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 PHE 0 3 SER 0 4 THR 0 5 LEU 0 6 SER 0 7 THR 0 8 PHE 0 9 ARG 0 10 LYS 0 11 HIS 0 12 GLU 0 13 PHE 0 14 GLU 0 15 LYS 0 16 HIS 0 17 GLY 0 18 LEU 0 19 CYS 0 20 ALA 0 21 VAL 0 22 GLU 0 23 ASP 0 24 PRO 0 25 GLN 0 26 VAL 0 27 PHE 0 28 ASN 0 29 GLN 0 30 TYR 0 31 GLY 0 32 TYR 0 33 PHE 0 34 LYS 0 35 PHE 0 36 GLY 0 37 ILE 0 38 GLN 0 39 LEU 0 40 MET 0 41 GLN 0 42 LYS 0 43 LEU 0 44 ASN 0 45 LEU 0 46 LEU 0 47 LYS 0 48 THR 0 49 LEU 0 50 MET 0 51 LYS 0 52 TYR 0 53 ARG 0 54 ILE 0 55 SER 0 56 PRO 0 57 HIS 0 58 ASP 0 59 SER 0 60 ARG 0 61 GLN 0 62 TYR 0 63 ASP 0 64 THR 0 65 ILE 0 66 ASN 0 67 LEU 0 68 MET 0 69 ASN 0 70 VAL 0 71 LEU 0 72 GLU 0 73 ARG 0 74 GLU 0 75 PHE 0 76 GLY 0 77 TYR 0 78 ASN 0 79 GLY 0 80 SER 0 81 ALA 0 82 ASN 0 83 CYS 0 84 ILE 0 85 ARG 0 86 LYS 0 87 PRO 0 88 GLY 0 89 ARG 0 90 ARG 0 91 GLY 0 92 MET 0 93 TYR 0 94 HIS 0 95 LEU 0 96 GLU 0 97 GLU 0 98 VAL 0 99 ARG 0 100 VAL 0 101 CYS 0 102 LEU 0 103 ASN 0 104 ARG 0 105 LYS 0 106 HIS 0 107 GLU 0 108 PHE 0 109 MET 0 110 ASN 0 111 CYS 0 112 PRO 0 113 PHE 0 114 LEU 0 115 GLY 0 116 ASN 0 117 CYS 0 118 PRO 0 119 VAL 0 120 LYS 0 121 PHE 0 122 ASN 0 123 PHE 0 124 PRO 0 125 GLN 0 126 PHE 0 127 GLN # 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 . -1.336 20.306 -6.640 1.00 62.83 1 A 1 ATOM 2 C CA . MET A 0 1 . -0.700 19.901 -5.367 1.00 62.83 1 A 1 ATOM 3 C C . MET A 0 1 . -1.181 20.869 -4.292 1.00 62.83 1 A 1 ATOM 4 C CB . MET A 0 1 . 0.830 19.899 -5.531 1.00 62.83 1 A 1 ATOM 5 O O . MET A 0 1 . -1.211 22.061 -4.572 1.00 62.83 1 A 1 ATOM 6 C CG . MET A 0 1 . 1.568 19.171 -4.405 1.00 62.83 1 A 1 ATOM 7 S SD . MET A 0 1 . 3.357 19.056 -4.682 1.00 62.83 1 A 1 ATOM 8 C CE . MET A 0 1 . 3.484 17.617 -5.782 1.00 62.83 1 A 1 ATOM 9 N N . PHE A 0 2 . -1.660 20.384 -3.143 1.00 77.72 2 A 1 ATOM 10 C CA . PHE A 0 2 . -2.181 21.249 -2.071 1.00 77.72 2 A 1 ATOM 11 C C . PHE A 0 2 . -1.041 21.990 -1.364 1.00 77.72 2 A 1 ATOM 12 C CB . PHE A 0 2 . -2.999 20.417 -1.071 1.00 77.72 2 A 1 ATOM 13 O O . PHE A 0 2 . 0.039 21.431 -1.201 1.00 77.72 2 A 1 ATOM 14 C CG . PHE A 0 2 . -4.210 19.750 -1.691 1.00 77.72 2 A 1 ATOM 15 C CD1 . PHE A 0 2 . -5.382 20.496 -1.922 1.00 77.72 2 A 1 ATOM 16 C CD2 . PHE A 0 2 . -4.157 18.397 -2.076 1.00 77.72 2 A 1 ATOM 17 C CE1 . PHE A 0 2 . -6.493 19.893 -2.534 1.00 77.72 2 A 1 ATOM 18 C CE2 . PHE A 0 2 . -5.264 17.800 -2.705 1.00 77.72 2 A 1 ATOM 19 C CZ . PHE A 0 2 . -6.430 18.547 -2.932 1.00 77.72 2 A 1 ATOM 20 N N . SER A 0 3 . -1.280 23.233 -0.939 1.00 82.35 3 A 1 ATOM 21 C CA . SER A 0 3 . -0.262 24.090 -0.310 1.00 82.35 3 A 1 ATOM 22 C C . SER A 0 3 . 0.119 23.650 1.103 1.00 82.35 3 A 1 ATOM 23 C CB . SER A 0 3 . -0.780 25.531 -0.253 1.00 82.35 3 A 1 ATOM 24 O O . SER A 0 3 . 1.251 23.851 1.532 1.00 82.35 3 A 1 ATOM 25 O OG . SER A 0 3 . -2.057 25.556 0.365 1.00 82.35 3 A 1 ATOM 26 N N . THR A 0 4 . -0.818 23.052 1.839 1.00 92.51 4 A 1 ATOM 27 C CA . THR A 0 4 . -0.604 22.578 3.208 1.00 92.51 4 A 1 ATOM 28 C C . THR A 0 4 . -1.353 21.274 3.459 1.00 92.51 4 A 1 ATOM 29 C CB . THR A 0 4 . -1.043 23.619 4.255 1.00 92.51 4 A 1 ATOM 30 O O . THR A 0 4 . -2.377 20.985 2.833 1.00 92.51 4 A 1 ATOM 31 C CG2 . THR A 0 4 . -0.395 24.993 4.097 1.00 92.51 4 A 1 ATOM 32 O OG1 . THR A 0 4 . -2.441 23.795 4.205 1.00 92.51 4 A 1 ATOM 33 N N . LEU A 0 5 . -0.892 20.514 4.455 1.00 91.84 5 A 1 ATOM 34 C CA . LEU A 0 5 . -1.590 19.327 4.955 1.00 91.84 5 A 1 ATOM 35 C C . LEU A 0 5 . -3.010 19.654 5.450 1.00 91.84 5 A 1 ATOM 36 C CB . LEU A 0 5 . -0.726 18.721 6.073 1.00 91.84 5 A 1 ATOM 37 O O . LEU A 0 5 . -3.923 18.853 5.267 1.00 91.84 5 A 1 ATOM 38 C CG . LEU A 0 5 . -1.309 17.470 6.756 1.00 91.84 5 A 1 ATOM 39 C CD1 . LEU A 0 5 . -1.568 16.328 5.773 1.00 91.84 5 A 1 ATOM 40 C CD2 . LEU A 0 5 . -0.315 16.995 7.814 1.00 91.84 5 A 1 ATOM 41 N N . SER A 0 6 . -3.216 20.833 6.047 1.00 92.46 6 A 1 ATOM 42 C CA . SER A 0 6 . -4.546 21.291 6.463 1.00 92.46 6 A 1 ATOM 43 C C . SER A 0 6 . -5.472 21.525 5.269 1.00 92.46 6 A 1 ATOM 44 C CB . SER A 0 6 . -4.449 22.555 7.327 1.00 92.46 6 A 1 ATOM 45 O O . SER A 0 6 . -6.623 21.099 5.312 1.00 92.46 6 A 1 ATOM 46 O OG . SER A 0 6 . -3.706 23.583 6.691 1.00 92.46 6 A 1 ATOM 47 N N . THR A 0 7 . -4.967 22.120 4.184 1.00 94.73 7 A 1 ATOM 48 C CA . THR A 0 7 . -5.733 22.347 2.948 1.00 94.73 7 A 1 ATOM 49 C C . THR A 0 7 . -6.102 21.024 2.283 1.00 94.73 7 A 1 ATOM 50 C CB . THR A 0 7 . -4.947 23.222 1.959 1.00 94.73 7 A 1 ATOM 51 O O . THR A 0 7 . -7.245 20.847 1.869 1.00 94.73 7 A 1 ATOM 52 C CG2 . THR A 0 7 . -5.770 23.610 0.733 1.00 94.73 7 A 1 ATOM 53 O OG1 . THR A 0 7 . -4.574 24.431 2.575 1.00 94.73 7 A 1 ATOM 54 N N . PHE A 0 8 . -5.167 20.070 2.243 1.00 94.95 8 A 1 ATOM 55 C CA . PHE A 0 8 . -5.435 18.721 1.746 1.00 94.95 8 A 1 ATOM 56 C C . PHE A 0 8 . -6.520 18.019 2.570 1.00 94.95 8 A 1 ATOM 57 C CB . PHE A 0 8 . -4.136 17.908 1.748 1.00 94.95 8 A 1 ATOM 58 O O . PHE A 0 8 . -7.527 17.589 2.023 1.00 94.95 8 A 1 ATOM 59 C CG . PHE A 0 8 . -4.326 16.447 1.388 1.00 94.95 8 A 1 ATOM 60 C CD1 . PHE A 0 8 . -3.856 15.431 2.241 1.00 94.95 8 A 1 ATOM 61 C CD2 . PHE A 0 8 . -5.012 16.094 0.213 1.00 94.95 8 A 1 ATOM 62 C CE1 . PHE A 0 8 . -4.053 14.079 1.904 1.00 94.95 8 A 1 ATOM 63 C CE2 . PHE A 0 8 . -5.177 14.748 -0.144 1.00 94.95 8 A 1 ATOM 64 C CZ . PHE A 0 8 . -4.703 13.738 0.705 1.00 94.95 8 A 1 ATOM 65 N N . ARG A 0 9 . -6.377 17.970 3.900 1.00 94.23 9 A 1 ATOM 66 C CA . ARG A 0 9 . -7.379 17.342 4.778 1.00 94.23 9 A 1 ATOM 67 C C . ARG A 0 9 . -8.747 18.010 4.660 1.00 94.23 9 A 1 ATOM 68 C CB . ARG A 0 9 . -6.895 17.377 6.231 1.00 94.23 9 A 1 ATOM 69 O O . ARG A 0 9 . -9.758 17.317 4.635 1.00 94.23 9 A 1 ATOM 70 C CG . ARG A 0 9 . -5.754 16.385 6.479 1.00 94.23 9 A 1 ATOM 71 C CD . ARG A 0 9 . -5.207 16.600 7.892 1.00 94.23 9 A 1 ATOM 72 N NE . ARG A 0 9 . -4.133 15.644 8.210 1.00 94.23 9 A 1 ATOM 73 N NH1 . ARG A 0 9 . -3.587 16.498 10.271 1.00 94.23 9 A 1 ATOM 74 N NH2 . ARG A 0 9 . -2.521 14.694 9.506 1.00 94.23 9 A 1 ATOM 75 C CZ . ARG A 0 9 . -3.420 15.619 9.321 1.00 94.23 9 A 1 ATOM 76 N N . LYS A 0 10 . -8.793 19.340 4.562 1.00 95.17 10 A 1 ATOM 77 C CA . LYS A 0 10 . -10.043 20.069 4.326 1.00 95.17 10 A 1 ATOM 78 C C . LYS A 0 10 . -10.702 19.611 3.022 1.00 95.17 10 A 1 ATOM 79 C CB . LYS A 0 10 . -9.775 21.580 4.353 1.00 95.17 10 A 1 ATOM 80 O O . LYS A 0 10 . -11.870 19.245 3.051 1.00 95.17 10 A 1 ATOM 81 C CG . LYS A 0 10 . -11.084 22.355 4.180 1.00 95.17 10 A 1 ATOM 82 C CD . LYS A 0 10 . -10.877 23.873 4.192 1.00 95.17 10 A 1 ATOM 83 C CE . LYS A 0 10 . -12.257 24.473 3.928 1.00 95.17 10 A 1 ATOM 84 N NZ . LYS A 0 10 . -12.286 25.947 3.866 1.00 95.17 10 A 1 ATOM 85 N N . HIS A 0 11 . -9.942 19.559 1.925 1.00 96.06 11 A 1 ATOM 86 C CA . HIS A 0 11 . -10.434 19.077 0.634 1.00 96.06 11 A 1 ATOM 87 C C . HIS A 0 11 . -10.994 17.655 0.719 1.00 96.06 11 A 1 ATOM 88 C CB . HIS A 0 11 . -9.305 19.134 -0.403 1.00 96.06 11 A 1 ATOM 89 O O . HIS A 0 11 . -12.116 17.420 0.282 1.00 96.06 11 A 1 ATOM 90 C CG . HIS A 0 11 . -9.744 18.658 -1.764 1.00 96.06 11 A 1 ATOM 91 C CD2 . HIS A 0 11 . -9.545 17.422 -2.330 1.00 96.06 11 A 1 ATOM 92 N ND1 . HIS A 0 11 . -10.436 19.416 -2.674 1.00 96.06 11 A 1 ATOM 93 C CE1 . HIS A 0 11 . -10.617 18.679 -3.776 1.00 96.06 11 A 1 ATOM 94 N NE2 . HIS A 0 11 . -10.083 17.458 -3.630 1.00 96.06 11 A 1 ATOM 95 N N . GLU A 0 12 . -10.242 16.725 1.314 1.00 95.94 12 A 1 ATOM 96 C CA . GLU A 0 12 . -10.669 15.329 1.450 1.00 95.94 12 A 1 ATOM 97 C C . GLU A 0 12 . -11.964 15.202 2.257 1.00 95.94 12 A 1 ATOM 98 C CB . GLU A 0 12 . -9.559 14.506 2.127 1.00 95.94 12 A 1 ATOM 99 O O . GLU A 0 12 . -12.871 14.463 1.877 1.00 95.94 12 A 1 ATOM 100 C CG . GLU A 0 12 . -8.304 14.332 1.259 1.00 95.94 12 A 1 ATOM 101 C CD . GLU A 0 12 . -8.634 13.729 -0.109 1.00 95.94 12 A 1 ATOM 102 O OE1 . GLU A 0 12 . -8.241 14.344 -1.127 1.00 95.94 12 A 1 ATOM 103 O OE2 . GLU A 0 12 . -9.327 12.690 -0.112 1.00 95.94 12 A 1 ATOM 104 N N . PHE A 0 13 . -12.093 15.947 3.356 1.00 96.12 13 A 1 ATOM 105 C CA . PHE A 0 13 . -13.306 15.888 4.163 1.00 96.12 13 A 1 ATOM 106 C C . PHE A 0 13 . -14.508 16.531 3.458 1.00 96.12 13 A 1 ATOM 107 C CB . PHE A 0 13 . -13.051 16.505 5.539 1.00 96.12 13 A 1 ATOM 108 O O . PHE A 0 13 . -15.567 15.913 3.388 1.00 96.12 13 A 1 ATOM 109 C CG . PHE A 0 13 . -14.254 16.370 6.449 1.00 96.12 13 A 1 ATOM 110 C CD1 . PHE A 0 13 . -15.019 17.501 6.791 1.00 96.12 13 A 1 ATOM 111 C CD2 . PHE A 0 13 . -14.661 15.093 6.882 1.00 96.12 13 A 1 ATOM 112 C CE1 . PHE A 0 13 . -16.179 17.355 7.570 1.00 96.12 13 A 1 ATOM 113 C CE2 . PHE A 0 13 . -15.838 14.946 7.636 1.00 96.12 13 A 1 ATOM 114 C CZ . PHE A 0 13 . -16.591 16.078 7.989 1.00 96.12 13 A 1 ATOM 115 N N . GLU A 0 14 . -14.353 17.732 2.896 1.00 96.27 14 A 1 ATOM 116 C CA . GLU A 0 14 . -15.452 18.447 2.232 1.00 96.27 14 A 1 ATOM 117 C C . GLU A 0 14 . -15.926 17.738 0.958 1.00 96.27 14 A 1 ATOM 118 C CB . GLU A 0 14 . -15.028 19.891 1.908 1.00 96.27 14 A 1 ATOM 119 O O . GLU A 0 14 . -17.123 17.704 0.683 1.00 96.27 14 A 1 ATOM 120 C CG . GLU A 0 14 . -14.931 20.762 3.171 1.00 96.27 14 A 1 ATOM 121 C CD . GLU A 0 14 . -14.505 22.216 2.895 1.00 96.27 14 A 1 ATOM 122 O OE1 . GLU A 0 14 . -14.681 23.056 3.808 1.00 96.27 14 A 1 ATOM 123 O OE2 . GLU A 0 14 . -13.897 22.511 1.840 1.00 96.27 14 A 1 ATOM 124 N N . LYS A 0 15 . -15.007 17.147 0.187 1.00 95.84 15 A 1 ATOM 125 C CA . LYS A 0 15 . -15.330 16.487 -1.084 1.00 95.84 15 A 1 ATOM 126 C C . LYS A 0 15 . -15.789 15.038 -0.925 1.00 95.84 15 A 1 ATOM 127 C CB . LYS A 0 15 . -14.107 16.586 -1.997 1.00 95.84 15 A 1 ATOM 128 O O . LYS A 0 15 . -16.593 14.576 -1.730 1.00 95.84 15 A 1 ATOM 129 C CG . LYS A 0 15 . -14.402 16.098 -3.419 1.00 95.84 15 A 1 ATOM 130 C CD . LYS A 0 15 . -13.135 16.260 -4.248 1.00 95.84 15 A 1 ATOM 131 C CE . LYS A 0 15 . -13.288 15.623 -5.623 1.00 95.84 15 A 1 ATOM 132 N NZ . LYS A 0 15 . -11.957 15.550 -6.263 1.00 95.84 15 A 1 ATOM 133 N N . HIS A 0 16 . -15.251 14.310 0.054 1.00 95.26 16 A 1 ATOM 134 C CA . HIS A 0 16 . -15.476 12.867 0.189 1.00 95.26 16 A 1 ATOM 135 C C . HIS A 0 16 . -16.107 12.494 1.533 1.00 95.26 16 A 1 ATOM 136 C CB . HIS A 0 16 . -14.156 12.118 -0.077 1.00 95.26 16 A 1 ATOM 137 O O . HIS A 0 16 . -17.086 11.749 1.559 1.00 95.26 16 A 1 ATOM 138 C CG . HIS A 0 16 . -13.599 12.380 -1.456 1.00 95.26 16 A 1 ATOM 139 C CD2 . HIS A 0 16 . -12.374 12.899 -1.798 1.00 95.26 16 A 1 ATOM 140 N ND1 . HIS A 0 16 . -14.276 12.142 -2.626 1.00 95.26 16 A 1 ATOM 141 C CE1 . HIS A 0 16 . -13.483 12.487 -3.648 1.00 95.26 16 A 1 ATOM 142 N NE2 . HIS A 0 16 . -12.324 12.990 -3.203 1.00 95.26 16 A 1 ATOM 143 N N . GLY A 0 17 . -15.600 13.041 2.640 1.00 94.92 17 A 1 ATOM 144 C CA . GLY A 0 17 . -16.087 12.722 3.987 1.00 94.92 17 A 1 ATOM 145 C C . GLY A 0 17 . -17.549 13.103 4.234 1.00 94.92 17 A 1 ATOM 146 O O . GLY A 0 17 . -18.296 12.311 4.805 1.00 94.92 17 A 1 ATOM 147 N N . LEU A 0 18 . -17.991 14.267 3.746 1.00 95.49 18 A 1 ATOM 148 C CA . LEU A 0 18 . -19.374 14.737 3.919 1.00 95.49 18 A 1 ATOM 149 C C . LEU A 0 18 . -20.433 13.819 3.282 1.00 95.49 18 A 1 ATOM 150 C CB . LEU A 0 18 . -19.510 16.170 3.373 1.00 95.49 18 A 1 ATOM 151 O O . LEU A 0 18 . -21.583 13.836 3.708 1.00 95.49 18 A 1 ATOM 152 C CG . LEU A 0 18 . -18.829 17.259 4.220 1.00 95.49 18 A 1 ATOM 153 C CD1 . LEU A 0 18 . -19.063 18.626 3.576 1.00 95.49 18 A 1 ATOM 154 C CD2 . LEU A 0 18 . -19.372 17.325 5.652 1.00 95.49 18 A 1 ATOM 155 N N . CYS A 0 19 . -20.069 12.987 2.303 1.00 95.10 19 A 1 ATOM 156 C CA . CYS A 0 19 . -20.991 12.025 1.691 1.00 95.10 19 A 1 ATOM 157 C C . CYS A 0 19 . -21.197 10.753 2.528 1.00 95.10 19 A 1 ATOM 158 C CB . CYS A 0 19 . -20.477 11.660 0.294 1.00 95.10 19 A 1 ATOM 159 O O . CYS A 0 19 . -22.087 9.965 2.220 1.00 95.10 19 A 1 ATOM 160 S SG . CYS A 0 19 . -20.433 13.124 -0.779 1.00 95.10 19 A 1 ATOM 161 N N . ALA A 0 20 . -20.375 10.529 3.555 1.00 92.72 20 A 1 ATOM 162 C CA . ALA A 0 20 . -20.416 9.337 4.399 1.00 92.72 20 A 1 ATOM 163 C C . ALA A 0 20 . -21.016 9.616 5.788 1.00 92.72 20 A 1 ATOM 164 C CB . ALA A 0 20 . -19.006 8.740 4.454 1.00 92.72 20 A 1 ATOM 165 O O . ALA A 0 20 . -20.900 8.788 6.685 1.00 92.72 20 A 1 ATOM 166 N N . VAL A 0 21 . -21.661 10.773 5.983 1.00 91.32 21 A 1 ATOM 167 C CA . VAL A 0 21 . -22.134 11.211 7.309 1.00 91.32 21 A 1 ATOM 168 C C . VAL A 0 21 . -23.230 10.324 7.913 1.00 91.32 21 A 1 ATOM 169 C CB . VAL A 0 21 . -22.567 12.685 7.327 1.00 91.32 21 A 1 ATOM 170 O O . VAL A 0 21 . -23.449 10.362 9.119 1.00 91.32 21 A 1 ATOM 171 C CG1 . VAL A 0 21 . -21.356 13.594 7.085 1.00 91.32 21 A 1 ATOM 172 C CG2 . VAL A 0 21 . -23.676 12.983 6.311 1.00 91.32 21 A 1 ATOM 173 N N . GLU A 0 22 . -23.895 9.509 7.090 1.00 92.88 22 A 1 ATOM 174 C CA . GLU A 0 22 . -24.881 8.510 7.525 1.00 92.88 22 A 1 ATOM 175 C C . GLU A 0 22 . -24.242 7.306 8.237 1.00 92.88 22 A 1 ATOM 176 C CB . GLU A 0 22 . -25.679 8.008 6.308 1.00 92.88 22 A 1 ATOM 177 O O . GLU A 0 22 . -24.932 6.574 8.946 1.00 92.88 22 A 1 ATOM 178 C CG . GLU A 0 22 . -26.491 9.110 5.607 1.00 92.88 22 A 1 ATOM 179 C CD . GLU A 0 22 . -27.310 8.593 4.408 1.00 92.88 22 A 1 ATOM 180 O OE1 . GLU A 0 22 . -28.167 9.368 3.930 1.00 92.88 22 A 1 ATOM 181 O OE2 . GLU A 0 22 . -27.072 7.448 3.947 1.00 92.88 22 A 1 ATOM 182 N N . ASP A 0 23 . -22.936 7.083 8.063 1.00 94.50 23 A 1 ATOM 183 C CA . ASP A 0 23 . -22.221 5.981 8.698 1.00 94.50 23 A 1 ATOM 184 C C . ASP A 0 23 . -21.766 6.359 10.124 1.00 94.50 23 A 1 ATOM 185 C CB . ASP A 0 23 . -21.043 5.555 7.827 1.00 94.50 23 A 1 ATOM 186 O O . ASP A 0 23 . -20.953 7.277 10.292 1.00 94.50 23 A 1 ATOM 187 C CG . ASP A 0 23 . -20.356 4.317 8.407 1.00 94.50 23 A 1 ATOM 188 O OD1 . ASP A 0 23 . -19.882 4.364 9.569 1.00 94.50 23 A 1 ATOM 189 O OD2 . ASP A 0 23 . -20.353 3.286 7.714 1.00 94.50 23 A 1 ATOM 190 N N . PRO A 0 24 . -22.197 5.629 11.172 1.00 93.58 24 A 1 ATOM 191 C CA . PRO A 0 24 . -21.866 5.953 12.563 1.00 93.58 24 A 1 ATOM 192 C C . PRO A 0 24 . -20.372 5.929 12.930 1.00 93.58 24 A 1 ATOM 193 C CB . PRO A 0 24 . -22.625 4.924 13.407 1.00 93.58 24 A 1 ATOM 194 O O . PRO A 0 24 . -20.007 6.434 13.991 1.00 93.58 24 A 1 ATOM 195 C CG . PRO A 0 24 . -23.787 4.497 12.517 1.00 93.58 24 A 1 ATOM 196 C CD . PRO A 0 24 . -23.174 4.549 11.126 1.00 93.58 24 A 1 ATOM 197 N N . GLN A 0 25 . -19.491 5.338 12.120 1.00 92.07 25 A 1 ATOM 198 C CA . GLN A 0 25 . -18.040 5.330 12.358 1.00 92.07 25 A 1 ATOM 199 C C . GLN A 0 25 . -17.339 6.537 11.728 1.00 92.07 25 A 1 ATOM 200 C CB . GLN A 0 25 . -17.405 4.033 11.836 1.00 92.07 25 A 1 ATOM 201 O O . GLN A 0 25 . -16.293 6.961 12.227 1.00 92.07 25 A 1 ATOM 202 C CG . GLN A 0 25 . -17.981 2.785 12.514 1.00 92.07 25 A 1 ATOM 203 C CD . GLN A 0 25 . -17.255 1.509 12.104 1.00 92.07 25 A 1 ATOM 204 N NE2 . GLN A 0 25 . -17.944 0.548 11.524 1.00 92.07 25 A 1 ATOM 205 O OE1 . GLN A 0 25 . -16.069 1.326 12.330 1.00 92.07 25 A 1 ATOM 206 N N . VAL A 0 26 . -17.907 7.106 10.660 1.00 93.98 26 A 1 ATOM 207 C CA . VAL A 0 26 . -17.314 8.224 9.904 1.00 93.98 26 A 1 ATOM 208 C C . VAL A 0 26 . -18.216 9.460 9.815 1.00 93.98 26 A 1 ATOM 209 C CB . VAL A 0 26 . -16.761 7.775 8.536 1.00 93.98 26 A 1 ATOM 210 O O . VAL A 0 26 . -17.914 10.383 9.064 1.00 93.98 26 A 1 ATOM 211 C CG1 . VAL A 0 26 . -15.675 6.708 8.703 1.00 93.98 26 A 1 ATOM 212 C CG2 . VAL A 0 26 . -17.821 7.210 7.604 1.00 93.98 26 A 1 ATOM 213 N N . PHE A 0 27 . -19.258 9.532 10.651 1.00 94.17 27 A 1 ATOM 214 C CA . PHE A 0 27 . -20.276 10.594 10.665 1.00 94.17 27 A 1 ATOM 215 C C . PHE A 0 27 . -19.757 12.027 10.862 1.00 94.17 27 A 1 ATOM 216 C CB . PHE A 0 27 . -21.333 10.299 11.737 1.00 94.17 27 A 1 ATOM 217 O O . PHE A 0 27 . -20.480 12.997 10.648 1.00 94.17 27 A 1 ATOM 218 C CG . PHE A 0 27 . -20.880 10.515 13.168 1.00 94.17 27 A 1 ATOM 219 C CD1 . PHE A 0 27 . -20.110 9.535 13.811 1.00 94.17 27 A 1 ATOM 220 C CD2 . PHE A 0 27 . -21.260 11.671 13.873 1.00 94.17 27 A 1 ATOM 221 C CE1 . PHE A 0 27 . -19.776 9.664 15.168 1.00 94.17 27 A 1 ATOM 222 C CE2 . PHE A 0 27 . -20.921 11.812 15.232 1.00 94.17 27 A 1 ATOM 223 C CZ . PHE A 0 27 . -20.196 10.798 15.885 1.00 94.17 27 A 1 ATOM 224 N N . ASN A 0 28 . -18.514 12.186 11.313 1.00 94.95 28 A 1 ATOM 225 C CA . ASN A 0 28 . -17.881 13.481 11.513 1.00 94.95 28 A 1 ATOM 226 C C . ASN A 0 28 . -16.410 13.452 11.079 1.00 94.95 28 A 1 ATOM 227 C CB . ASN A 0 28 . -18.094 13.915 12.978 1.00 94.95 28 A 1 ATOM 228 O O . ASN A 0 28 . -15.841 12.398 10.790 1.00 94.95 28 A 1 ATOM 229 C CG . ASN A 0 28 . -17.348 13.069 13.995 1.00 94.95 28 A 1 ATOM 230 N ND2 . ASN A 0 28 . -17.957 12.751 15.106 1.00 94.95 28 A 1 ATOM 231 O OD1 . ASN A 0 28 . -16.189 12.726 13.841 1.00 94.95 28 A 1 ATOM 232 N N . GLN A 0 29 . -15.772 14.624 11.079 1.00 95.36 29 A 1 ATOM 233 C CA . GLN A 0 29 . -14.380 14.783 10.655 1.00 95.36 29 A 1 ATOM 234 C C . GLN A 0 29 . -13.413 13.867 11.418 1.00 95.36 29 A 1 ATOM 235 C CB . GLN A 0 29 . -13.998 16.261 10.824 1.00 95.36 29 A 1 ATOM 236 O O . GLN A 0 29 . -12.541 13.246 10.810 1.00 95.36 29 A 1 ATOM 237 C CG . GLN A 0 29 . -12.664 16.582 10.138 1.00 95.36 29 A 1 ATOM 238 C CD . GLN A 0 29 . -12.206 18.020 10.341 1.00 95.36 29 A 1 ATOM 239 N NE2 . GLN A 0 29 . -11.237 18.482 9.582 1.00 95.36 29 A 1 ATOM 240 O OE1 . GLN A 0 29 . -12.675 18.755 11.188 1.00 95.36 29 A 1 ATOM 241 N N . TYR A 0 30 . -13.567 13.756 12.740 1.00 96.38 30 A 1 ATOM 242 C CA . TYR A 0 30 . -12.712 12.904 13.564 1.00 96.38 30 A 1 ATOM 243 C C . TYR A 0 30 . -12.877 11.423 13.201 1.00 96.38 30 A 1 ATOM 244 C CB . TYR A 0 30 . -13.005 13.164 15.048 1.00 96.38 30 A 1 ATOM 245 O O . TYR A 0 30 . -11.877 10.738 12.987 1.00 96.38 30 A 1 ATOM 246 C CG . TYR A 0 30 . -12.266 12.225 15.980 1.00 96.38 30 A 1 ATOM 247 C CD1 . TYR A 0 30 . -12.905 11.064 16.456 1.00 96.38 30 A 1 ATOM 248 C CD2 . TYR A 0 30 . -10.934 12.496 16.345 1.00 96.38 30 A 1 ATOM 249 C CE1 . TYR A 0 30 . -12.215 10.174 17.297 1.00 96.38 30 A 1 ATOM 250 C CE2 . TYR A 0 30 . -10.238 11.608 17.189 1.00 96.38 30 A 1 ATOM 251 O OH . TYR A 0 30 . -10.214 9.567 18.465 1.00 96.38 30 A 1 ATOM 252 C CZ . TYR A 0 30 . -10.880 10.442 17.663 1.00 96.38 30 A 1 ATOM 253 N N . GLY A 0 31 . -14.119 10.945 13.081 1.00 96.52 31 A 1 ATOM 254 C CA . GLY A 0 31 . -14.444 9.575 12.684 1.00 96.52 31 A 1 ATOM 255 C C . GLY A 0 31 . -13.885 9.226 11.307 1.00 96.52 31 A 1 ATOM 256 O O . GLY A 0 31 . -13.164 8.239 11.178 1.00 96.52 31 A 1 ATOM 257 N N . TYR A 0 32 . -14.112 10.089 10.311 1.00 97.03 32 A 1 ATOM 258 C CA . TYR A 0 32 . -13.615 9.925 8.940 1.00 97.03 32 A 1 ATOM 259 C C . TYR A 0 32 . -12.095 9.717 8.883 1.00 97.03 32 A 1 ATOM 260 C CB . TYR A 0 32 . -14.037 11.149 8.113 1.00 97.03 32 A 1 ATOM 261 O O . TYR A 0 32 . -11.611 8.723 8.336 1.00 97.03 32 A 1 ATOM 262 C CG . TYR A 0 32 . -13.537 11.121 6.681 1.00 97.03 32 A 1 ATOM 263 C CD1 . TYR A 0 32 . -12.432 11.906 6.288 1.00 97.03 32 A 1 ATOM 264 C CD2 . TYR A 0 32 . -14.173 10.285 5.744 1.00 97.03 32 A 1 ATOM 265 C CE1 . TYR A 0 32 . -11.975 11.866 4.954 1.00 97.03 32 A 1 ATOM 266 C CE2 . TYR A 0 32 . -13.709 10.234 4.417 1.00 97.03 32 A 1 ATOM 267 O OH . TYR A 0 32 . -12.196 10.971 2.723 1.00 97.03 32 A 1 ATOM 268 C CZ . TYR A 0 32 . -12.615 11.027 4.015 1.00 97.03 32 A 1 ATOM 269 N N . PHE A 0 33 . -11.321 10.615 9.504 1.00 97.29 33 A 1 ATOM 270 C CA . PHE A 0 33 . -9.860 10.494 9.496 1.00 97.29 33 A 1 ATOM 271 C C . PHE A 0 33 . -9.356 9.341 10.365 1.00 97.29 33 A 1 ATOM 272 C CB . PHE A 0 33 . -9.204 11.818 9.907 1.00 97.29 33 A 1 ATOM 273 O O . PHE A 0 33 . -8.411 8.657 9.966 1.00 97.29 33 A 1 ATOM 274 C CG . PHE A 0 33 . -9.278 12.875 8.827 1.00 97.29 33 A 1 ATOM 275 C CD1 . PHE A 0 33 . -8.604 12.674 7.607 1.00 97.29 33 A 1 ATOM 276 C CD2 . PHE A 0 33 . -10.046 14.036 9.016 1.00 97.29 33 A 1 ATOM 277 C CE1 . PHE A 0 33 . -8.744 13.603 6.564 1.00 97.29 33 A 1 ATOM 278 C CE2 . PHE A 0 33 . -10.200 14.957 7.969 1.00 97.29 33 A 1 ATOM 279 C CZ . PHE A 0 33 . -9.563 14.726 6.742 1.00 97.29 33 A 1 ATOM 280 N N . LYS A 0 34 . -9.973 9.094 11.527 1.00 97.31 34 A 1 ATOM 281 C CA . LYS A 0 34 . -9.620 7.960 12.392 1.00 97.31 34 A 1 ATOM 282 C C . LYS A 0 34 . -9.801 6.637 11.651 1.00 97.31 34 A 1 ATOM 283 C CB . LYS A 0 34 . -10.459 8.015 13.676 1.00 97.31 34 A 1 ATOM 284 O O . LYS A 0 34 . -8.873 5.831 11.637 1.00 97.31 34 A 1 ATOM 285 C CG . LYS A 0 34 . -10.172 6.829 14.607 1.00 97.31 34 A 1 ATOM 286 C CD . LYS A 0 34 . -11.021 6.941 15.874 1.00 97.31 34 A 1 ATOM 287 C CE . LYS A 0 34 . -10.804 5.716 16.762 1.00 97.31 34 A 1 ATOM 288 N NZ . LYS A 0 34 . -11.646 5.795 17.981 1.00 97.31 34 A 1 ATOM 289 N N . PHE A 0 35 . -10.949 6.449 11.005 1.00 96.53 35 A 1 ATOM 290 C CA . PHE A 0 35 . -11.252 5.261 10.216 1.00 96.53 35 A 1 ATOM 291 C C . PHE A 0 35 . -10.242 5.072 9.079 1.00 96.53 35 A 1 ATOM 292 C CB . PHE A 0 35 . -12.679 5.378 9.674 1.00 96.53 35 A 1 ATOM 293 O O . PHE A 0 35 . -9.634 4.008 8.975 1.00 96.53 35 A 1 ATOM 294 C CG . PHE A 0 35 . -13.084 4.197 8.822 1.00 96.53 35 A 1 ATOM 295 C CD1 . PHE A 0 35 . -12.902 4.239 7.426 1.00 96.53 35 A 1 ATOM 296 C CD2 . PHE A 0 35 . -13.609 3.042 9.429 1.00 96.53 35 A 1 ATOM 297 C CE1 . PHE A 0 35 . -13.225 3.119 6.642 1.00 96.53 35 A 1 ATOM 298 C CE2 . PHE A 0 35 . -13.933 1.924 8.643 1.00 96.53 35 A 1 ATOM 299 C CZ . PHE A 0 35 . -13.732 1.961 7.252 1.00 96.53 35 A 1 ATOM 300 N N . GLY A 0 36 . -9.985 6.117 8.282 1.00 96.14 36 A 1 ATOM 301 C CA . GLY A 0 36 . -9.028 6.050 7.172 1.00 96.14 36 A 1 ATOM 302 C C . GLY A 0 36 . -7.608 5.672 7.614 1.00 96.14 36 A 1 ATOM 303 O O . GLY A 0 36 . -6.970 4.819 6.996 1.00 96.14 36 A 1 ATOM 304 N N . ILE A 0 37 . -7.120 6.243 8.722 1.00 96.98 37 A 1 ATOM 305 C CA . ILE A 0 37 . -5.793 5.922 9.275 1.00 96.98 37 A 1 ATOM 306 C C . ILE A 0 37 . -5.741 4.478 9.792 1.00 96.98 37 A 1 ATOM 307 C CB . ILE A 0 37 . -5.406 6.942 10.373 1.00 96.98 37 A 1 ATOM 308 O O . ILE A 0 37 . -4.780 3.761 9.504 1.00 96.98 37 A 1 ATOM 309 C CG1 . ILE A 0 37 . -5.163 8.334 9.742 1.00 96.98 37 A 1 ATOM 310 C CG2 . ILE A 0 37 . -4.147 6.492 11.145 1.00 96.98 37 A 1 ATOM 311 C CD1 . ILE A 0 37 . -5.107 9.476 10.766 1.00 96.98 37 A 1 ATOM 312 N N . GLN A 0 38 . -6.762 4.033 10.530 1.00 97.06 38 A 1 ATOM 313 C CA . GLN A 0 38 . -6.839 2.657 11.035 1.00 97.06 38 A 1 ATOM 314 C C . GLN A 0 38 . -6.901 1.640 9.889 1.00 97.06 38 A 1 ATOM 315 C CB . GLN A 0 38 . -8.069 2.506 11.942 1.00 97.06 38 A 1 ATOM 316 O O . GLN A 0 38 . -6.215 0.616 9.933 1.00 97.06 38 A 1 ATOM 317 C CG . GLN A 0 38 . -7.865 3.183 13.305 1.00 97.06 38 A 1 ATOM 318 C CD . GLN A 0 38 . -9.088 3.050 14.207 1.00 97.06 38 A 1 ATOM 319 N NE2 . GLN A 0 38 . -8.901 2.878 15.498 1.00 97.06 38 A 1 ATOM 320 O OE1 . GLN A 0 38 . -10.235 3.088 13.804 1.00 97.06 38 A 1 ATOM 321 N N . LEU A 0 39 . -7.666 1.941 8.836 1.00 96.02 39 A 1 ATOM 322 C CA . LEU A 0 39 . -7.744 1.117 7.635 1.00 96.02 39 A 1 ATOM 323 C C . LEU A 0 39 . -6.384 1.027 6.935 1.00 96.02 39 A 1 ATOM 324 C CB . LEU A 0 39 . -8.835 1.685 6.713 1.00 96.02 39 A 1 ATOM 325 O O . LEU A 0 39 . -5.927 -0.076 6.645 1.00 96.02 39 A 1 ATOM 326 C CG . LEU A 0 39 . -9.046 0.863 5.430 1.00 96.02 39 A 1 ATOM 327 C CD1 . LEU A 0 39 . -9.574 -0.544 5.724 1.00 96.02 39 A 1 ATOM 328 C CD2 . LEU A 0 39 . -10.028 1.598 4.524 1.00 96.02 39 A 1 ATOM 329 N N . MET A 0 40 . -5.697 2.155 6.727 1.00 95.72 40 A 1 ATOM 330 C CA . MET A 0 40 . -4.353 2.189 6.135 1.00 95.72 40 A 1 ATOM 331 C C . MET A 0 40 . -3.362 1.311 6.919 1.00 95.72 40 A 1 ATOM 332 C CB . MET A 0 40 . -3.873 3.648 6.094 1.00 95.72 40 A 1 ATOM 333 O O . MET A 0 40 . -2.619 0.528 6.323 1.00 95.72 40 A 1 ATOM 334 C CG . MET A 0 40 . -2.487 3.812 5.454 1.00 95.72 40 A 1 ATOM 335 S SD . MET A 0 40 . -1.659 5.377 5.850 1.00 95.72 40 A 1 ATOM 336 C CE . MET A 0 40 . -1.290 5.119 7.608 1.00 95.72 40 A 1 ATOM 337 N N . GLN A 0 41 . -3.368 1.407 8.253 1.00 96.40 41 A 1 ATOM 338 C CA . GLN A 0 41 . -2.510 0.596 9.124 1.00 96.40 41 A 1 ATOM 339 C C . GLN A 0 41 . -2.837 -0.899 9.028 1.00 96.40 41 A 1 ATOM 340 C CB . GLN A 0 41 . -2.660 1.067 10.576 1.00 96.40 41 A 1 ATOM 341 O O . GLN A 0 41 . -1.920 -1.715 8.924 1.00 96.40 41 A 1 ATOM 342 C CG . GLN A 0 41 . -1.991 2.424 10.832 1.00 96.40 41 A 1 ATOM 343 C CD . GLN A 0 41 . -2.249 2.946 12.243 1.00 96.40 41 A 1 ATOM 344 N NE2 . GLN A 0 41 . -1.523 3.954 12.676 1.00 96.40 41 A 1 ATOM 345 O OE1 . GLN A 0 41 . -3.091 2.476 12.989 1.00 96.40 41 A 1 ATOM 346 N N . LYS A 0 42 . -4.128 -1.256 9.026 1.00 94.78 42 A 1 ATOM 347 C CA . LYS A 0 42 . -4.597 -2.644 8.904 1.00 94.78 42 A 1 ATOM 348 C C . LYS A 0 42 . -4.237 -3.256 7.549 1.00 94.78 42 A 1 ATOM 349 C CB . LYS A 0 42 . -6.113 -2.682 9.162 1.00 94.78 42 A 1 ATOM 350 O O . LYS A 0 42 . -3.804 -4.402 7.507 1.00 94.78 42 A 1 ATOM 351 C CG . LYS A 0 42 . -6.687 -4.109 9.111 1.00 94.78 42 A 1 ATOM 352 C CD . LYS A 0 42 . -8.198 -4.107 9.379 1.00 94.78 42 A 1 ATOM 353 C CE . LYS A 0 42 . -8.761 -5.529 9.243 1.00 94.78 42 A 1 ATOM 354 N NZ . LYS A 0 42 . -10.241 -5.553 9.394 1.00 94.78 42 A 1 ATOM 355 N N . LEU A 0 43 . -4.405 -2.502 6.461 1.00 94.72 43 A 1 ATOM 356 C CA . LEU A 0 43 . -4.073 -2.942 5.103 1.00 94.72 43 A 1 ATOM 357 C C . LEU A 0 43 . -2.576 -3.207 4.931 1.00 94.72 43 A 1 ATOM 358 C CB . LEU A 0 43 . -4.512 -1.861 4.095 1.00 94.72 43 A 1 ATOM 359 O O . LEU A 0 43 . -2.198 -4.145 4.233 1.00 94.72 43 A 1 ATOM 360 C CG . LEU A 0 43 . -6.027 -1.763 3.865 1.00 94.72 43 A 1 ATOM 361 C CD1 . LEU A 0 43 . -6.338 -0.560 2.975 1.00 94.72 43 A 1 ATOM 362 C CD2 . LEU A 0 43 . -6.551 -3.002 3.160 1.00 94.72 43 A 1 ATOM 363 N N . ASN A 0 44 . -1.737 -2.352 5.531 1.00 94.80 44 A 1 ATOM 364 C CA . ASN A 0 44 . -0.276 -2.405 5.441 1.00 94.80 44 A 1 ATOM 365 C C . ASN A 0 44 . 0.227 -2.634 4.001 1.00 94.80 44 A 1 ATOM 366 C CB . ASN A 0 44 . 0.259 -3.410 6.468 1.00 94.80 44 A 1 ATOM 367 O O . ASN A 0 44 . 1.104 -3.460 3.736 1.00 94.80 44 A 1 ATOM 368 C CG . ASN A 0 44 . 1.712 -3.160 6.816 1.00 94.80 44 A 1 ATOM 369 N ND2 . ASN A 0 44 . 2.182 -3.770 7.877 1.00 94.80 44 A 1 ATOM 370 O OD1 . ASN A 0 44 . 2.438 -2.388 6.212 1.00 94.80 44 A 1 ATOM 371 N N . LEU A 0 45 . -0.385 -1.909 3.059 1.00 95.85 45 A 1 ATOM 372 C CA . LEU A 0 45 . -0.353 -2.239 1.638 1.00 95.85 45 A 1 ATOM 373 C C . LEU A 0 45 . 1.069 -2.350 1.079 1.00 95.85 45 A 1 ATOM 374 C CB . LEU A 0 45 . -1.178 -1.182 0.888 1.00 95.85 45 A 1 ATOM 375 O O . LEU A 0 45 . 1.365 -3.295 0.358 1.00 95.85 45 A 1 ATOM 376 C CG . LEU A 0 45 . -1.271 -1.424 -0.627 1.00 95.85 45 A 1 ATOM 377 C CD1 . LEU A 0 45 . -1.962 -2.744 -0.972 1.00 95.85 45 A 1 ATOM 378 C CD2 . LEU A 0 45 . -2.067 -0.288 -1.253 1.00 95.85 45 A 1 ATOM 379 N N . LEU A 0 46 . 1.973 -1.437 1.446 1.00 95.78 46 A 1 ATOM 380 C CA . LEU A 0 46 . 3.361 -1.488 0.982 1.00 95.78 46 A 1 ATOM 381 C C . LEU A 0 46 . 4.060 -2.788 1.410 1.00 95.78 46 A 1 ATOM 382 C CB . LEU A 0 46 . 4.110 -0.246 1.495 1.00 95.78 46 A 1 ATOM 383 O O . LEU A 0 46 . 4.700 -3.440 0.586 1.00 95.78 46 A 1 ATOM 384 C CG . LEU A 0 46 . 5.594 -0.198 1.078 1.00 95.78 46 A 1 ATOM 385 C CD1 . LEU A 0 46 . 5.772 -0.175 -0.442 1.00 95.78 46 A 1 ATOM 386 C CD2 . LEU A 0 46 . 6.247 1.051 1.665 1.00 95.78 46 A 1 ATOM 387 N N . LYS A 0 47 . 3.904 -3.201 2.674 1.00 96.51 47 A 1 ATOM 388 C CA . LYS A 0 47 . 4.487 -4.452 3.180 1.00 96.51 47 A 1 ATOM 389 C C . LYS A 0 47 . 3.889 -5.662 2.466 1.00 96.51 47 A 1 ATOM 390 C CB . LYS A 0 47 . 4.266 -4.532 4.695 1.00 96.51 47 A 1 ATOM 391 O O . LYS A 0 47 . 4.623 -6.589 2.123 1.00 96.51 47 A 1 ATOM 392 C CG . LYS A 0 47 . 5.017 -5.709 5.330 1.00 96.51 47 A 1 ATOM 393 C CD . LYS A 0 47 . 4.767 -5.750 6.841 1.00 96.51 47 A 1 ATOM 394 C CE . LYS A 0 47 . 5.555 -6.902 7.472 1.00 96.51 47 A 1 ATOM 395 N NZ . LYS A 0 47 . 5.354 -6.960 8.943 1.00 96.51 47 A 1 ATOM 396 N N . THR A 0 48 . 2.583 -5.633 2.210 1.00 95.77 48 A 1 ATOM 397 C CA . THR A 0 48 . 1.877 -6.656 1.432 1.00 95.77 48 A 1 ATOM 398 C C . THR A 0 48 . 2.449 -6.753 0.017 1.00 95.77 48 A 1 ATOM 399 C CB . THR A 0 48 . 0.370 -6.359 1.419 1.00 95.77 48 A 1 ATOM 400 O O . THR A 0 48 . 2.851 -7.833 -0.399 1.00 95.77 48 A 1 ATOM 401 C CG2 . THR A 0 48 . -0.452 -7.406 0.673 1.00 95.77 48 A 1 ATOM 402 O OG1 . THR A 0 48 . -0.058 -6.328 2.762 1.00 95.77 48 A 1 ATOM 403 N N . LEU A 0 49 . 2.603 -5.642 -0.706 1.00 97.08 49 A 1 ATOM 404 C CA . LEU A 0 49 . 3.207 -5.642 -2.045 1.00 97.08 49 A 1 ATOM 405 C C . LEU A 0 49 . 4.652 -6.172 -2.029 1.00 97.08 49 A 1 ATOM 406 C CB . LEU A 0 49 . 3.133 -4.219 -2.629 1.00 97.08 49 A 1 ATOM 407 O O . LEU A 0 49 . 5.020 -7.014 -2.853 1.00 97.08 49 A 1 ATOM 408 C CG . LEU A 0 49 . 1.711 -3.709 -2.927 1.00 97.08 49 A 1 ATOM 409 C CD1 . LEU A 0 49 . 1.789 -2.294 -3.500 1.00 97.08 49 A 1 ATOM 410 C CD2 . LEU A 0 49 . 0.961 -4.603 -3.911 1.00 97.08 49 A 1 ATOM 411 N N . MET A 0 50 . 5.453 -5.766 -1.040 1.00 96.82 50 A 1 ATOM 412 C CA . MET A 0 50 . 6.837 -6.226 -0.888 1.00 96.82 50 A 1 ATOM 413 C C . MET A 0 50 . 6.937 -7.733 -0.603 1.00 96.82 50 A 1 ATOM 414 C CB . MET A 0 50 . 7.532 -5.430 0.221 1.00 96.82 50 A 1 ATOM 415 O O . MET A 0 50 . 7.832 -8.385 -1.144 1.00 96.82 50 A 1 ATOM 416 C CG . MET A 0 50 . 7.814 -3.983 -0.195 1.00 96.82 50 A 1 ATOM 417 S SD . MET A 0 50 . 8.481 -2.950 1.138 1.00 96.82 50 A 1 ATOM 418 C CE . MET A 0 50 . 10.117 -3.697 1.368 1.00 96.82 50 A 1 ATOM 419 N N . LYS A 0 51 . 6.002 -8.314 0.167 1.00 97.07 51 A 1 ATOM 420 C CA . LYS A 0 51 . 5.885 -9.774 0.380 1.00 97.07 51 A 1 ATOM 421 C C . LYS A 0 51 . 5.750 -10.531 -0.950 1.00 97.07 51 A 1 ATOM 422 C CB . LYS A 0 51 . 4.692 -10.043 1.321 1.00 97.07 51 A 1 ATOM 423 O O . LYS A 0 51 . 6.291 -11.626 -1.081 1.00 97.07 51 A 1 ATOM 424 C CG . LYS A 0 51 . 4.320 -11.521 1.554 1.00 97.07 51 A 1 ATOM 425 C CD . LYS A 0 51 . 2.978 -11.595 2.304 1.00 97.07 51 A 1 ATOM 426 C CE . LYS A 0 51 . 2.405 -13.016 2.391 1.00 97.07 51 A 1 ATOM 427 N NZ . LYS A 0 51 . 0.967 -12.986 2.788 1.00 97.07 51 A 1 ATOM 428 N N . TYR A 0 52 . 5.112 -9.924 -1.951 1.00 97.22 52 A 1 ATOM 429 C CA . TYR A 0 52 . 4.975 -10.461 -3.313 1.00 97.22 52 A 1 ATOM 430 C C . TYR A 0 52 . 6.015 -9.926 -4.302 1.00 97.22 52 A 1 ATOM 431 C CB . TYR A 0 52 . 3.544 -10.262 -3.810 1.00 97.22 52 A 1 ATOM 432 O O . TYR A 0 52 . 5.827 -10.012 -5.515 1.00 97.22 52 A 1 ATOM 433 C CG . TYR A 0 52 . 2.577 -11.121 -3.041 1.00 97.22 52 A 1 ATOM 434 C CD1 . TYR A 0 52 . 2.403 -12.470 -3.392 1.00 97.22 52 A 1 ATOM 435 C CD2 . TYR A 0 52 . 1.896 -10.584 -1.945 1.00 97.22 52 A 1 ATOM 436 C CE1 . TYR A 0 52 . 1.548 -13.281 -2.631 1.00 97.22 52 A 1 ATOM 437 C CE2 . TYR A 0 52 . 1.052 -11.390 -1.177 1.00 97.22 52 A 1 ATOM 438 O OH . TYR A 0 52 . 0.062 -13.556 -0.789 1.00 97.22 52 A 1 ATOM 439 C CZ . TYR A 0 52 . 0.864 -12.745 -1.522 1.00 97.22 52 A 1 ATOM 440 N N . ARG A 0 53 . 7.146 -9.410 -3.803 1.00 96.82 53 A 1 ATOM 441 C CA . ARG A 0 53 . 8.270 -8.903 -4.609 1.00 96.82 53 A 1 ATOM 442 C C . ARG A 0 53 . 7.914 -7.703 -5.501 1.00 96.82 53 A 1 ATOM 443 C CB . ARG A 0 53 . 8.942 -10.046 -5.401 1.00 96.82 53 A 1 ATOM 444 O O . ARG A 0 53 . 8.658 -7.413 -6.438 1.00 96.82 53 A 1 ATOM 445 C CG . ARG A 0 53 . 9.325 -11.265 -4.549 1.00 96.82 53 A 1 ATOM 446 C CD . ARG A 0 53 . 9.949 -12.342 -5.441 1.00 96.82 53 A 1 ATOM 447 N NE . ARG A 0 53 . 10.378 -13.515 -4.656 1.00 96.82 53 A 1 ATOM 448 N NH1 . ARG A 0 53 . 11.052 -14.828 -6.418 1.00 96.82 53 A 1 ATOM 449 N NH2 . ARG A 0 53 . 11.252 -15.595 -4.334 1.00 96.82 53 A 1 ATOM 450 C CZ . ARG A 0 53 . 10.889 -14.635 -5.138 1.00 96.82 53 A 1 ATOM 451 N N . ILE A 0 54 . 6.835 -6.983 -5.186 1.00 97.12 54 A 1 ATOM 452 C CA . ILE A 0 54 . 6.502 -5.678 -5.768 1.00 97.12 54 A 1 ATOM 453 C C . ILE A 0 54 . 7.012 -4.604 -4.803 1.00 97.12 54 A 1 ATOM 454 C CB . ILE A 0 54 . 4.991 -5.556 -6.081 1.00 97.12 54 A 1 ATOM 455 O O . ILE A 0 54 . 6.359 -4.259 -3.822 1.00 97.12 54 A 1 ATOM 456 C CG1 . ILE A 0 54 . 4.520 -6.687 -7.027 1.00 97.12 54 A 1 ATOM 457 C CG2 . ILE A 0 54 . 4.705 -4.174 -6.704 1.00 97.12 54 A 1 ATOM 458 C CD1 . ILE A 0 54 . 3.005 -6.708 -7.276 1.00 97.12 54 A 1 ATOM 459 N N . SER A 0 55 . 8.219 -4.103 -5.056 1.00 96.48 55 A 1 ATOM 460 C CA . SER A 0 55 . 8.888 -3.101 -4.218 1.00 96.48 55 A 1 ATOM 461 C C . SER A 0 55 . 9.269 -1.852 -5.020 1.00 96.48 55 A 1 ATOM 462 C CB . SER A 0 55 . 10.119 -3.716 -3.540 1.00 96.48 55 A 1 ATOM 463 O O . SER A 0 55 . 9.500 -1.956 -6.230 1.00 96.48 55 A 1 ATOM 464 O OG . SER A 0 55 . 11.092 -4.119 -4.489 1.00 96.48 55 A 1 ATOM 465 N N . PRO A 0 56 . 9.399 -0.682 -4.373 1.00 96.65 56 A 1 ATOM 466 C CA . PRO A 0 56 . 9.930 0.506 -5.031 1.00 96.65 56 A 1 ATOM 467 C C . PRO A 0 56 . 11.311 0.234 -5.656 1.00 96.65 56 A 1 ATOM 468 C CB . PRO A 0 56 . 9.981 1.586 -3.950 1.00 96.65 56 A 1 ATOM 469 O O . PRO A 0 56 . 12.188 -0.343 -5.008 1.00 96.65 56 A 1 ATOM 470 C CG . PRO A 0 56 . 8.983 1.126 -2.896 1.00 96.65 56 A 1 ATOM 471 C CD . PRO A 0 56 . 9.035 -0.393 -2.993 1.00 96.65 56 A 1 ATOM 472 N N . HIS A 0 57 . 11.496 0.589 -6.928 1.00 94.15 57 A 1 ATOM 473 C CA . HIS A 0 57 . 12.703 0.327 -7.712 1.00 94.15 57 A 1 ATOM 474 C C . HIS A 0 57 . 12.798 1.271 -8.926 1.00 94.15 57 A 1 ATOM 475 C CB . HIS A 0 57 . 12.669 -1.140 -8.176 1.00 94.15 57 A 1 ATOM 476 O O . HIS A 0 57 . 11.828 1.460 -9.655 1.00 94.15 57 A 1 ATOM 477 C CG . HIS A 0 57 . 13.965 -1.644 -8.760 1.00 94.15 57 A 1 ATOM 478 C CD2 . HIS A 0 57 . 14.676 -2.734 -8.339 1.00 94.15 57 A 1 ATOM 479 N ND1 . HIS A 0 57 . 14.668 -1.088 -9.800 1.00 94.15 57 A 1 ATOM 480 C CE1 . HIS A 0 57 . 15.771 -1.824 -10.010 1.00 94.15 57 A 1 ATOM 481 N NE2 . HIS A 0 57 . 15.800 -2.862 -9.159 1.00 94.15 57 A 1 ATOM 482 N N . ASP A 0 58 . 13.995 1.789 -9.219 1.00 85.78 58 A 1 ATOM 483 C CA . ASP A 0 58 . 14.182 2.853 -10.224 1.00 85.78 58 A 1 ATOM 484 C C . ASP A 0 58 . 13.927 2.438 -11.680 1.00 85.78 58 A 1 ATOM 485 C CB . ASP A 0 58 . 15.605 3.410 -10.103 1.00 85.78 58 A 1 ATOM 486 O O . ASP A 0 58 . 13.440 3.236 -12.481 1.00 85.78 58 A 1 ATOM 487 C CG . ASP A 0 58 . 15.851 4.060 -8.745 1.00 85.78 58 A 1 ATOM 488 O OD1 . ASP A 0 58 . 14.854 4.551 -8.167 1.00 85.78 58 A 1 ATOM 489 O OD2 . ASP A 0 58 . 17.016 3.995 -8.313 1.00 85.78 58 A 1 ATOM 490 N N . SER A 0 59 . 14.266 1.198 -12.044 1.00 86.65 59 A 1 ATOM 491 C CA . SER A 0 59 . 14.168 0.696 -13.421 1.00 86.65 59 A 1 ATOM 492 C C . SER A 0 59 . 13.262 -0.524 -13.612 1.00 86.65 59 A 1 ATOM 493 C CB . SER A 0 59 . 15.577 0.374 -13.920 1.00 86.65 59 A 1 ATOM 494 O O . SER A 0 59 . 12.916 -0.840 -14.751 1.00 86.65 59 A 1 ATOM 495 O OG . SER A 0 59 . 16.191 -0.569 -13.058 1.00 86.65 59 A 1 ATOM 496 N N . ARG A 0 60 . 12.856 -1.220 -12.541 1.00 93.40 60 A 1 ATOM 497 C CA . ARG A 0 60 . 12.060 -2.448 -12.664 1.00 93.40 60 A 1 ATOM 498 C C . ARG A 0 60 . 10.643 -2.132 -13.139 1.00 93.40 60 A 1 ATOM 499 C CB . ARG A 0 60 . 12.072 -3.246 -11.352 1.00 93.40 60 A 1 ATOM 500 O O . ARG A 0 60 . 10.018 -1.179 -12.672 1.00 93.40 60 A 1 ATOM 501 C CG . ARG A 0 60 . 11.428 -4.634 -11.517 1.00 93.40 60 A 1 ATOM 502 C CD . ARG A 0 60 . 11.460 -5.441 -10.221 1.00 93.40 60 A 1 ATOM 503 N NE . ARG A 0 60 . 12.818 -5.848 -9.820 1.00 93.40 60 A 1 ATOM 504 N NH1 . ARG A 0 60 . 12.219 -6.725 -7.783 1.00 93.40 60 A 1 ATOM 505 N NH2 . ARG A 0 60 . 14.365 -6.748 -8.423 1.00 93.40 60 A 1 ATOM 506 C CZ . ARG A 0 60 . 13.124 -6.443 -8.683 1.00 93.40 60 A 1 ATOM 507 N N . GLN A 0 61 . 10.152 -2.967 -14.049 1.00 94.89 61 A 1 ATOM 508 C CA . GLN A 0 61 . 8.759 -2.980 -14.474 1.00 94.89 61 A 1 ATOM 509 C C . GLN A 0 61 . 8.013 -4.147 -13.831 1.00 94.89 61 A 1 ATOM 510 C CB . GLN A 0 61 . 8.661 -3.037 -16.001 1.00 94.89 61 A 1 ATOM 511 O O . GLN A 0 61 . 8.570 -5.234 -13.670 1.00 94.89 61 A 1 ATOM 512 C CG . GLN A 0 61 . 9.167 -1.742 -16.647 1.00 94.89 61 A 1 ATOM 513 C CD . GLN A 0 61 . 8.935 -1.724 -18.152 1.00 94.89 61 A 1 ATOM 514 N NE2 . GLN A 0 61 . 8.610 -0.578 -18.710 1.00 94.89 61 A 1 ATOM 515 O OE1 . GLN A 0 61 . 9.024 -2.725 -18.845 1.00 94.89 61 A 1 ATOM 516 N N . TYR A 0 62 . 6.753 -3.911 -13.498 1.00 97.16 62 A 1 ATOM 517 C CA . TYR A 0 62 . 5.827 -4.882 -12.936 1.00 97.16 62 A 1 ATOM 518 C C . TYR A 0 62 . 4.629 -5.039 -13.864 1.00 97.16 62 A 1 ATOM 519 C CB . TYR A 0 62 . 5.377 -4.402 -11.553 1.00 97.16 62 A 1 ATOM 520 O O . TYR A 0 62 . 4.158 -4.053 -14.430 1.00 97.16 62 A 1 ATOM 521 C CG . TYR A 0 62 . 6.509 -4.292 -10.554 1.00 97.16 62 A 1 ATOM 522 C CD1 . TYR A 0 62 . 7.034 -5.463 -9.982 1.00 97.16 62 A 1 ATOM 523 C CD2 . TYR A 0 62 . 7.050 -3.034 -10.216 1.00 97.16 62 A 1 ATOM 524 C CE1 . TYR A 0 62 . 8.089 -5.381 -9.061 1.00 97.16 62 A 1 ATOM 525 C CE2 . TYR A 0 62 . 8.096 -2.948 -9.276 1.00 97.16 62 A 1 ATOM 526 O OH . TYR A 0 62 . 9.579 -4.072 -7.745 1.00 97.16 62 A 1 ATOM 527 C CZ . TYR A 0 62 . 8.600 -4.125 -8.684 1.00 97.16 62 A 1 ATOM 528 N N . ASP A 0 63 . 4.132 -6.266 -14.004 1.00 97.23 63 A 1 ATOM 529 C CA . ASP A 0 63 . 2.900 -6.535 -14.740 1.00 97.23 63 A 1 ATOM 530 C C . ASP A 0 63 . 1.682 -6.127 -13.900 1.00 97.23 63 A 1 ATOM 531 C CB . ASP A 0 63 . 2.830 -8.013 -15.148 1.00 97.23 63 A 1 ATOM 532 O O . ASP A 0 63 . 1.541 -6.545 -12.747 1.00 97.23 63 A 1 ATOM 533 C CG . ASP A 0 63 . 3.957 -8.385 -16.117 1.00 97.23 63 A 1 ATOM 534 O OD1 . ASP A 0 63 . 4.010 -7.799 -17.222 1.00 97.23 63 A 1 ATOM 535 O OD2 . ASP A 0 63 . 4.806 -9.215 -15.730 1.00 97.23 63 A 1 ATOM 536 N N . THR A 0 64 . 0.768 -5.353 -14.486 1.00 97.34 64 A 1 ATOM 537 C CA . THR A 0 64 . -0.481 -4.932 -13.823 1.00 97.34 64 A 1 ATOM 538 C C . THR A 0 64 . -1.318 -6.129 -13.392 1.00 97.34 64 A 1 ATOM 539 C CB . THR A 0 64 . -1.280 -3.981 -14.721 1.00 97.34 64 A 1 ATOM 540 O O . THR A 0 64 . -1.864 -6.118 -12.294 1.00 97.34 64 A 1 ATOM 541 C CG2 . THR A 0 64 . -2.617 -3.539 -14.131 1.00 97.34 64 A 1 ATOM 542 O OG1 . THR A 0 64 . -0.508 -2.819 -14.851 1.00 97.34 64 A 1 ATOM 543 N N . ILE A 0 65 . -1.337 -7.203 -14.187 1.00 97.11 65 A 1 ATOM 544 C CA . ILE A 0 65 . -2.019 -8.457 -13.831 1.00 97.11 65 A 1 ATOM 545 C C . ILE A 0 65 . -1.439 -9.048 -12.537 1.00 97.11 65 A 1 ATOM 546 C CB . ILE A 0 65 . -1.947 -9.463 -15.004 1.00 97.11 65 A 1 ATOM 547 O O . ILE A 0 65 . -2.194 -9.483 -11.675 1.00 97.11 65 A 1 ATOM 548 C CG1 . ILE A 0 65 . -2.727 -8.912 -16.223 1.00 97.11 65 A 1 ATOM 549 C CG2 . ILE A 0 65 . -2.499 -10.840 -14.588 1.00 97.11 65 A 1 ATOM 550 C CD1 . ILE A 0 65 . -2.542 -9.731 -17.507 1.00 97.11 65 A 1 ATOM 551 N N . ASN A 0 66 . -0.114 -9.011 -12.352 1.00 97.30 66 A 1 ATOM 552 C CA . ASN A 0 66 . 0.504 -9.506 -11.123 1.00 97.30 66 A 1 ATOM 553 C C . ASN A 0 66 . 0.099 -8.653 -9.908 1.00 97.30 66 A 1 ATOM 554 C CB . ASN A 0 66 . 2.030 -9.572 -11.308 1.00 97.30 66 A 1 ATOM 555 O O . ASN A 0 66 . -0.242 -9.204 -8.867 1.00 97.30 66 A 1 ATOM 556 C CG . ASN A 0 66 . 2.720 -10.268 -10.147 1.00 97.30 66 A 1 ATOM 557 N ND2 . ASN A 0 66 . 3.938 -9.889 -9.838 1.00 97.30 66 A 1 ATOM 558 O OD1 . ASN A 0 66 . 2.202 -11.170 -9.516 1.00 97.30 66 A 1 ATOM 559 N N . LEU A 0 67 . 0.064 -7.320 -10.046 1.00 97.87 67 A 1 ATOM 560 C CA . LEU A 0 67 . -0.449 -6.437 -8.990 1.00 97.87 67 A 1 ATOM 561 C C . LEU A 0 67 . -1.911 -6.763 -8.648 1.00 97.87 67 A 1 ATOM 562 C CB . LEU A 0 67 . -0.270 -4.962 -9.404 1.00 97.87 67 A 1 ATOM 563 O O . LEU A 0 67 . -2.230 -6.911 -7.473 1.00 97.87 67 A 1 ATOM 564 C CG . LEU A 0 67 . -0.846 -3.944 -8.396 1.00 97.87 67 A 1 ATOM 565 C CD1 . LEU A 0 67 . -0.155 -4.005 -7.038 1.00 97.87 67 A 1 ATOM 566 C CD2 . LEU A 0 67 . -0.708 -2.522 -8.939 1.00 97.87 67 A 1 ATOM 567 N N . MET A 0 68 . -2.784 -6.912 -9.647 1.00 97.41 68 A 1 ATOM 568 C CA . MET A 0 68 . -4.200 -7.232 -9.420 1.00 97.41 68 A 1 ATOM 569 C C . MET A 0 68 . -4.374 -8.581 -8.711 1.00 97.41 68 A 1 ATOM 570 C CB . MET A 0 68 . -4.985 -7.216 -10.741 1.00 97.41 68 A 1 ATOM 571 O O . MET A 0 68 . -5.103 -8.650 -7.724 1.00 97.41 68 A 1 ATOM 572 C CG . MET A 0 68 . -5.079 -5.839 -11.416 1.00 97.41 68 A 1 ATOM 573 S SD . MET A 0 68 . -5.808 -4.500 -10.431 1.00 97.41 68 A 1 ATOM 574 C CE . MET A 0 68 . -4.312 -3.651 -9.881 1.00 97.41 68 A 1 ATOM 575 N N . ASN A 0 69 . -3.635 -9.613 -9.132 1.00 97.46 69 A 1 ATOM 576 C CA . ASN A 0 69 . -3.657 -10.934 -8.497 1.00 97.46 69 A 1 ATOM 577 C C . ASN A 0 69 . -3.199 -10.884 -7.030 1.00 97.46 69 A 1 ATOM 578 C CB . ASN A 0 69 . -2.743 -11.889 -9.286 1.00 97.46 69 A 1 ATOM 579 O O . ASN A 0 69 . -3.721 -11.616 -6.193 1.00 97.46 69 A 1 ATOM 580 C CG . ASN A 0 69 . -3.258 -12.252 -10.667 1.00 97.46 69 A 1 ATOM 581 N ND2 . ASN A 0 69 . -2.446 -12.909 -11.463 1.00 97.46 69 A 1 ATOM 582 O OD1 . ASN A 0 69 . -4.373 -11.987 -11.061 1.00 97.46 69 A 1 ATOM 583 N N . VAL A 0 70 . -2.222 -10.030 -6.699 1.00 97.37 70 A 1 ATOM 584 C CA . VAL A 0 70 . -1.781 -9.823 -5.310 1.00 97.37 70 A 1 ATOM 585 C C . VAL A 0 70 . -2.891 -9.197 -4.467 1.00 97.37 70 A 1 ATOM 586 C CB . VAL A 0 70 . -0.490 -8.982 -5.255 1.00 97.37 70 A 1 ATOM 587 O O . VAL A 0 70 . -3.128 -9.659 -3.352 1.00 97.37 70 A 1 ATOM 588 C CG1 . VAL A 0 70 . -0.153 -8.503 -3.835 1.00 97.37 70 A 1 ATOM 589 C CG2 . VAL A 0 70 . 0.696 -9.814 -5.756 1.00 97.37 70 A 1 ATOM 590 N N . LEU A 0 71 . -3.584 -8.179 -4.991 1.00 97.11 71 A 1 ATOM 591 C CA . LEU A 0 71 . -4.700 -7.533 -4.289 1.00 97.11 71 A 1 ATOM 592 C C . LEU A 0 71 . -5.853 -8.519 -4.062 1.00 97.11 71 A 1 ATOM 593 C CB . LEU A 0 71 . -5.171 -6.284 -5.063 1.00 97.11 71 A 1 ATOM 594 O O . LEU A 0 71 . -6.338 -8.634 -2.940 1.00 97.11 71 A 1 ATOM 595 C CG . LEU A 0 71 . -4.101 -5.191 -5.238 1.00 97.11 71 A 1 ATOM 596 C CD1 . LEU A 0 71 . -4.616 -4.052 -6.118 1.00 97.11 71 A 1 ATOM 597 C CD2 . LEU A 0 71 . -3.635 -4.589 -3.915 1.00 97.11 71 A 1 ATOM 598 N N . GLU A 0 72 . -6.219 -9.288 -5.088 1.00 97.39 72 A 1 ATOM 599 C CA . GLU A 0 72 . -7.261 -10.314 -4.989 1.00 97.39 72 A 1 ATOM 600 C C . GLU A 0 72 . -6.904 -11.409 -3.985 1.00 97.39 72 A 1 ATOM 601 C CB . GLU A 0 72 . -7.544 -10.868 -6.389 1.00 97.39 72 A 1 ATOM 602 O O . GLU A 0 72 . -7.729 -11.786 -3.155 1.00 97.39 72 A 1 ATOM 603 C CG . GLU A 0 72 . -8.770 -11.793 -6.405 1.00 97.39 72 A 1 ATOM 604 C CD . GLU A 0 72 . -9.158 -12.243 -7.822 1.00 97.39 72 A 1 ATOM 605 O OE1 . GLU A 0 72 . -10.235 -12.864 -7.949 1.00 97.39 72 A 1 ATOM 606 O OE2 . GLU A 0 72 . -8.386 -11.966 -8.768 1.00 97.39 72 A 1 ATOM 607 N N . ARG A 0 73 . -5.651 -11.868 -3.979 1.00 97.29 73 A 1 ATOM 608 C CA . ARG A 0 73 . -5.188 -12.892 -3.040 1.00 97.29 73 A 1 ATOM 609 C C . ARG A 0 73 . -5.188 -12.428 -1.584 1.00 97.29 73 A 1 ATOM 610 C CB . ARG A 0 73 . -3.797 -13.344 -3.484 1.00 97.29 73 A 1 ATOM 611 O O . ARG A 0 73 . -5.478 -13.230 -0.702 1.00 97.29 73 A 1 ATOM 612 C CG . ARG A 0 73 . -3.276 -14.505 -2.635 1.00 97.29 73 A 1 ATOM 613 C CD . ARG A 0 73 . -1.933 -14.979 -3.190 1.00 97.29 73 A 1 ATOM 614 N NE . ARG A 0 73 . -1.920 -16.433 -3.416 1.00 97.29 73 A 1 ATOM 615 N NH1 . ARG A 0 73 . 0.340 -16.729 -3.246 1.00 97.29 73 A 1 ATOM 616 N NH2 . ARG A 0 73 . -0.961 -18.455 -3.805 1.00 97.29 73 A 1 ATOM 617 C CZ . ARG A 0 73 . -0.851 -17.197 -3.488 1.00 97.29 73 A 1 ATOM 618 N N . GLU A 0 74 . -4.806 -11.182 -1.320 1.00 95.95 74 A 1 ATOM 619 C CA . GLU A 0 74 . -4.649 -10.673 0.051 1.00 95.95 74 A 1 ATOM 620 C C . GLU A 0 74 . -5.946 -10.106 0.631 1.00 95.95 74 A 1 ATOM 621 C CB . GLU A 0 74 . -3.512 -9.643 0.089 1.00 95.95 74 A 1 ATOM 622 O O . GLU A 0 74 . -6.150 -10.186 1.842 1.00 95.95 74 A 1 ATOM 623 C CG . GLU A 0 74 . -2.148 -10.327 -0.112 1.00 95.95 74 A 1 ATOM 624 C CD . GLU A 0 74 . -1.592 -11.037 1.143 1.00 95.95 74 A 1 ATOM 625 O OE1 . GLU A 0 74 . -0.962 -12.117 1.007 1.00 95.95 74 A 1 ATOM 626 O OE2 . GLU A 0 74 . -1.604 -10.487 2.259 1.00 95.95 74 A 1 ATOM 627 N N . PHE A 0 75 . -6.837 -9.572 -0.209 1.00 94.59 75 A 1 ATOM 628 C CA . PHE A 0 75 . -8.095 -8.967 0.239 1.00 94.59 75 A 1 ATOM 629 C C . PHE A 0 75 . -9.340 -9.792 -0.108 1.00 94.59 75 A 1 ATOM 630 C CB . PHE A 0 75 . -8.172 -7.520 -0.274 1.00 94.59 75 A 1 ATOM 631 O O . PHE A 0 75 . -10.416 -9.485 0.397 1.00 94.59 75 A 1 ATOM 632 C CG . PHE A 0 75 . -6.967 -6.675 0.114 1.00 94.59 75 A 1 ATOM 633 C CD1 . PHE A 0 75 . -6.607 -6.544 1.469 1.00 94.59 75 A 1 ATOM 634 C CD2 . PHE A 0 75 . -6.170 -6.069 -0.875 1.00 94.59 75 A 1 ATOM 635 C CE1 . PHE A 0 75 . -5.448 -5.837 1.831 1.00 94.59 75 A 1 ATOM 636 C CE2 . PHE A 0 75 . -5.021 -5.344 -0.509 1.00 94.59 75 A 1 ATOM 637 C CZ . PHE A 0 75 . -4.657 -5.230 0.843 1.00 94.59 75 A 1 ATOM 638 N N . GLY A 0 76 . -9.210 -10.841 -0.927 1.00 96.88 76 A 1 ATOM 639 C CA . GLY A 0 76 . -10.314 -11.698 -1.378 1.00 96.88 76 A 1 ATOM 640 C C . GLY A 0 76 . -11.159 -11.102 -2.509 1.00 96.88 76 A 1 ATOM 641 O O . GLY A 0 76 . -12.125 -11.728 -2.935 1.00 96.88 76 A 1 ATOM 642 N N . TYR A 0 77 . -10.811 -9.903 -2.983 1.00 97.63 77 A 1 ATOM 643 C CA . TYR A 0 77 . -11.549 -9.145 -3.994 1.00 97.63 77 A 1 ATOM 644 C C . TYR A 0 77 . -10.594 -8.369 -4.890 1.00 97.63 77 A 1 ATOM 645 C CB . TYR A 0 77 . -12.496 -8.147 -3.321 1.00 97.63 77 A 1 ATOM 646 O O . TYR A 0 77 . -9.485 -8.023 -4.473 1.00 97.63 77 A 1 ATOM 647 C CG . TYR A 0 77 . -13.562 -8.782 -2.460 1.00 97.63 77 A 1 ATOM 648 C CD1 . TYR A 0 77 . -14.753 -9.255 -3.038 1.00 97.63 77 A 1 ATOM 649 C CD2 . TYR A 0 77 . -13.341 -8.931 -1.082 1.00 97.63 77 A 1 ATOM 650 C CE1 . TYR A 0 77 . -15.738 -9.849 -2.226 1.00 97.63 77 A 1 ATOM 651 C CE2 . TYR A 0 77 . -14.313 -9.533 -0.267 1.00 97.63 77 A 1 ATOM 652 O OH . TYR A 0 77 . -16.480 -10.537 -0.055 1.00 97.63 77 A 1 ATOM 653 C CZ . TYR A 0 77 . -15.522 -9.979 -0.839 1.00 97.63 77 A 1 ATOM 654 N N . ASN A 0 78 . -11.035 -8.039 -6.103 1.00 96.87 78 A 1 ATOM 655 C CA . ASN A 0 78 . -10.216 -7.243 -7.004 1.00 96.87 78 A 1 ATOM 656 C C . ASN A 0 78 . -9.886 -5.858 -6.405 1.00 96.87 78 A 1 ATOM 657 C CB . ASN A 0 78 . -10.831 -7.203 -8.420 1.00 96.87 78 A 1 ATOM 658 O O . ASN A 0 78 . -10.624 -5.282 -5.601 1.00 96.87 78 A 1 ATOM 659 C CG . ASN A 0 78 . -12.022 -6.275 -8.592 1.00 96.87 78 A 1 ATOM 660 N ND2 . ASN A 0 78 . -12.580 -6.175 -9.773 1.00 96.87 78 A 1 ATOM 661 O OD1 . ASN A 0 78 . -12.468 -5.592 -7.700 1.00 96.87 78 A 1 ATOM 662 N N . GLY A 0 79 . -8.741 -5.324 -6.816 1.00 96.83 79 A 1 ATOM 663 C CA . GLY A 0 79 . -8.366 -3.941 -6.556 1.00 96.83 79 A 1 ATOM 664 C C . GLY A 0 79 . -8.383 -3.107 -7.830 1.00 96.83 79 A 1 ATOM 665 O O . GLY A 0 79 . -8.796 -3.557 -8.899 1.00 96.83 79 A 1 ATOM 666 N N . SER A 0 80 . -7.904 -1.875 -7.720 1.00 97.36 80 A 1 ATOM 667 C CA . SER A 0 80 . -7.750 -0.965 -8.854 1.00 97.36 80 A 1 ATOM 668 C C . SER A 0 80 . -6.431 -0.206 -8.729 1.00 97.36 80 A 1 ATOM 669 C CB . SER A 0 80 . -8.992 -0.074 -8.914 1.00 97.36 80 A 1 ATOM 670 O O . SER A 0 80 . -5.977 0.067 -7.620 1.00 97.36 80 A 1 ATOM 671 O OG . SER A 0 80 . -8.923 0.895 -9.930 1.00 97.36 80 A 1 ATOM 672 N N . ALA A 0 81 . -5.772 0.090 -9.848 1.00 97.78 81 A 1 ATOM 673 C CA . ALA A 0 81 . -4.476 0.762 -9.853 1.00 97.78 81 A 1 ATOM 674 C C . ALA A 0 81 . -4.413 1.838 -10.934 1.00 97.78 81 A 1 ATOM 675 C CB . ALA A 0 81 . -3.359 -0.270 -10.024 1.00 97.78 81 A 1 ATOM 676 O O . ALA A 0 81 . -4.675 1.559 -12.108 1.00 97.78 81 A 1 ATOM 677 N N . ASN A 0 82 . -4.028 3.049 -10.535 1.00 97.24 82 A 1 ATOM 678 C CA . ASN A 0 82 . -3.814 4.162 -11.448 1.00 97.24 82 A 1 ATOM 679 C C . ASN A 0 82 . -2.328 4.434 -11.629 1.00 97.24 82 A 1 ATOM 680 C CB . ASN A 0 82 . -4.564 5.421 -10.996 1.00 97.24 82 A 1 ATOM 681 O O . ASN A 0 82 . -1.540 4.414 -10.679 1.00 97.24 82 A 1 ATOM 682 C CG . ASN A 0 82 . -6.062 5.229 -11.006 1.00 97.24 82 A 1 ATOM 683 N ND2 . ASN A 0 82 . -6.749 5.641 -9.966 1.00 97.24 82 A 1 ATOM 684 O OD1 . ASN A 0 82 . -6.638 4.707 -11.950 1.00 97.24 82 A 1 ATOM 685 N N . CYS A 0 83 . -1.965 4.721 -12.870 1.00 96.75 83 A 1 ATOM 686 C CA . CYS A 0 83 . -0.625 5.064 -13.273 1.00 96.75 83 A 1 ATOM 687 C C . CYS A 0 83 . -0.607 6.412 -13.994 1.00 96.75 83 A 1 ATOM 688 C CB . CYS A 0 83 . -0.045 3.968 -14.170 1.00 96.75 83 A 1 ATOM 689 O O . CYS A 0 83 . -1.480 6.732 -14.804 1.00 96.75 83 A 1 ATOM 690 S SG . CYS A 0 83 . 0.352 2.374 -13.392 1.00 96.75 83 A 1 ATOM 691 N N . ILE A 0 84 . 0.469 7.159 -13.776 1.00 94.53 84 A 1 ATOM 692 C CA . ILE A 0 84 . 0.760 8.403 -14.484 1.00 94.53 84 A 1 ATOM 693 C C . ILE A 0 84 . 1.847 8.186 -15.521 1.00 94.53 84 A 1 ATOM 694 C CB . ILE A 0 84 . 1.109 9.550 -13.521 1.00 94.53 84 A 1 ATOM 695 O O . ILE A 0 84 . 2.847 7.506 -15.288 1.00 94.53 84 A 1 ATOM 696 C CG1 . ILE A 0 84 . 2.273 9.198 -12.567 1.00 94.53 84 A 1 ATOM 697 C CG2 . ILE A 0 84 . -0.177 9.939 -12.794 1.00 94.53 84 A 1 ATOM 698 C CD1 . ILE A 0 84 . 2.731 10.371 -11.695 1.00 94.53 84 A 1 ATOM 699 N N . ARG A 0 85 . 1.679 8.795 -16.693 1.00 92.61 85 A 1 ATOM 700 C CA . ARG A 0 85 . 2.721 8.804 -17.721 1.00 92.61 85 A 1 ATOM 701 C C . ARG A 0 85 . 3.854 9.729 -17.284 1.00 92.61 85 A 1 ATOM 702 C CB . ARG A 0 85 . 2.105 9.235 -19.054 1.00 92.61 85 A 1 ATOM 703 O O . ARG A 0 85 . 3.604 10.899 -17.002 1.00 92.61 85 A 1 ATOM 704 C CG . ARG A 0 85 . 3.110 9.084 -20.204 1.00 92.61 85 A 1 ATOM 705 C CD . ARG A 0 85 . 2.476 9.469 -21.544 1.00 92.61 85 A 1 ATOM 706 N NE . ARG A 0 85 . 2.166 10.912 -21.616 1.00 92.61 85 A 1 ATOM 707 N NH1 . ARG A 0 85 . 1.405 10.948 -23.782 1.00 92.61 85 A 1 ATOM 708 N NH2 . ARG A 0 85 . 1.462 12.840 -22.608 1.00 92.61 85 A 1 ATOM 709 C CZ . ARG A 0 85 . 1.684 11.558 -22.663 1.00 92.61 85 A 1 ATOM 710 N N . LYS A 0 86 . 5.102 9.255 -17.307 1.00 84.13 86 A 1 ATOM 711 C CA . LYS A 0 86 . 6.260 10.103 -17.000 1.00 84.13 86 A 1 ATOM 712 C C . LYS A 0 86 . 6.518 11.096 -18.146 1.00 84.13 86 A 1 ATOM 713 C CB . LYS A 0 86 . 7.482 9.245 -16.647 1.00 84.13 86 A 1 ATOM 714 O O . LYS A 0 86 . 6.735 10.664 -19.284 1.00 84.13 86 A 1 ATOM 715 C CG . LYS A 0 86 . 8.736 10.103 -16.374 1.00 84.13 86 A 1 ATOM 716 C CD . LYS A 0 86 . 9.611 9.521 -15.259 1.00 84.13 86 A 1 ATOM 717 C CE . LYS A 0 86 . 11.071 9.982 -15.339 1.00 84.13 86 A 1 ATOM 718 N NZ . LYS A 0 86 . 11.935 9.230 -14.388 1.00 84.13 86 A 1 ATOM 719 N N . PRO A 0 87 . 6.542 12.416 -17.877 1.00 80.52 87 A 1 ATOM 720 C CA . PRO A 0 87 . 6.944 13.401 -18.875 1.00 80.52 87 A 1 ATOM 721 C C . PRO A 0 87 . 8.343 13.087 -19.427 1.00 80.52 87 A 1 ATOM 722 C CB . PRO A 0 87 . 6.884 14.760 -18.169 1.00 80.52 87 A 1 ATOM 723 O O . PRO A 0 87 . 9.239 12.685 -18.686 1.00 80.52 87 A 1 ATOM 724 C CG . PRO A 0 87 . 5.886 14.533 -17.034 1.00 80.52 87 A 1 ATOM 725 C CD . PRO A 0 87 . 6.155 13.084 -16.639 1.00 80.52 87 A 1 ATOM 726 N N . GLY A 0 88 . 8.526 13.228 -20.741 1.00 80.08 88 A 1 ATOM 727 C CA . GLY A 0 88 . 9.824 13.046 -21.405 1.00 80.08 88 A 1 ATOM 728 C C . GLY A 0 88 . 10.282 11.598 -21.633 1.00 80.08 88 A 1 ATOM 729 O O . GLY A 0 88 . 11.306 11.396 -22.277 1.00 80.08 88 A 1 ATOM 730 N N . ARG A 0 89 . 9.549 10.576 -21.167 1.00 77.65 89 A 1 ATOM 731 C CA . ARG A 0 89 . 9.873 9.162 -21.444 1.00 77.65 89 A 1 ATOM 732 C C . ARG A 0 89 . 8.672 8.428 -22.031 1.00 77.65 89 A 1 ATOM 733 C CB . ARG A 0 89 . 10.423 8.471 -20.188 1.00 77.65 89 A 1 ATOM 734 O O . ARG A 0 89 . 7.770 7.999 -21.313 1.00 77.65 89 A 1 ATOM 735 C CG . ARG A 0 89 . 11.780 9.057 -19.760 1.00 77.65 89 A 1 ATOM 736 C CD . ARG A 0 89 . 12.423 8.145 -18.714 1.00 77.65 89 A 1 ATOM 737 N NE . ARG A 0 89 . 13.733 8.639 -18.250 1.00 77.65 89 A 1 ATOM 738 N NH1 . ARG A 0 89 . 14.247 6.838 -16.913 1.00 77.65 89 A 1 ATOM 739 N NH2 . ARG A 0 89 . 15.673 8.550 -17.054 1.00 77.65 89 A 1 ATOM 740 C CZ . ARG A 0 89 . 14.546 8.006 -17.418 1.00 77.65 89 A 1 ATOM 741 N N . ARG A 0 90 . 8.652 8.297 -23.361 1.00 76.50 90 A 1 ATOM 742 C CA . ARG A 0 90 . 7.553 7.648 -24.091 1.00 76.50 90 A 1 ATOM 743 C C . ARG A 0 90 . 7.374 6.205 -23.611 1.00 76.50 90 A 1 ATOM 744 C CB . ARG A 0 90 . 7.817 7.720 -25.606 1.00 76.50 90 A 1 ATOM 745 O O . ARG A 0 90 . 8.342 5.464 -23.508 1.00 76.50 90 A 1 ATOM 746 C CG . ARG A 0 90 . 6.560 7.406 -26.433 1.00 76.50 90 A 1 ATOM 747 C CD . ARG A 0 90 . 6.851 7.538 -27.934 1.00 76.50 90 A 1 ATOM 748 N NE . ARG A 0 90 . 5.615 7.500 -28.743 1.00 76.50 90 A 1 ATOM 749 N NH1 . ARG A 0 90 . 6.574 8.012 -30.771 1.00 76.50 90 A 1 ATOM 750 N NH2 . ARG A 0 90 . 4.367 7.752 -30.637 1.00 76.50 90 A 1 ATOM 751 C CZ . ARG A 0 90 . 5.526 7.754 -30.040 1.00 76.50 90 A 1 ATOM 752 N N . GLY A 0 91 . 6.130 5.825 -23.324 1.00 78.84 91 A 1 ATOM 753 C CA . GLY A 0 91 . 5.775 4.467 -22.899 1.00 78.84 91 A 1 ATOM 754 C C . GLY A 0 91 . 6.085 4.134 -21.438 1.00 78.84 91 A 1 ATOM 755 O O . GLY A 0 91 . 5.807 3.016 -21.020 1.00 78.84 91 A 1 ATOM 756 N N . MET A 0 92 . 6.623 5.072 -20.649 1.00 87.44 92 A 1 ATOM 757 C CA . MET A 0 92 . 6.946 4.822 -19.244 1.00 87.44 92 A 1 ATOM 758 C C . MET A 0 92 . 5.854 5.374 -18.323 1.00 87.44 92 A 1 ATOM 759 C CB . MET A 0 92 . 8.340 5.374 -18.932 1.00 87.44 92 A 1 ATOM 760 O O . MET A 0 92 . 5.559 6.572 -18.337 1.00 87.44 92 A 1 ATOM 761 C CG . MET A 0 92 . 9.022 4.548 -17.839 1.00 87.44 92 A 1 ATOM 762 S SD . MET A 0 92 . 10.735 5.049 -17.523 1.00 87.44 92 A 1 ATOM 763 C CE . MET A 0 92 . 10.348 6.463 -16.505 1.00 87.44 92 A 1 ATOM 764 N N . TYR A 0 93 . 5.265 4.491 -17.519 1.00 94.88 93 A 1 ATOM 765 C CA . TYR A 0 93 . 4.163 4.797 -16.609 1.00 94.88 93 A 1 ATOM 766 C C . TYR A 0 93 . 4.567 4.450 -15.183 1.00 94.88 93 A 1 ATOM 767 C CB . TYR A 0 93 . 2.904 4.032 -17.031 1.00 94.88 93 A 1 ATOM 768 O O . TYR A 0 93 . 5.088 3.365 -14.944 1.00 94.88 93 A 1 ATOM 769 C CG . TYR A 0 93 . 2.282 4.542 -18.314 1.00 94.88 93 A 1 ATOM 770 C CD1 . TYR A 0 93 . 1.151 5.380 -18.266 1.00 94.88 93 A 1 ATOM 771 C CD2 . TYR A 0 93 . 2.820 4.157 -19.558 1.00 94.88 93 A 1 ATOM 772 C CE1 . TYR A 0 93 . 0.553 5.826 -19.460 1.00 94.88 93 A 1 ATOM 773 C CE2 . TYR A 0 93 . 2.237 4.616 -20.752 1.00 94.88 93 A 1 ATOM 774 O OH . TYR A 0 93 . 0.535 5.884 -21.860 1.00 94.88 93 A 1 ATOM 775 C CZ . TYR A 0 93 . 1.102 5.448 -20.704 1.00 94.88 93 A 1 ATOM 776 N N . HIS A 0 94 . 4.356 5.369 -14.249 1.00 94.34 94 A 1 ATOM 777 C CA . HIS A 0 94 . 4.609 5.153 -12.830 1.00 94.34 94 A 1 ATOM 778 C C . HIS A 0 94 . 3.301 4.834 -12.115 1.00 94.34 94 A 1 ATOM 779 C CB . HIS A 0 94 . 5.256 6.394 -12.212 1.00 94.34 94 A 1 ATOM 780 O O . HIS A 0 94 . 2.310 5.520 -12.356 1.00 94.34 94 A 1 ATOM 781 C CG . HIS A 0 94 . 6.672 6.687 -12.637 1.00 94.34 94 A 1 ATOM 782 C CD2 . HIS A 0 94 . 7.452 6.041 -13.561 1.00 94.34 94 A 1 ATOM 783 N ND1 . HIS A 0 94 . 7.452 7.657 -12.061 1.00 94.34 94 A 1 ATOM 784 C CE1 . HIS A 0 94 . 8.681 7.568 -12.579 1.00 94.34 94 A 1 ATOM 785 N NE2 . HIS A 0 94 . 8.729 6.621 -13.527 1.00 94.34 94 A 1 ATOM 786 N N . LEU A 0 95 . 3.308 3.841 -11.227 1.00 96.15 95 A 1 ATOM 787 C CA . LEU A 0 95 . 2.209 3.606 -10.294 1.00 96.15 95 A 1 ATOM 788 C C . LEU A 0 95 . 2.040 4.836 -9.396 1.00 96.15 95 A 1 ATOM 789 C CB . LEU A 0 95 . 2.511 2.346 -9.468 1.00 96.15 95 A 1 ATOM 790 O O . LEU A 0 95 . 2.998 5.260 -8.751 1.00 96.15 95 A 1 ATOM 791 C CG . LEU A 0 95 . 1.383 1.909 -8.517 1.00 96.15 95 A 1 ATOM 792 C CD1 . LEU A 0 95 . 0.146 1.441 -9.285 1.00 96.15 95 A 1 ATOM 793 C CD2 . LEU A 0 95 . 1.873 0.744 -7.654 1.00 96.15 95 A 1 ATOM 794 N N . GLU A 0 96 . 0.836 5.396 -9.378 1.00 94.66 96 A 1 ATOM 795 C CA . GLU A 0 96 . 0.478 6.568 -8.572 1.00 94.66 96 A 1 ATOM 796 C C . GLU A 0 96 . -0.432 6.178 -7.408 1.00 94.66 96 A 1 ATOM 797 C CB . GLU A 0 96 . -0.202 7.606 -9.480 1.00 94.66 96 A 1 ATOM 798 O O . GLU A 0 96 . -0.242 6.637 -6.285 1.00 94.66 96 A 1 ATOM 799 C CG . GLU A 0 96 . -0.563 8.895 -8.725 1.00 94.66 96 A 1 ATOM 800 C CD . GLU A 0 96 . -1.158 9.959 -9.655 1.00 94.66 96 A 1 ATOM 801 O OE1 . GLU A 0 96 . -0.596 11.080 -9.695 1.00 94.66 96 A 1 ATOM 802 O OE2 . GLU A 0 96 . -2.148 9.641 -10.353 1.00 94.66 96 A 1 ATOM 803 N N . GLU A 0 97 . -1.402 5.302 -7.662 1.00 95.88 97 A 1 ATOM 804 C CA . GLU A 0 97 . -2.441 4.977 -6.696 1.00 95.88 97 A 1 ATOM 805 C C . GLU A 0 97 . -2.820 3.502 -6.788 1.00 95.88 97 A 1 ATOM 806 C CB . GLU A 0 97 . -3.658 5.870 -6.963 1.00 95.88 97 A 1 ATOM 807 O O . GLU A 0 97 . -2.942 2.939 -7.877 1.00 95.88 97 A 1 ATOM 808 C CG . GLU A 0 97 . -4.705 5.831 -5.845 1.00 95.88 97 A 1 ATOM 809 C CD . GLU A 0 97 . -5.987 6.582 -6.224 1.00 95.88 97 A 1 ATOM 810 O OE1 . GLU A 0 97 . -6.927 6.585 -5.406 1.00 95.88 97 A 1 ATOM 811 O OE2 . GLU A 0 97 . -6.173 6.994 -7.395 1.00 95.88 97 A 1 ATOM 812 N N . VAL A 0 98 . -3.066 2.894 -5.630 1.00 97.19 98 A 1 ATOM 813 C CA . VAL A 0 98 . -3.714 1.589 -5.510 1.00 97.19 98 A 1 ATOM 814 C C . VAL A 0 98 . -4.950 1.764 -4.643 1.00 97.19 98 A 1 ATOM 815 C CB . VAL A 0 98 . -2.764 0.540 -4.920 1.00 97.19 98 A 1 ATOM 816 O O . VAL A 0 98 . -4.880 2.342 -3.559 1.00 97.19 98 A 1 ATOM 817 C CG1 . VAL A 0 98 . -3.471 -0.809 -4.731 1.00 97.19 98 A 1 ATOM 818 C CG2 . VAL A 0 98 . -1.550 0.310 -5.825 1.00 97.19 98 A 1 ATOM 819 N N . ARG A 0 99 . -6.080 1.252 -5.118 1.00 96.87 99 A 1 ATOM 820 C CA . ARG A 0 99 . -7.382 1.329 -4.462 1.00 96.87 99 A 1 ATOM 821 C C . ARG A 0 99 . -7.839 -0.062 -4.049 1.00 96.87 99 A 1 ATOM 822 C CB . ARG A 0 99 . -8.406 1.987 -5.395 1.00 96.87 99 A 1 ATOM 823 O O . ARG A 0 99 . -7.792 -1.003 -4.842 1.00 96.87 99 A 1 ATOM 824 C CG . ARG A 0 99 . -8.035 3.419 -5.796 1.00 96.87 99 A 1 ATOM 825 C CD . ARG A 0 99 . -9.098 4.000 -6.734 1.00 96.87 99 A 1 ATOM 826 N NE . ARG A 0 99 . -8.754 5.383 -7.077 1.00 96.87 99 A 1 ATOM 827 N NH1 . ARG A 0 99 . -10.451 5.909 -8.516 1.00 96.87 99 A 1 ATOM 828 N NH2 . ARG A 0 99 . -8.788 7.366 -8.124 1.00 96.87 99 A 1 ATOM 829 C CZ . ARG A 0 99 . -9.342 6.215 -7.900 1.00 96.87 99 A 1 ATOM 830 N N . VAL A 0 100 . -8.322 -0.148 -2.816 1.00 96.49 100 A 1 ATOM 831 C CA . VAL A 0 100 . -9.041 -1.296 -2.256 1.00 96.49 100 A 1 ATOM 832 C C . VAL A 0 100 . -10.434 -0.799 -1.887 1.00 96.49 100 A 1 ATOM 833 C CB . VAL A 0 100 . -8.308 -1.871 -1.029 1.00 96.49 100 A 1 ATOM 834 O O . VAL A 0 100 . -10.556 0.262 -1.274 1.00 96.49 100 A 1 ATOM 835 C CG1 . VAL A 0 100 . -9.067 -3.064 -0.442 1.00 96.49 100 A 1 ATOM 836 C CG2 . VAL A 0 100 . -6.892 -2.340 -1.389 1.00 96.49 100 A 1 ATOM 837 N N . CYS A 0 101 . -11.476 -1.524 -2.287 1.00 97.14 101 A 1 ATOM 838 C CA . CYS A 0 101 . -12.852 -1.063 -2.141 1.00 97.14 101 A 1 ATOM 839 C C . CYS A 0 101 . -13.551 -1.725 -0.953 1.00 97.14 101 A 1 ATOM 840 C CB . CYS A 0 101 . -13.594 -1.221 -3.471 1.00 97.14 101 A 1 ATOM 841 O O . CYS A 0 101 . -13.327 -2.896 -0.648 1.00 97.14 101 A 1 ATOM 842 S SG . CYS A 0 101 . -12.859 -0.184 -4.770 1.00 97.14 101 A 1 ATOM 843 N N . LEU A 0 102 . -14.404 -0.947 -0.285 1.00 96.25 102 A 1 ATOM 844 C CA . LEU A 0 102 . -15.213 -1.379 0.849 1.00 96.25 102 A 1 ATOM 845 C C . LEU A 0 102 . -16.695 -1.170 0.547 1.00 96.25 102 A 1 ATOM 846 C CB . LEU A 0 102 . -14.829 -0.606 2.121 1.00 96.25 102 A 1 ATOM 847 O O . LEU A 0 102 . -17.065 -0.189 -0.102 1.00 96.25 102 A 1 ATOM 848 C CG . LEU A 0 102 . -13.375 -0.751 2.594 1.00 96.25 102 A 1 ATOM 849 C CD1 . LEU A 0 102 . -13.187 0.087 3.855 1.00 96.25 102 A 1 ATOM 850 C CD2 . LEU A 0 102 . -13.012 -2.190 2.944 1.00 96.25 102 A 1 ATOM 851 N N . ASN A 0 103 . -17.540 -2.062 1.057 1.00 95.18 103 A 1 ATOM 852 C CA . ASN A 0 103 . -18.984 -1.852 1.078 1.00 95.18 103 A 1 ATOM 853 C C . ASN A 0 103 . -19.379 -0.895 2.227 1.00 95.18 103 A 1 ATOM 854 C CB . ASN A 0 103 . -19.693 -3.229 1.085 1.00 95.18 103 A 1 ATOM 855 O O . ASN A 0 103 . -18.555 -0.510 3.057 1.00 95.18 103 A 1 ATOM 856 C CG . ASN A 0 103 . -19.600 -4.002 2.394 1.00 95.18 103 A 1 ATOM 857 N ND2 . ASN A 0 103 . -20.016 -5.247 2.409 1.00 95.18 103 A 1 ATOM 858 O OD1 . ASN A 0 103 . -19.230 -3.469 3.423 1.00 95.18 103 A 1 ATOM 859 N N . ARG A 0 104 . -20.670 -0.546 2.324 1.00 92.52 104 A 1 ATOM 860 C CA . ARG A 0 104 . -21.208 0.310 3.407 1.00 92.52 104 A 1 ATOM 861 C C . ARG A 0 104 . -21.137 -0.313 4.812 1.00 92.52 104 A 1 ATOM 862 C CB . ARG A 0 104 . -22.659 0.717 3.101 1.00 92.52 104 A 1 ATOM 863 O O . ARG A 0 104 . -21.503 0.335 5.778 1.00 92.52 104 A 1 ATOM 864 C CG . ARG A 0 104 . -22.795 1.634 1.880 1.00 92.52 104 A 1 ATOM 865 C CD . ARG A 0 104 . -24.256 2.080 1.753 1.00 92.52 104 A 1 ATOM 866 N NE . ARG A 0 104 . -24.459 2.988 0.611 1.00 92.52 104 A 1 ATOM 867 N NH1 . ARG A 0 104 . -26.693 3.393 0.974 1.00 92.52 104 A 1 ATOM 868 N NH2 . ARG A 0 104 . -25.650 4.421 -0.702 1.00 92.52 104 A 1 ATOM 869 C CZ . ARG A 0 104 . -25.595 3.589 0.298 1.00 92.52 104 A 1 ATOM 870 N N . LYS A 0 105 . -20.720 -1.576 4.931 1.00 94.12 105 A 1 ATOM 871 C CA . LYS A 0 105 . -20.462 -2.264 6.206 1.00 94.12 105 A 1 ATOM 872 C C . LYS A 0 105 . -18.965 -2.322 6.537 1.00 94.12 105 A 1 ATOM 873 C CB . LYS A 0 105 . -21.080 -3.671 6.194 1.00 94.12 105 A 1 ATOM 874 O O . LYS A 0 105 . -18.583 -2.998 7.487 1.00 94.12 105 A 1 ATOM 875 C CG . LYS A 0 105 . -22.593 -3.680 5.940 1.00 94.12 105 A 1 ATOM 876 C CD . LYS A 0 105 . -23.087 -5.127 6.021 1.00 94.12 105 A 1 ATOM 877 C CE . LYS A 0 105 . -24.595 -5.209 5.785 1.00 94.12 105 A 1 ATOM 878 N NZ . LYS A 0 105 . -25.040 -6.621 5.860 1.00 94.12 105 A 1 ATOM 879 N N . HIS A 0 106 . -18.126 -1.629 5.762 1.00 94.09 106 A 1 ATOM 880 C CA . HIS A 0 106 . -16.665 -1.621 5.879 1.00 94.09 106 A 1 ATOM 881 C C . HIS A 0 106 . -15.990 -2.978 5.631 1.00 94.09 106 A 1 ATOM 882 C CB . HIS A 0 106 . -16.233 -0.957 7.193 1.00 94.09 106 A 1 ATOM 883 O O . HIS A 0 106 . -14.868 -3.216 6.083 1.00 94.09 106 A 1 ATOM 884 C CG . HIS A 0 106 . -16.814 0.416 7.382 1.00 94.09 106 A 1 ATOM 885 C CD2 . HIS A 0 106 . -16.907 1.391 6.427 1.00 94.09 106 A 1 ATOM 886 N ND1 . HIS A 0 106 . -17.301 0.948 8.552 1.00 94.09 106 A 1 ATOM 887 C CE1 . HIS A 0 106 . -17.676 2.210 8.300 1.00 94.09 106 A 1 ATOM 888 N NE2 . HIS A 0 106 . -17.418 2.533 7.026 1.00 94.09 106 A 1 ATOM 889 N N . GLU A 0 107 . -16.646 -3.861 4.883 1.00 95.75 107 A 1 ATOM 890 C CA . GLU A 0 107 . -16.081 -5.135 4.439 1.00 95.75 107 A 1 ATOM 891 C C . GLU A 0 107 . -15.488 -4.973 3.039 1.00 95.75 107 A 1 ATOM 892 C CB . GLU A 0 107 . -17.150 -6.233 4.437 1.00 95.75 107 A 1 ATOM 893 O O . GLU A 0 107 . -16.007 -4.198 2.231 1.00 95.75 107 A 1 ATOM 894 C CG . GLU A 0 107 . -17.848 -6.417 5.796 1.00 95.75 107 A 1 ATOM 895 C CD . GLU A 0 107 . -19.137 -7.243 5.685 1.00 95.75 107 A 1 ATOM 896 O OE1 . GLU A 0 107 . -19.401 -8.035 6.616 1.00 95.75 107 A 1 ATOM 897 O OE2 . GLU A 0 107 . -19.898 -7.027 4.706 1.00 95.75 107 A 1 ATOM 898 N N . PHE A 0 108 . -14.414 -5.708 2.737 1.00 97.05 108 A 1 ATOM 899 C CA . PHE A 0 108 . -13.835 -5.707 1.395 1.00 97.05 108 A 1 ATOM 900 C C . PHE A 0 108 . -14.865 -6.135 0.347 1.00 97.05 108 A 1 ATOM 901 C CB . PHE A 0 108 . -12.569 -6.574 1.332 1.00 97.05 108 A 1 ATOM 902 O O . PHE A 0 108 . -15.703 -7.002 0.594 1.00 97.05 108 A 1 ATOM 903 C CG . PHE A 0 108 . -11.427 -6.069 2.186 1.00 97.05 108 A 1 ATOM 904 C CD1 . PHE A 0 108 . -10.940 -4.770 1.975 1.00 97.05 108 A 1 ATOM 905 C CD2 . PHE A 0 108 . -10.850 -6.877 3.184 1.00 97.05 108 A 1 ATOM 906 C CE1 . PHE A 0 108 . -9.928 -4.254 2.795 1.00 97.05 108 A 1 ATOM 907 C CE2 . PHE A 0 108 . -9.807 -6.374 3.982 1.00 97.05 108 A 1 ATOM 908 C CZ . PHE A 0 108 . -9.354 -5.056 3.797 1.00 97.05 108 A 1 ATOM 909 N N . MET A 0 109 . -14.803 -5.498 -0.818 1.00 97.95 109 A 1 ATOM 910 C CA . MET A 0 109 . -15.638 -5.814 -1.970 1.00 97.95 109 A 1 ATOM 911 C C . MET A 0 109 . -14.875 -5.558 -3.267 1.00 97.95 109 A 1 ATOM 912 C CB . MET A 0 109 . -16.941 -4.997 -1.930 1.00 97.95 109 A 1 ATOM 913 O O . MET A 0 109 . -13.886 -4.824 -3.278 1.00 97.95 109 A 1 ATOM 914 C CG . MET A 0 109 . -16.736 -3.493 -2.164 1.00 97.95 109 A 1 ATOM 915 S SD . MET A 0 109 . -18.269 -2.525 -2.263 1.00 97.95 109 A 1 ATOM 916 C CE . MET A 0 109 . -18.934 -3.096 -3.847 1.00 97.95 109 A 1 ATOM 917 N N . ASN A 0 110 . -15.382 -6.099 -4.376 1.00 98.02 110 A 1 ATOM 918 C CA . ASN A 0 110 . -14.841 -5.784 -5.693 1.00 98.02 110 A 1 ATOM 919 C C . ASN A 0 110 . -14.973 -4.285 -5.994 1.00 98.02 110 A 1 ATOM 920 C CB . ASN A 0 110 . -15.524 -6.635 -6.775 1.00 98.02 110 A 1 ATOM 921 O O . ASN A 0 110 . -16.048 -3.695 -5.859 1.00 98.02 110 A 1 ATOM 922 C CG . ASN A 0 110 . -15.084 -8.085 -6.724 1.00 98.02 110 A 1 ATOM 923 N ND2 . ASN A 0 110 . -16.005 -9.020 -6.741 1.00 98.02 110 A 1 ATOM 924 O OD1 . ASN A 0 110 . -13.911 -8.403 -6.653 1.00 98.02 110 A 1 ATOM 925 N N . CYS A 0 111 . -13.883 -3.682 -6.450 1.00 97.57 111 A 1 ATOM 926 C CA . CYS A 0 111 . -13.882 -2.357 -7.028 1.00 97.57 111 A 1 ATOM 927 C C . CYS A 0 111 . -14.668 -2.338 -8.351 1.00 97.57 111 A 1 ATOM 928 C CB . CYS A 0 111 . -12.437 -1.890 -7.232 1.00 97.57 111 A 1 ATOM 929 O O . CYS A 0 111 . -14.335 -3.085 -9.274 1.00 97.57 111 A 1 ATOM 930 S SG . CYS A 0 111 . -11.554 -1.437 -5.716 1.00 97.57 111 A 1 ATOM 931 N N . PRO A 0 112 . -15.673 -1.452 -8.493 1.00 96.40 112 A 1 ATOM 932 C CA . PRO A 0 112 . -16.473 -1.365 -9.715 1.00 96.40 112 A 1 ATOM 933 C C . PRO A 0 112 . -15.705 -0.750 -10.895 1.00 96.40 112 A 1 ATOM 934 C CB . PRO A 0 112 . -17.692 -0.521 -9.328 1.00 96.40 112 A 1 ATOM 935 O O . PRO A 0 112 . -16.045 -1.004 -12.046 1.00 96.40 112 A 1 ATOM 936 C CG . PRO A 0 112 . -17.190 0.354 -8.181 1.00 96.40 112 A 1 ATOM 937 C CD . PRO A 0 112 . -16.184 -0.546 -7.472 1.00 96.40 112 A 1 ATOM 938 N N . PHE A 0 113 . -14.669 0.051 -10.624 1.00 94.57 113 A 1 ATOM 939 C CA . PHE A 0 113 . -13.880 0.739 -11.645 1.00 94.57 113 A 1 ATOM 940 C C . PHE A 0 113 . -12.412 0.324 -11.571 1.00 94.57 113 A 1 ATOM 941 C CB . PHE A 0 113 . -14.042 2.258 -11.509 1.00 94.57 113 A 1 ATOM 942 O O . PHE A 0 113 . -11.723 0.580 -10.577 1.00 94.57 113 A 1 ATOM 943 C CG . PHE A 0 113 . -15.481 2.731 -11.563 1.00 94.57 113 A 1 ATOM 944 C CD1 . PHE A 0 113 . -16.201 2.673 -12.771 1.00 94.57 113 A 1 ATOM 945 C CD2 . PHE A 0 113 . -16.112 3.204 -10.397 1.00 94.57 113 A 1 ATOM 946 C CE1 . PHE A 0 113 . -17.546 3.081 -12.811 1.00 94.57 113 A 1 ATOM 947 C CE2 . PHE A 0 113 . -17.459 3.605 -10.435 1.00 94.57 113 A 1 ATOM 948 C CZ . PHE A 0 113 . -18.176 3.543 -11.643 1.00 94.57 113 A 1 ATOM 949 N N . LEU A 0 114 . -11.929 -0.284 -12.652 1.00 92.53 114 A 1 ATOM 950 C CA . LEU A 0 114 . -10.517 -0.595 -12.832 1.00 92.53 114 A 1 ATOM 951 C C . LEU A 0 114 . -9.761 0.670 -13.253 1.00 92.53 114 A 1 ATOM 952 C CB . LEU A 0 114 . -10.349 -1.748 -13.837 1.00 92.53 114 A 1 ATOM 953 O O . LEU A 0 114 . -10.301 1.530 -13.949 1.00 92.53 114 A 1 ATOM 954 C CG . LEU A 0 114 . -11.119 -3.035 -13.474 1.00 92.53 114 A 1 ATOM 955 C CD1 . LEU A 0 114 . -10.822 -4.113 -14.515 1.00 92.53 114 A 1 ATOM 956 C CD2 . LEU A 0 114 . -10.755 -3.581 -12.091 1.00 92.53 114 A 1 ATOM 957 N N . GLY A 0 115 . -8.528 0.802 -12.775 1.00 94.45 115 A 1 ATOM 958 C CA . GLY A 0 115 . -7.694 1.965 -13.048 1.00 94.45 115 A 1 ATOM 959 C C . GLY A 0 115 . -7.045 1.912 -14.430 1.00 94.45 115 A 1 ATOM 960 O O . GLY A 0 115 . -7.340 1.049 -15.254 1.00 94.45 115 A 1 ATOM 961 N N . ASN A 0 116 . -6.159 2.866 -14.700 1.00 96.27 116 A 1 ATOM 962 C CA . ASN A 0 116 . -5.613 3.125 -16.038 1.00 96.27 116 A 1 ATOM 963 C C . ASN A 0 116 . -4.178 2.606 -16.263 1.00 96.27 116 A 1 ATOM 964 C CB . ASN A 0 116 . -5.737 4.631 -16.327 1.00 96.27 116 A 1 ATOM 965 O O . ASN A 0 116 . -3.538 2.997 -17.245 1.00 96.27 116 A 1 ATOM 966 C CG . ASN A 0 116 . -4.776 5.458 -15.491 1.00 96.27 116 A 1 ATOM 967 N ND2 . ASN A 0 116 . -4.580 6.712 -15.809 1.00 96.27 116 A 1 ATOM 968 O OD1 . ASN A 0 116 . -4.176 4.998 -14.540 1.00 96.27 116 A 1 ATOM 969 N N . CYS A 0 117 . -3.635 1.780 -15.363 1.00 96.74 117 A 1 ATOM 970 C CA . CYS A 0 117 . -2.295 1.233 -15.554 1.00 96.74 117 A 1 ATOM 971 C C . CYS A 0 117 . -2.213 0.381 -16.837 1.00 96.74 117 A 1 ATOM 972 C CB . CYS A 0 117 . -1.848 0.443 -14.321 1.00 96.74 117 A 1 ATOM 973 O O . CYS A 0 117 . -3.070 -0.474 -17.064 1.00 96.74 117 A 1 ATOM 974 S SG . CYS A 0 117 . -1.404 1.461 -12.890 1.00 96.74 117 A 1 ATOM 975 N N . PRO A 0 118 . -1.182 0.573 -17.683 1.00 95.58 118 A 1 ATOM 976 C CA . PRO A 0 118 . -0.960 -0.271 -18.861 1.00 95.58 118 A 1 ATOM 977 C C . PRO A 0 118 . -0.502 -1.681 -18.454 1.00 95.58 118 A 1 ATOM 978 C CB . PRO A 0 118 . 0.103 0.478 -19.668 1.00 95.58 118 A 1 ATOM 979 O O . PRO A 0 118 . -0.366 -1.974 -17.273 1.00 95.58 118 A 1 ATOM 980 C CG . PRO A 0 118 . 0.930 1.135 -18.569 1.00 95.58 118 A 1 ATOM 981 C CD . PRO A 0 118 . -0.113 1.553 -17.545 1.00 95.58 118 A 1 ATOM 982 N N . VAL A 0 119 . -0.198 -2.561 -19.418 1.00 96.36 119 A 1 ATOM 983 C CA . VAL A 0 119 . 0.258 -3.943 -19.138 1.00 96.36 119 A 1 ATOM 984 C C . VAL A 0 119 . 1.431 -3.979 -18.152 1.00 96.36 119 A 1 ATOM 985 C CB . VAL A 0 119 . 0.655 -4.675 -20.438 1.00 96.36 119 A 1 ATOM 986 O O . VAL A 0 119 . 1.435 -4.810 -17.247 1.00 96.36 119 A 1 ATOM 987 C CG1 . VAL A 0 119 . 1.114 -6.117 -20.181 1.00 96.36 119 A 1 ATOM 988 C CG2 . VAL A 0 119 . -0.523 -4.736 -21.419 1.00 96.36 119 A 1 ATOM 989 N N . LYS A 0 120 . 2.386 -3.048 -18.295 1.00 96.11 120 A 1 ATOM 990 C CA . LYS A 0 120 . 3.556 -2.908 -17.422 1.00 96.11 120 A 1 ATOM 991 C C . LYS A 0 120 . 3.726 -1.487 -16.910 1.00 96.11 120 A 1 ATOM 992 C CB . LYS A 0 120 . 4.834 -3.340 -18.152 1.00 96.11 120 A 1 ATOM 993 O O . LYS A 0 120 . 3.670 -0.543 -17.693 1.00 96.11 120 A 1 ATOM 994 C CG . LYS A 0 120 . 4.879 -4.856 -18.332 1.00 96.11 120 A 1 ATOM 995 C CD . LYS A 0 120 . 6.194 -5.308 -18.971 1.00 96.11 120 A 1 ATOM 996 C CE . LYS A 0 120 . 6.166 -6.837 -19.027 1.00 96.11 120 A 1 ATOM 997 N NZ . LYS A 0 120 . 7.417 -7.406 -19.573 1.00 96.11 120 A 1 ATOM 998 N N . PHE A 0 121 . 4.036 -1.345 -15.630 1.00 96.13 121 A 1 ATOM 999 C CA . PHE A 0 121 . 4.308 -0.061 -14.985 1.00 96.13 121 A 1 ATOM 1000 C C . PHE A 0 121 . 5.602 -0.111 -14.166 1.00 96.13 121 A 1 ATOM 1001 C CB . PHE A 0 121 . 3.105 0.330 -14.119 1.00 96.13 121 A 1 ATOM 1002 O O . PHE A 0 121 . 6.112 -1.180 -13.839 1.00 96.13 121 A 1 ATOM 1003 C CG . PHE A 0 121 . 2.898 -0.577 -12.919 1.00 96.13 121 A 1 ATOM 1004 C CD1 . PHE A 0 121 . 2.099 -1.728 -13.019 1.00 96.13 121 A 1 ATOM 1005 C CD2 . PHE A 0 121 . 3.549 -0.295 -11.707 1.00 96.13 121 A 1 ATOM 1006 C CE1 . PHE A 0 121 . 1.944 -2.577 -11.909 1.00 96.13 121 A 1 ATOM 1007 C CE2 . PHE A 0 121 . 3.390 -1.139 -10.596 1.00 96.13 121 A 1 ATOM 1008 C CZ . PHE A 0 121 . 2.583 -2.281 -10.696 1.00 96.13 121 A 1 ATOM 1009 N N . ASN A 0 122 . 6.133 1.052 -13.813 1.00 95.29 122 A 1 ATOM 1010 C CA . ASN A 0 122 . 7.243 1.217 -12.883 1.00 95.29 122 A 1 ATOM 1011 C C . ASN A 0 122 . 6.709 1.640 -11.512 1.00 95.29 122 A 1 ATOM 1012 C CB . ASN A 0 122 . 8.212 2.264 -13.447 1.00 95.29 122 A 1 ATOM 1013 O O . ASN A 0 122 . 5.784 2.444 -11.424 1.00 95.29 122 A 1 ATOM 1014 C CG . ASN A 0 122 . 8.888 1.807 -14.723 1.00 95.29 122 A 1 ATOM 1015 N ND2 . ASN A 0 122 . 9.975 1.081 -14.602 1.00 95.29 122 A 1 ATOM 1016 O OD1 . ASN A 0 122 . 8.453 2.081 -15.832 1.00 95.29 122 A 1 ATOM 1017 N N . PHE A 0 123 . 7.321 1.152 -10.440 1.00 95.84 123 A 1 ATOM 1018 C CA . PHE A 0 123 . 7.044 1.626 -9.086 1.00 95.84 123 A 1 ATOM 1019 C C . PHE A 0 123 . 8.315 2.299 -8.558 1.00 95.84 123 A 1 ATOM 1020 C CB . PHE A 0 123 . 6.569 0.450 -8.223 1.00 95.84 123 A 1 ATOM 1021 O O . PHE A 0 123 . 9.193 1.587 -8.082 1.00 95.84 123 A 1 ATOM 1022 C CG . PHE A 0 123 . 6.194 0.777 -6.789 1.00 95.84 123 A 1 ATOM 1023 C CD1 . PHE A 0 123 . 6.190 -0.261 -5.838 1.00 95.84 123 A 1 ATOM 1024 C CD2 . PHE A 0 123 . 5.816 2.079 -6.395 1.00 95.84 123 A 1 ATOM 1025 C CE1 . PHE A 0 123 . 5.812 -0.006 -4.509 1.00 95.84 123 A 1 ATOM 1026 C CE2 . PHE A 0 123 . 5.454 2.336 -5.064 1.00 95.84 123 A 1 ATOM 1027 C CZ . PHE A 0 123 . 5.446 1.295 -4.123 1.00 95.84 123 A 1 ATOM 1028 N N . PRO A 0 124 . 8.484 3.622 -8.734 1.00 92.30 124 A 1 ATOM 1029 C CA . PRO A 0 124 . 9.730 4.310 -8.395 1.00 92.30 124 A 1 ATOM 1030 C C . PRO A 0 124 . 9.977 4.335 -6.882 1.00 92.30 124 A 1 ATOM 1031 C CB . PRO A 0 124 . 9.571 5.725 -8.960 1.00 92.30 124 A 1 ATOM 1032 O O . PRO A 0 124 . 9.039 4.218 -6.095 1.00 92.30 124 A 1 ATOM 1033 C CG . PRO A 0 124 . 8.062 5.951 -8.867 1.00 92.30 124 A 1 ATOM 1034 C CD . PRO A 0 124 . 7.496 4.578 -9.220 1.00 92.30 124 A 1 ATOM 1035 N N . GLN A 0 125 . 11.236 4.519 -6.479 1.00 92.15 125 A 1 ATOM 1036 C CA . GLN A 0 125 . 11.579 4.788 -5.082 1.00 92.15 125 A 1 ATOM 1037 C C . GLN A 0 125 . 10.952 6.097 -4.583 1.00 92.15 125 A 1 ATOM 1038 C CB . GLN A 0 125 . 13.101 4.772 -4.891 1.00 92.15 125 A 1 ATOM 1039 O O . GLN A 0 125 . 10.684 7.016 -5.363 1.00 92.15 125 A 1 ATOM 1040 C CG . GLN A 0 125 . 13.673 3.362 -5.109 1.00 92.15 125 A 1 ATOM 1041 C CD . GLN A 0 125 . 15.140 3.249 -4.710 1.00 92.15 125 A 1 ATOM 1042 N NE2 . GLN A 0 125 . 15.628 2.049 -4.476 1.00 92.15 125 A 1 ATOM 1043 O OE1 . GLN A 0 125 . 15.871 4.204 -4.548 1.00 92.15 125 A 1 ATOM 1044 N N . PHE A 0 126 . 10.699 6.155 -3.274 1.00 88.18 126 A 1 ATOM 1045 C CA . PHE A 0 126 . 10.238 7.369 -2.606 1.00 88.18 126 A 1 ATOM 1046 C C . PHE A 0 126 . 11.360 8.416 -2.613 1.00 88.18 126 A 1 ATOM 1047 C CB . PHE A 0 126 . 9.769 7.038 -1.181 1.00 88.18 126 A 1 ATOM 1048 O O . PHE A 0 126 . 12.529 8.055 -2.476 1.00 88.18 126 A 1 ATOM 1049 C CG . PHE A 0 126 . 8.757 5.905 -1.099 1.00 88.18 126 A 1 ATOM 1050 C CD1 . PHE A 0 126 . 7.448 6.089 -1.582 1.00 88.18 126 A 1 ATOM 1051 C CD2 . PHE A 0 126 . 9.128 4.660 -0.555 1.00 88.18 126 A 1 ATOM 1052 C CE1 . PHE A 0 126 . 6.519 5.033 -1.532 1.00 88.18 126 A 1 ATOM 1053 C CE2 . PHE A 0 126 . 8.196 3.609 -0.494 1.00 88.18 126 A 1 ATOM 1054 C CZ . PHE A 0 126 . 6.894 3.791 -0.991 1.00 88.18 126 A 1 ATOM 1055 N N . GLN A 0 127 . 10.993 9.685 -2.805 1.00 73.81 127 A 1 ATOM 1056 C CA . GLN A 0 127 . 11.906 10.822 -2.650 1.00 73.81 127 A 1 ATOM 1057 C C . GLN A 0 127 . 12.066 11.193 -1.179 1.00 73.81 127 A 1 ATOM 1058 C CB . GLN A 0 127 . 11.414 12.030 -3.459 1.00 73.81 127 A 1 ATOM 1059 O O . GLN A 0 127 . 11.083 11.002 -0.425 1.00 73.81 127 A 1 ATOM 1060 C CG . GLN A 0 127 . 11.492 11.779 -4.969 1.00 73.81 127 A 1 ATOM 1061 C CD . GLN A 0 127 . 11.010 12.959 -5.812 1.00 73.81 127 A 1 ATOM 1062 N NE2 . GLN A 0 127 . 11.033 12.828 -7.122 1.00 73.81 127 A 1 ATOM 1063 O OE1 . GLN A 0 127 . 10.596 14.013 -5.363 1.00 73.81 127 A 1 ATOM 1064 O OXT . GLN A 0 127 . 13.166 11.692 -0.873 1.00 73.81 127 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 94.00 # loop_ _atom_type.symbol C N O S #