 A 1 ATOM 1019 C CB . TRP A 0 127 . 27.815 -7.473 -25.588 1.00 51.23 127 A 1 ATOM 1020 O O . TRP A 0 127 . 28.864 -9.179 -23.249 1.00 51.23 127 A 1 ATOM 1021 C CG . TRP A 0 127 . 26.770 -6.775 -26.402 1.00 51.23 127 A 1 ATOM 1022 C CD1 . TRP A 0 127 . 25.918 -5.842 -25.924 1.00 51.23 127 A 1 ATOM 1023 C CD2 . TRP A 0 127 . 26.403 -6.974 -27.804 1.00 51.23 127 A 1 ATOM 1024 C CE2 . TRP A 0 127 . 25.314 -6.102 -28.107 1.00 51.23 127 A 1 ATOM 1025 C CE3 . TRP A 0 127 . 26.862 -7.810 -28.846 1.00 51.23 127 A 1 ATOM 1026 N NE1 . TRP A 0 127 . 25.060 -5.437 -26.926 1.00 51.23 127 A 1 ATOM 1027 C CH2 . TRP A 0 127 . 25.205 -6.891 -30.393 1.00 51.23 127 A 1 ATOM 1028 C CZ2 . TRP A 0 127 . 24.719 -6.051 -29.377 1.00 51.23 127 A 1 ATOM 1029 C CZ3 . TRP A 0 127 . 26.272 -7.769 -30.126 1.00 51.23 127 A 1 ATOM 1030 O OXT . TRP A 0 127 . 29.223 -10.448 -25.052 1.00 51.23 127 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 82.41 # loop_ _atom_type.symbol C N O S #