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 LEU 0 3 ARG 0 4 TYR 0 5 ARG 0 6 GLU 0 7 ILE 0 8 HIS 0 9 ASP 0 10 LEU 0 11 VAL 0 12 HIS 0 13 THR 0 14 LEU 0 15 LEU 0 16 GLY 0 17 GLN 0 18 PRO 0 19 THR 0 20 ASP 0 21 MET 0 22 LEU 0 23 GLY 0 24 GLU 0 25 VAL 0 26 VAL 0 27 VAL 0 28 LYS 0 29 TRP 0 30 VAL 0 31 GLU 0 32 GLY 0 33 ILE 0 34 GLN 0 35 THR 0 36 LEU 0 37 LEU 0 38 PRO 0 39 MET 0 40 CYS 0 41 LEU 0 42 THR 0 43 GLY 0 44 GLY 0 45 TYR 0 46 PHE 0 47 GLY 0 48 SER 0 49 LEU 0 50 ARG 0 51 LEU 0 52 ALA 0 53 PRO 0 54 LYS 0 55 GLN 0 56 THR 0 57 GLU 0 58 CYS 0 59 PHE 0 60 VAL 0 61 ARG 0 62 SER 0 63 HIS 0 64 LEU 0 65 GLU 0 66 TYR 0 67 ALA 0 68 ILE 0 69 ARG 0 70 THR 0 71 GLY 0 72 ARG 0 73 GLU 0 74 ALA 0 75 ARG 0 76 PHE 0 77 LEU 0 78 MET 0 79 CYS 0 80 VAL 0 81 TYR 0 82 PHE 0 83 GLU 0 84 GLU 0 85 HIS 0 86 TRP 0 87 GLU 0 88 ASP 0 89 ASN 0 90 LEU 0 91 GLU 0 92 ASP 0 93 LEU 0 94 ARG 0 95 SER 0 96 SER 0 97 LEU 0 98 ASN 0 99 ILE 0 100 GLN 0 101 SER 0 102 PRO 0 103 PRO 0 104 PRO 0 105 PRO 0 106 ARG 0 107 LYS 0 108 LEU 0 109 ASP # 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 . -14.505 5.698 2.815 1.00 85.40 1 A 1 ATOM 2 C CA . MET A 0 1 . -13.732 6.723 2.073 1.00 85.40 1 A 1 ATOM 3 C C . MET A 0 1 . -13.029 7.724 2.980 1.00 85.40 1 A 1 ATOM 4 C CB . MET A 0 1 . -14.551 7.449 0.992 1.00 85.40 1 A 1 ATOM 5 O O . MET A 0 1 . -11.894 8.032 2.662 1.00 85.40 1 A 1 ATOM 6 C CG . MET A 0 1 . -14.913 6.514 -0.168 1.00 85.40 1 A 1 ATOM 7 S SD . MET A 0 1 . -13.501 5.672 -0.936 1.00 85.40 1 A 1 ATOM 8 C CE . MET A 0 1 . -12.842 6.978 -2.010 1.00 85.40 1 A 1 ATOM 9 N N . LEU A 0 2 . -13.641 8.225 4.066 1.00 94.26 2 A 1 ATOM 10 C CA . LEU A 0 2 . -12.980 9.186 4.969 1.00 94.26 2 A 1 ATOM 11 C C . LEU A 0 2 . -11.677 8.628 5.568 1.00 94.26 2 A 1 ATOM 12 C CB . LEU A 0 2 . -13.975 9.654 6.048 1.00 94.26 2 A 1 ATOM 13 O O . LEU A 0 2 . -10.615 9.116 5.206 1.00 94.26 2 A 1 ATOM 14 C CG . LEU A 0 2 . -13.384 10.675 7.043 1.00 94.26 2 A 1 ATOM 15 C CD1 . LEU A 0 2 . -12.937 11.960 6.342 1.00 94.26 2 A 1 ATOM 16 C CD2 . LEU A 0 2 . -14.442 11.020 8.088 1.00 94.26 2 A 1 ATOM 17 N N . ARG A 0 3 . -11.752 7.525 6.332 1.00 95.14 3 A 1 ATOM 18 C CA . ARG A 0 3 . -10.566 6.888 6.938 1.00 95.14 3 A 1 ATOM 19 C C . ARG A 0 3 . -9.458 6.599 5.930 1.00 95.14 3 A 1 ATOM 20 C CB . ARG A 0 3 . -10.956 5.603 7.699 1.00 95.14 3 A 1 ATOM 21 O O . ARG A 0 3 . -8.309 6.916 6.177 1.00 95.14 3 A 1 ATOM 22 C CG . ARG A 0 3 . -9.773 4.899 8.408 1.00 95.14 3 A 1 ATOM 23 C CD . ARG A 0 3 . -9.096 5.828 9.429 1.00 95.14 3 A 1 ATOM 24 N NE . ARG A 0 3 . -8.047 5.174 10.245 1.00 95.14 3 A 1 ATOM 25 N NH1 . ARG A 0 3 . -7.460 7.079 11.427 1.00 95.14 3 A 1 ATOM 26 N NH2 . ARG A 0 3 . -6.442 5.219 11.913 1.00 95.14 3 A 1 ATOM 27 C CZ . ARG A 0 3 . -7.326 5.808 11.170 1.00 95.14 3 A 1 ATOM 28 N N . TYR A 0 4 . -9.826 6.039 4.777 1.00 95.90 4 A 1 ATOM 29 C CA . TYR A 0 4 . -8.895 5.791 3.674 1.00 95.90 4 A 1 ATOM 30 C C . TYR A 0 4 . -8.087 7.046 3.299 1.00 95.90 4 A 1 ATOM 31 C CB . TYR A 0 4 . -9.686 5.277 2.459 1.00 95.90 4 A 1 ATOM 32 O O . TYR A 0 4 . -6.871 6.976 3.180 1.00 95.90 4 A 1 ATOM 33 C CG . TYR A 0 4 . -8.885 5.311 1.176 1.00 95.90 4 A 1 ATOM 34 C CD1 . TYR A 0 4 . -9.053 6.369 0.260 1.00 95.90 4 A 1 ATOM 35 C CD2 . TYR A 0 4 . -7.886 4.347 0.969 1.00 95.90 4 A 1 ATOM 36 C CE1 . TYR A 0 4 . -8.191 6.486 -0.847 1.00 95.90 4 A 1 ATOM 37 C CE2 . TYR A 0 4 . -7.031 4.461 -0.136 1.00 95.90 4 A 1 ATOM 38 O OH . TYR A 0 4 . -6.281 5.691 -2.051 1.00 95.90 4 A 1 ATOM 39 C CZ . TYR A 0 4 . -7.160 5.543 -1.030 1.00 95.90 4 A 1 ATOM 40 N N . ARG A 0 5 . -8.759 8.193 3.136 1.00 95.95 5 A 1 ATOM 41 C CA . ARG A 0 5 . -8.100 9.457 2.782 1.00 95.95 5 A 1 ATOM 42 C C . ARG A 0 5 . -7.242 9.999 3.920 1.00 95.95 5 A 1 ATOM 43 C CB . ARG A 0 5 . -9.138 10.508 2.375 1.00 95.95 5 A 1 ATOM 44 O O . ARG A 0 5 . -6.173 10.517 3.646 1.00 95.95 5 A 1 ATOM 45 C CG . ARG A 0 5 . -9.803 10.186 1.034 1.00 95.95 5 A 1 ATOM 46 C CD . ARG A 0 5 . -10.872 11.236 0.734 1.00 95.95 5 A 1 ATOM 47 N NE . ARG A 0 5 . -11.485 11.026 -0.592 1.00 95.95 5 A 1 ATOM 48 N NH1 . ARG A 0 5 . -12.919 12.814 -0.506 1.00 95.95 5 A 1 ATOM 49 N NH2 . ARG A 0 5 . -12.844 11.549 -2.345 1.00 95.95 5 A 1 ATOM 50 C CZ . ARG A 0 5 . -12.411 11.792 -1.139 1.00 95.95 5 A 1 ATOM 51 N N . GLU A 0 6 . -7.704 9.875 5.162 1.00 96.47 6 A 1 ATOM 52 C CA . GLU A 0 6 . -6.981 10.360 6.346 1.00 96.47 6 A 1 ATOM 53 C C . GLU A 0 6 . -5.658 9.623 6.561 1.00 96.47 6 A 1 ATOM 54 C CB . GLU A 0 6 . -7.863 10.189 7.591 1.00 96.47 6 A 1 ATOM 55 O O . GLU A 0 6 . -4.681 10.241 6.970 1.00 96.47 6 A 1 ATOM 56 C CG . GLU A 0 6 . -9.064 11.146 7.588 1.00 96.47 6 A 1 ATOM 57 C CD . GLU A 0 6 . -10.102 10.816 8.670 1.00 96.47 6 A 1 ATOM 58 O OE1 . GLU A 0 6 . -10.868 11.742 9.019 1.00 96.47 6 A 1 ATOM 59 O OE2 . GLU A 0 6 . -10.237 9.620 9.030 1.00 96.47 6 A 1 ATOM 60 N N . ILE A 0 7 . -5.608 8.320 6.264 1.00 97.26 7 A 1 ATOM 61 C CA . ILE A 0 7 . -4.388 7.530 6.470 1.00 97.26 7 A 1 ATOM 62 C C . ILE A 0 7 . -3.478 7.450 5.249 1.00 97.26 7 A 1 ATOM 63 C CB . ILE A 0 7 . -4.683 6.122 7.016 1.00 97.26 7 A 1 ATOM 64 O O . ILE A 0 7 . -2.369 6.951 5.381 1.00 97.26 7 A 1 ATOM 65 C CG1 . ILE A 0 7 . -5.305 5.198 5.944 1.00 97.26 7 A 1 ATOM 66 C CG2 . ILE A 0 7 . -5.532 6.211 8.294 1.00 97.26 7 A 1 ATOM 67 C CD1 . ILE A 0 7 . -5.268 3.734 6.368 1.00 97.26 7 A 1 ATOM 68 N N . HIS A 0 8 . -3.924 7.884 4.070 1.00 97.83 8 A 1 ATOM 69 C CA . HIS A 0 8 . -3.186 7.697 2.817 1.00 97.83 8 A 1 ATOM 70 C C . HIS A 0 8 . -1.733 8.194 2.916 1.00 97.83 8 A 1 ATOM 71 C CB . HIS A 0 8 . -3.952 8.418 1.707 1.00 97.83 8 A 1 ATOM 72 O O . HIS A 0 8 . -0.796 7.437 2.665 1.00 97.83 8 A 1 ATOM 73 C CG . HIS A 0 8 . -3.202 8.459 0.407 1.00 97.83 8 A 1 ATOM 74 C CD2 . HIS A 0 8 . -2.731 9.581 -0.218 1.00 97.83 8 A 1 ATOM 75 N ND1 . HIS A 0 8 . -2.770 7.371 -0.319 1.00 97.83 8 A 1 ATOM 76 C CE1 . HIS A 0 8 . -2.023 7.832 -1.337 1.00 97.83 8 A 1 ATOM 77 N NE2 . HIS A 0 8 . -2.076 9.167 -1.376 1.00 97.83 8 A 1 ATOM 78 N N . ASP A 0 9 . -1.539 9.420 3.398 1.00 97.70 9 A 1 ATOM 79 C CA . ASP A 0 9 . -0.201 10.002 3.549 1.00 97.70 9 A 1 ATOM 80 C C . ASP A 0 9 . 0.611 9.308 4.660 1.00 97.70 9 A 1 ATOM 81 C CB . ASP A 0 9 . -0.328 11.510 3.815 1.00 97.70 9 A 1 ATOM 82 O O . ASP A 0 9 . 1.830 9.176 4.562 1.00 97.70 9 A 1 ATOM 83 C CG . ASP A 0 9 . -0.948 12.302 2.653 1.00 97.70 9 A 1 ATOM 84 O OD1 . ASP A 0 9 . -0.974 11.783 1.518 1.00 97.70 9 A 1 ATOM 85 O OD2 . ASP A 0 9 . -1.424 13.428 2.917 1.00 97.70 9 A 1 ATOM 86 N N . LEU A 0 10 . -0.051 8.777 5.693 1.00 97.42 10 A 1 ATOM 87 C CA . LEU A 0 10 . 0.605 7.980 6.738 1.00 97.42 10 A 1 ATOM 88 C C . LEU A 0 10 . 1.107 6.640 6.192 1.00 97.42 10 A 1 ATOM 89 C CB . LEU A 0 10 . -0.366 7.736 7.905 1.00 97.42 10 A 1 ATOM 90 O O . LEU A 0 10 . 2.162 6.148 6.597 1.00 97.42 10 A 1 ATOM 91 C CG . LEU A 0 10 . -0.939 9.011 8.541 1.00 97.42 10 A 1 ATOM 92 C CD1 . LEU A 0 10 . -1.968 8.605 9.594 1.00 97.42 10 A 1 ATOM 93 C CD2 . LEU A 0 10 . 0.173 9.856 9.166 1.00 97.42 10 A 1 ATOM 94 N N . VAL A 0 11 . 0.379 6.060 5.235 1.00 97.96 11 A 1 ATOM 95 C CA . VAL A 0 11 . 0.779 4.832 4.547 1.00 97.96 11 A 1 ATOM 96 C C . VAL A 0 11 . 2.050 5.064 3.724 1.00 97.96 11 A 1 ATOM 97 C CB . VAL A 0 11 . -0.383 4.258 3.709 1.00 97.96 11 A 1 ATOM 98 O O . VAL A 0 11 . 2.902 4.178 3.703 1.00 97.96 11 A 1 ATOM 99 C CG1 . VAL A 0 11 . 0.049 3.053 2.869 1.00 97.96 11 A 1 ATOM 100 C CG2 . VAL A 0 11 . -1.528 3.771 4.611 1.00 97.96 11 A 1 ATOM 101 N N . HIS A 0 12 . 2.262 6.247 3.135 1.00 97.70 12 A 1 ATOM 102 C CA . HIS A 0 12 . 3.545 6.581 2.496 1.00 97.70 12 A 1 ATOM 103 C C . HIS A 0 12 . 4.717 6.464 3.481 1.00 97.70 12 A 1 ATOM 104 C CB . HIS A 0 12 . 3.501 7.986 1.875 1.00 97.70 12 A 1 ATOM 105 O O . HIS A 0 12 . 5.703 5.779 3.193 1.00 97.70 12 A 1 ATOM 106 C CG . HIS A 0 12 . 2.881 7.996 0.510 1.00 97.70 12 A 1 ATOM 107 C CD2 . HIS A 0 12 . 1.550 8.104 0.208 1.00 97.70 12 A 1 ATOM 108 N ND1 . HIS A 0 12 . 3.565 7.872 -0.678 1.00 97.70 12 A 1 ATOM 109 C CE1 . HIS A 0 12 . 2.665 7.903 -1.673 1.00 97.70 12 A 1 ATOM 110 N NE2 . HIS A 0 12 . 1.425 7.992 -1.178 1.00 97.70 12 A 1 ATOM 111 N N . THR A 0 13 . 4.593 7.055 4.673 1.00 96.27 13 A 1 ATOM 112 C CA . THR A 0 13 . 5.614 6.969 5.729 1.00 96.27 13 A 1 ATOM 113 C C . THR A 0 13 . 5.829 5.531 6.194 1.00 96.27 13 A 1 ATOM 114 C CB . THR A 0 13 . 5.219 7.844 6.928 1.00 96.27 13 A 1 ATOM 115 O O . THR A 0 13 . 6.968 5.049 6.246 1.00 96.27 13 A 1 ATOM 116 C CG2 . THR A 0 13 . 6.290 7.878 8.018 1.00 96.27 13 A 1 ATOM 117 O OG1 . THR A 0 13 . 5.028 9.169 6.499 1.00 96.27 13 A 1 ATOM 118 N N . LEU A 0 14 . 4.742 4.810 6.475 1.00 97.28 14 A 1 ATOM 119 C CA . LEU A 0 14 . 4.803 3.425 6.931 1.00 97.28 14 A 1 ATOM 120 C C . LEU A 0 14 . 5.483 2.523 5.898 1.00 97.28 14 A 1 ATOM 121 C CB . LEU A 0 14 . 3.381 2.947 7.255 1.00 97.28 14 A 1 ATOM 122 O O . LEU A 0 14 . 6.328 1.710 6.258 1.00 97.28 14 A 1 ATOM 123 C CG . LEU A 0 14 . 3.330 1.522 7.834 1.00 97.28 14 A 1 ATOM 124 C CD1 . LEU A 0 14 . 4.039 1.412 9.186 1.00 97.28 14 A 1 ATOM 125 C CD2 . LEU A 0 14 . 1.870 1.113 8.002 1.00 97.28 14 A 1 ATOM 126 N N . LEU A 0 15 . 5.190 2.702 4.612 1.00 97.55 15 A 1 ATOM 127 C CA . LEU A 0 15 . 5.757 1.903 3.525 1.00 97.55 15 A 1 ATOM 128 C C . LEU A 0 15 . 7.102 2.423 3.004 1.00 97.55 15 A 1 ATOM 129 C CB . LEU A 0 15 . 4.725 1.793 2.393 1.00 97.55 15 A 1 ATOM 130 O O . LEU A 0 15 . 7.638 1.844 2.055 1.00 97.55 15 A 1 ATOM 131 C CG . LEU A 0 15 . 3.399 1.123 2.794 1.00 97.55 15 A 1 ATOM 132 C CD1 . LEU A 0 15 . 2.535 0.999 1.544 1.00 97.55 15 A 1 ATOM 133 C CD2 . LEU A 0 15 . 3.610 -0.267 3.382 1.00 97.55 15 A 1 ATOM 134 N N . GLY A 0 16 . 7.632 3.505 3.582 1.00 96.04 16 A 1 ATOM 135 C CA . GLY A 0 16 . 8.883 4.129 3.154 1.00 96.04 16 A 1 ATOM 136 C C . GLY A 0 16 . 8.852 4.611 1.703 1.00 96.04 16 A 1 ATOM 137 O O . GLY A 0 16 . 9.874 4.549 1.024 1.00 96.04 16 A 1 ATOM 138 N N . GLN A 0 17 . 7.685 5.030 1.206 1.00 95.71 17 A 1 ATOM 139 C CA . GLN A 0 17 . 7.500 5.475 -0.173 1.00 95.71 17 A 1 ATOM 140 C C . GLN A 0 17 . 7.391 7.001 -0.241 1.00 95.71 17 A 1 ATOM 141 C CB . GLN A 0 17 . 6.261 4.820 -0.801 1.00 95.71 17 A 1 ATOM 142 O O . GLN A 0 17 . 6.563 7.578 0.464 1.00 95.71 17 A 1 ATOM 143 C CG . GLN A 0 17 . 6.378 3.296 -0.930 1.00 95.71 17 A 1 ATOM 144 C CD . GLN A 0 17 . 7.646 2.864 -1.658 1.00 95.71 17 A 1 ATOM 145 N NE2 . GLN A 0 17 . 8.523 2.124 -1.016 1.00 95.71 17 A 1 ATOM 146 O OE1 . GLN A 0 17 . 7.873 3.203 -2.808 1.00 95.71 17 A 1 ATOM 147 N N . PRO A 0 18 . 8.175 7.677 -1.099 1.00 94.50 18 A 1 ATOM 148 C CA . PRO A 0 18 . 8.012 9.109 -1.323 1.00 94.50 18 A 1 ATOM 149 C C . PRO A 0 18 . 6.672 9.414 -2.011 1.00 94.50 18 A 1 ATOM 150 C CB . PRO A 0 18 . 9.213 9.510 -2.185 1.00 94.50 18 A 1 ATOM 151 O O . PRO A 0 18 . 6.019 8.526 -2.555 1.00 94.50 18 A 1 ATOM 152 C CG . PRO A 0 18 . 9.498 8.245 -2.994 1.00 94.50 18 A 1 ATOM 153 C CD . PRO A 0 18 . 9.163 7.122 -2.017 1.00 94.50 18 A 1 ATOM 154 N N . THR A 0 19 . 6.283 10.686 -2.045 1.00 94.85 19 A 1 ATOM 155 C CA . THR A 0 19 . 5.092 11.181 -2.763 1.00 94.85 19 A 1 ATOM 156 C C . THR A 0 19 . 5.401 11.529 -4.227 1.00 94.85 19 A 1 ATOM 157 C CB . THR A 0 19 . 4.461 12.355 -2.002 1.00 94.85 19 A 1 ATOM 158 O O . THR A 0 19 . 4.904 12.505 -4.787 1.00 94.85 19 A 1 ATOM 159 C CG2 . THR A 0 19 . 3.868 11.902 -0.668 1.00 94.85 19 A 1 ATOM 160 O OG1 . THR A 0 19 . 5.445 13.326 -1.696 1.00 94.85 19 A 1 ATOM 161 N N . ASP A 0 20 . 6.282 10.746 -4.860 1.00 93.53 20 A 1 ATOM 162 C CA . ASP A 0 20 . 6.544 10.824 -6.298 1.00 93.53 20 A 1 ATOM 163 C C . ASP A 0 20 . 5.686 9.807 -7.069 1.00 93.53 20 A 1 ATOM 164 C CB . ASP A 0 20 . 8.058 10.737 -6.593 1.00 93.53 20 A 1 ATOM 165 O O . ASP A 0 20 . 5.025 8.951 -6.486 1.00 93.53 20 A 1 ATOM 166 C CG . ASP A 0 20 . 8.701 9.341 -6.569 1.00 93.53 20 A 1 ATOM 167 O OD1 . ASP A 0 20 . 7.985 8.333 -6.403 1.00 93.53 20 A 1 ATOM 168 O OD2 . ASP A 0 20 . 9.915 9.266 -6.859 1.00 93.53 20 A 1 ATOM 169 N N . MET A 0 21 . 5.698 9.869 -8.404 1.00 93.69 21 A 1 ATOM 170 C CA . MET A 0 21 . 4.850 8.987 -9.219 1.00 93.69 21 A 1 ATOM 171 C C . MET A 0 21 . 5.111 7.488 -8.970 1.00 93.69 21 A 1 ATOM 172 C CB . MET A 0 21 . 5.049 9.332 -10.703 1.00 93.69 21 A 1 ATOM 173 O O . MET A 0 21 . 4.189 6.685 -9.090 1.00 93.69 21 A 1 ATOM 174 C CG . MET A 0 21 . 4.010 8.691 -11.632 1.00 93.69 21 A 1 ATOM 175 S SD . MET A 0 21 . 2.310 9.304 -11.442 1.00 93.69 21 A 1 ATOM 176 C CE . MET A 0 21 . 1.526 7.870 -10.658 1.00 93.69 21 A 1 ATOM 177 N N . LEU A 0 22 . 6.344 7.092 -8.631 1.00 94.44 22 A 1 ATOM 178 C CA . LEU A 0 22 . 6.654 5.695 -8.327 1.00 94.44 22 A 1 ATOM 179 C C . LEU A 0 22 . 6.072 5.306 -6.965 1.00 94.44 22 A 1 ATOM 180 C CB . LEU A 0 22 . 8.177 5.473 -8.397 1.00 94.44 22 A 1 ATOM 181 O O . LEU A 0 22 . 5.372 4.300 -6.877 1.00 94.44 22 A 1 ATOM 182 C CG . LEU A 0 22 . 8.632 4.072 -7.937 1.00 94.44 22 A 1 ATOM 183 C CD1 . LEU A 0 22 . 8.009 2.964 -8.782 1.00 94.44 22 A 1 ATOM 184 C CD2 . LEU A 0 22 . 10.152 3.951 -8.065 1.00 94.44 22 A 1 ATOM 185 N N . GLY A 0 23 . 6.328 6.105 -5.932 1.00 95.76 23 A 1 ATOM 186 C CA . GLY A 0 23 . 5.823 5.858 -4.587 1.00 95.76 23 A 1 ATOM 187 C C . GLY A 0 23 . 4.296 5.846 -4.531 1.00 95.76 23 A 1 ATOM 188 O O . GLY A 0 23 . 3.722 4.934 -3.943 1.00 95.76 23 A 1 ATOM 189 N N . GLU A 0 24 . 3.632 6.754 -5.248 1.00 97.17 24 A 1 ATOM 190 C CA . GLU A 0 24 . 2.175 6.748 -5.431 1.00 97.17 24 A 1 ATOM 191 C C . GLU A 0 24 . 1.678 5.422 -6.007 1.00 97.17 24 A 1 ATOM 192 C CB . GLU A 0 24 . 1.772 7.880 -6.388 1.00 97.17 24 A 1 ATOM 193 O O . GLU A 0 24 . 0.771 4.798 -5.460 1.00 97.17 24 A 1 ATOM 194 C CG . GLU A 0 24 . 1.832 9.264 -5.735 1.00 97.17 24 A 1 ATOM 195 C CD . GLU A 0 24 . 0.833 9.429 -4.586 1.00 97.17 24 A 1 ATOM 196 O OE1 . GLU A 0 24 . 1.107 10.333 -3.772 1.00 97.17 24 A 1 ATOM 197 O OE2 . GLU A 0 24 . -0.189 8.693 -4.590 1.00 97.17 24 A 1 ATOM 198 N N . VAL A 0 25 . 2.294 4.934 -7.088 1.00 97.27 25 A 1 ATOM 199 C CA . VAL A 0 25 . 1.914 3.648 -7.693 1.00 97.27 25 A 1 ATOM 200 C C . VAL A 0 25 . 2.060 2.510 -6.686 1.00 97.27 25 A 1 ATOM 201 C CB . VAL A 0 25 . 2.729 3.387 -8.974 1.00 97.27 25 A 1 ATOM 202 O O . VAL A 0 25 . 1.154 1.686 -6.567 1.00 97.27 25 A 1 ATOM 203 C CG1 . VAL A 0 25 . 2.611 1.950 -9.496 1.00 97.27 25 A 1 ATOM 204 C CG2 . VAL A 0 25 . 2.216 4.297 -10.089 1.00 97.27 25 A 1 ATOM 205 N N . VAL A 0 26 . 3.164 2.470 -5.942 1.00 97.37 26 A 1 ATOM 206 C CA . VAL A 0 26 . 3.437 1.435 -4.934 1.00 97.37 26 A 1 ATOM 207 C C . VAL A 0 26 . 2.390 1.453 -3.824 1.00 97.37 26 A 1 ATOM 208 C CB . VAL A 0 26 . 4.857 1.619 -4.371 1.00 97.37 26 A 1 ATOM 209 O O . VAL A 0 26 . 1.817 0.407 -3.513 1.00 97.37 26 A 1 ATOM 210 C CG1 . VAL A 0 26 . 5.189 0.668 -3.213 1.00 97.37 26 A 1 ATOM 211 C CG2 . VAL A 0 26 . 5.865 1.345 -5.489 1.00 97.37 26 A 1 ATOM 212 N N . VAL A 0 27 . 2.077 2.631 -3.279 1.00 98.04 27 A 1 ATOM 213 C CA . VAL A 0 27 . 1.031 2.794 -2.261 1.00 98.04 27 A 1 ATOM 214 C C . VAL A 0 27 . -0.330 2.377 -2.816 1.00 98.04 27 A 1 ATOM 215 C CB . VAL A 0 27 . 1.023 4.233 -1.707 1.00 98.04 27 A 1 ATOM 216 O O . VAL A 0 27 . -1.025 1.584 -2.180 1.00 98.04 27 A 1 ATOM 217 C CG1 . VAL A 0 27 . -0.179 4.485 -0.791 1.00 98.04 27 A 1 ATOM 218 C CG2 . VAL A 0 27 . 2.301 4.471 -0.893 1.00 98.04 27 A 1 ATOM 219 N N . LYS A 0 28 . -0.692 2.788 -4.040 1.00 98.31 28 A 1 ATOM 220 C CA . LYS A 0 28 . -1.952 2.375 -4.682 1.00 98.31 28 A 1 ATOM 221 C C . LYS A 0 28 . -2.051 0.870 -4.908 1.00 98.31 28 A 1 ATOM 222 C CB . LYS A 0 28 . -2.167 3.111 -6.016 1.00 98.31 28 A 1 ATOM 223 O O . LYS A 0 28 . -3.154 0.336 -4.818 1.00 98.31 28 A 1 ATOM 224 C CG . LYS A 0 28 . -2.453 4.619 -5.936 1.00 98.31 28 A 1 ATOM 225 C CD . LYS A 0 28 . -3.572 4.999 -4.966 1.00 98.31 28 A 1 ATOM 226 C CE . LYS A 0 28 . -3.689 6.521 -4.887 1.00 98.31 28 A 1 ATOM 227 N NZ . LYS A 0 28 . -4.285 6.927 -3.595 1.00 98.31 28 A 1 ATOM 228 N N . TRP A 0 29 . -0.946 0.172 -5.169 1.00 98.19 29 A 1 ATOM 229 C CA . TRP A 0 29 . -0.943 -1.292 -5.238 1.00 98.19 29 A 1 ATOM 230 C C . TRP A 0 29 . -1.255 -1.923 -3.881 1.00 98.19 29 A 1 ATOM 231 C CB . TRP A 0 29 . 0.380 -1.811 -5.812 1.00 98.19 29 A 1 ATOM 232 O O . TRP A 0 29 . -2.132 -2.783 -3.813 1.00 98.19 29 A 1 ATOM 233 C CG . TRP A 0 29 . 0.398 -1.884 -7.304 1.00 98.19 29 A 1 ATOM 234 C CD1 . TRP A 0 29 . 1.032 -1.034 -8.139 1.00 98.19 29 A 1 ATOM 235 C CD2 . TRP A 0 29 . -0.264 -2.858 -8.162 1.00 98.19 29 A 1 ATOM 236 C CE2 . TRP A 0 29 . 0.004 -2.518 -9.521 1.00 98.19 29 A 1 ATOM 237 C CE3 . TRP A 0 29 . -1.065 -3.995 -7.924 1.00 98.19 29 A 1 ATOM 238 N NE1 . TRP A 0 29 . 0.759 -1.370 -9.448 1.00 98.19 29 A 1 ATOM 239 C CH2 . TRP A 0 29 . -1.265 -4.409 -10.326 1.00 98.19 29 A 1 ATOM 240 C CZ2 . TRP A 0 29 . -0.481 -3.275 -10.595 1.00 98.19 29 A 1 ATOM 241 C CZ3 . TRP A 0 29 . -1.560 -4.763 -8.995 1.00 98.19 29 A 1 ATOM 242 N N . VAL A 0 30 . -0.609 -1.472 -2.802 1.00 98.43 30 A 1 ATOM 243 C CA . VAL A 0 30 . -0.882 -1.977 -1.443 1.00 98.43 30 A 1 ATOM 244 C C . VAL A 0 30 . -2.329 -1.688 -1.040 1.00 98.43 30 A 1 ATOM 245 C CB . VAL A 0 30 . 0.112 -1.391 -0.419 1.00 98.43 30 A 1 ATOM 246 O O . VAL A 0 30 . -3.071 -2.601 -0.673 1.00 98.43 30 A 1 ATOM 247 C CG1 . VAL A 0 30 . -0.218 -1.832 1.014 1.00 98.43 30 A 1 ATOM 248 C CG2 . VAL A 0 30 . 1.535 -1.869 -0.732 1.00 98.43 30 A 1 ATOM 249 N N . GLU A 0 31 . -2.766 -0.437 -1.184 1.00 98.35 31 A 1 ATOM 250 C CA . GLU A 0 31 . -4.139 -0.018 -0.899 1.00 98.35 31 A 1 ATOM 251 C C . GLU A 0 31 . -5.149 -0.772 -1.769 1.00 98.35 31 A 1 ATOM 252 C CB . GLU A 0 31 . -4.298 1.482 -1.178 1.00 98.35 31 A 1 ATOM 253 O O . GLU A 0 31 . -6.191 -1.201 -1.281 1.00 98.35 31 A 1 ATOM 254 C CG . GLU A 0 31 . -3.553 2.399 -0.197 1.00 98.35 31 A 1 ATOM 255 C CD . GLU A 0 31 . -3.702 3.885 -0.573 1.00 98.35 31 A 1 ATOM 256 O OE1 . GLU A 0 31 . -3.473 4.741 0.300 1.00 98.35 31 A 1 ATOM 257 O OE2 . GLU A 0 31 . -4.154 4.207 -1.705 1.00 98.35 31 A 1 ATOM 258 N N . GLY A 0 32 . -4.865 -0.951 -3.058 1.00 98.07 32 A 1 ATOM 259 C CA . GLY A 0 32 . -5.736 -1.647 -3.999 1.00 98.07 32 A 1 ATOM 260 C C . GLY A 0 32 . -5.924 -3.114 -3.635 1.00 98.07 32 A 1 ATOM 261 O O . GLY A 0 32 . -7.056 -3.592 -3.637 1.00 98.07 32 A 1 ATOM 262 N N . ILE A 0 33 . -4.846 -3.807 -3.259 1.00 98.10 33 A 1 ATOM 263 C CA . ILE A 0 33 . -4.899 -5.208 -2.823 1.00 98.10 33 A 1 ATOM 264 C C . ILE A 0 33 . -5.716 -5.347 -1.536 1.00 98.10 33 A 1 ATOM 265 C CB . ILE A 0 33 . -3.469 -5.772 -2.658 1.00 98.10 33 A 1 ATOM 266 O O . ILE A 0 33 . -6.552 -6.242 -1.444 1.00 98.10 33 A 1 ATOM 267 C CG1 . ILE A 0 33 . -2.788 -5.900 -4.040 1.00 98.10 33 A 1 ATOM 268 C CG2 . ILE A 0 33 . -3.483 -7.153 -1.975 1.00 98.10 33 A 1 ATOM 269 C CD1 . ILE A 0 33 . -1.269 -6.085 -3.950 1.00 98.10 33 A 1 ATOM 270 N N . GLN A 0 34 . -5.505 -4.461 -0.560 1.00 98.21 34 A 1 ATOM 271 C CA . GLN A 0 34 . -6.177 -4.552 0.735 1.00 98.21 34 A 1 ATOM 272 C C . GLN A 0 34 . -7.645 -4.113 0.686 1.00 98.21 34 A 1 ATOM 273 C CB . GLN A 0 34 . -5.404 -3.710 1.758 1.00 98.21 34 A 1 ATOM 274 O O . GLN A 0 34 . -8.505 -4.731 1.306 1.00 98.21 34 A 1 ATOM 275 C CG . GLN A 0 34 . -4.095 -4.387 2.193 1.00 98.21 34 A 1 ATOM 276 C CD . GLN A 0 34 . -3.527 -3.807 3.484 1.00 98.21 34 A 1 ATOM 277 N NE2 . GLN A 0 34 . -2.595 -4.492 4.108 1.00 98.21 34 A 1 ATOM 278 O OE1 . GLN A 0 34 . -3.962 -2.781 3.991 1.00 98.21 34 A 1 ATOM 279 N N . THR A 0 35 . -7.940 -3.018 -0.015 1.00 97.05 35 A 1 ATOM 280 C CA . THR A 0 35 . -9.247 -2.347 0.062 1.00 97.05 35 A 1 ATOM 281 C C . THR A 0 35 . -10.176 -2.670 -1.104 1.00 97.05 35 A 1 ATOM 282 C CB . THR A 0 35 . -9.089 -0.823 0.183 1.00 97.05 35 A 1 ATOM 283 O O . THR A 0 35 . -11.375 -2.412 -1.006 1.00 97.05 35 A 1 ATOM 284 C CG2 . THR A 0 35 . -8.108 -0.392 1.276 1.00 97.05 35 A 1 ATOM 285 O OG1 . THR A 0 35 . -8.640 -0.274 -1.036 1.00 97.05 35 A 1 ATOM 286 N N . LEU A 0 36 . -9.636 -3.188 -2.216 1.00 96.83 36 A 1 ATOM 287 C CA . LEU A 0 36 . -10.338 -3.402 -3.488 1.00 96.83 36 A 1 ATOM 288 C C . LEU A 0 36 . -11.045 -2.151 -4.033 1.00 96.83 36 A 1 ATOM 289 C CB . LEU A 0 36 . -11.275 -4.620 -3.393 1.00 96.83 36 A 1 ATOM 290 O O . LEU A 0 36 . -11.927 -2.245 -4.889 1.00 96.83 36 A 1 ATOM 291 C CG . LEU A 0 36 . -10.595 -5.931 -2.967 1.00 96.83 36 A 1 ATOM 292 C CD1 . LEU A 0 36 . -11.654 -7.032 -2.899 1.00 96.83 36 A 1 ATOM 293 C CD2 . LEU A 0 36 . -9.508 -6.368 -3.952 1.00 96.83 36 A 1 ATOM 294 N N . LEU A 0 37 . -10.665 -0.962 -3.557 1.00 96.48 37 A 1 ATOM 295 C CA . LEU A 0 37 . -11.252 0.280 -4.028 1.00 96.48 37 A 1 ATOM 296 C C . LEU A 0 37 . -10.894 0.472 -5.507 1.00 96.48 37 A 1 ATOM 297 C CB . LEU A 0 37 . -10.776 1.461 -3.170 1.00 96.48 37 A 1 ATOM 298 O O . LEU A 0 37 . -9.704 0.473 -5.843 1.00 96.48 37 A 1 ATOM 299 C CG . LEU A 0 37 . -11.362 1.474 -1.747 1.00 96.48 37 A 1 ATOM 300 C CD1 . LEU A 0 37 . -10.706 2.594 -0.938 1.00 96.48 37 A 1 ATOM 301 C CD2 . LEU A 0 37 . -12.876 1.711 -1.735 1.00 96.48 37 A 1 ATOM 302 N N . PRO A 0 38 . -11.889 0.704 -6.390 1.00 96.29 38 A 1 ATOM 303 C CA . PRO A 0 38 . -11.640 0.866 -7.817 1.00 96.29 38 A 1 ATOM 304 C C . PRO A 0 38 . -10.582 1.924 -8.108 1.00 96.29 38 A 1 ATOM 305 C CB . PRO A 0 38 . -12.994 1.232 -8.432 1.00 96.29 38 A 1 ATOM 306 O O . PRO A 0 38 . -9.695 1.681 -8.912 1.00 96.29 38 A 1 ATOM 307 C CG . PRO A 0 38 . -13.983 0.521 -7.512 1.00 96.29 38 A 1 ATOM 308 C CD . PRO A 0 38 . -13.326 0.643 -6.139 1.00 96.29 38 A 1 ATOM 309 N N . MET A 0 39 . -10.613 3.053 -7.394 1.00 95.24 39 A 1 ATOM 310 C CA . MET A 0 39 . -9.659 4.144 -7.596 1.00 95.24 39 A 1 ATOM 311 C C . MET A 0 39 . -8.211 3.732 -7.291 1.00 95.24 39 A 1 ATOM 312 C CB . MET A 0 39 . -10.109 5.359 -6.772 1.00 95.24 39 A 1 ATOM 313 O O . MET A 0 39 . -7.310 4.110 -8.037 1.00 95.24 39 A 1 ATOM 314 C CG . MET A 0 39 . -9.379 6.645 -7.184 1.00 95.24 39 A 1 ATOM 315 S SD . MET A 0 39 . -8.101 7.216 -6.034 1.00 95.24 39 A 1 ATOM 316 C CE . MET A 0 39 . -9.131 7.957 -4.741 1.00 95.24 39 A 1 ATOM 317 N N . CYS A 0 40 . -7.988 2.903 -6.266 1.00 96.82 40 A 1 ATOM 318 C CA . CYS A 0 40 . -6.659 2.394 -5.928 1.00 96.82 40 A 1 ATOM 319 C C . CYS A 0 40 . -6.172 1.386 -6.966 1.00 96.82 40 A 1 ATOM 320 C CB . CYS A 0 40 . -6.665 1.775 -4.526 1.00 96.82 40 A 1 ATOM 321 O O . CYS A 0 40 . -5.067 1.521 -7.483 1.00 96.82 40 A 1 ATOM 322 S SG . CYS A 0 40 . -7.279 2.979 -3.325 1.00 96.82 40 A 1 ATOM 323 N N . LEU A 0 41 . -7.030 0.435 -7.347 1.00 96.76 41 A 1 ATOM 324 C CA . LEU A 0 41 . -6.715 -0.556 -8.377 1.00 96.76 41 A 1 ATOM 325 C C . LEU A 0 41 . -6.401 0.111 -9.723 1.00 96.76 41 A 1 ATOM 326 C CB . LEU A 0 41 . -7.896 -1.534 -8.511 1.00 96.76 41 A 1 ATOM 327 O O . LEU A 0 41 . -5.377 -0.179 -10.341 1.00 96.76 41 A 1 ATOM 328 C CG . LEU A 0 41 . -8.119 -2.443 -7.288 1.00 96.76 41 A 1 ATOM 329 C CD1 . LEU A 0 41 . -9.414 -3.232 -7.479 1.00 96.76 41 A 1 ATOM 330 C CD2 . LEU A 0 41 . -6.974 -3.441 -7.105 1.00 96.76 41 A 1 ATOM 331 N N . THR A 0 42 . -7.240 1.053 -10.162 1.00 96.54 42 A 1 ATOM 332 C CA . THR A 0 42 . -7.014 1.788 -11.412 1.00 96.54 42 A 1 ATOM 333 C C . THR A 0 42 . -5.808 2.713 -11.318 1.00 96.54 42 A 1 ATOM 334 C CB . THR A 0 42 . -8.242 2.598 -11.856 1.00 96.54 42 A 1 ATOM 335 O O . THR A 0 42 . -5.072 2.832 -12.292 1.00 96.54 42 A 1 ATOM 336 C CG2 . THR A 0 42 . -9.420 1.694 -12.223 1.00 96.54 42 A 1 ATOM 337 O OG1 . THR A 0 42 . -8.676 3.524 -10.882 1.00 96.54 42 A 1 ATOM 338 N N . GLY A 0 43 . -5.578 3.346 -10.164 1.00 95.30 43 A 1 ATOM 339 C CA . GLY A 0 43 . -4.433 4.224 -9.930 1.00 95.30 43 A 1 ATOM 340 C C . GLY A 0 43 . -3.108 3.466 -9.974 1.00 95.30 43 A 1 ATOM 341 O O . GLY A 0 43 . -2.196 3.882 -10.681 1.00 95.30 43 A 1 ATOM 342 N N . GLY A 0 44 . -3.029 2.311 -9.309 1.00 95.67 44 A 1 ATOM 343 C CA . GLY A 0 44 . -1.855 1.437 -9.345 1.00 95.67 44 A 1 ATOM 344 C C . GLY A 0 44 . -1.595 0.882 -10.746 1.00 95.67 44 A 1 ATOM 345 O O . GLY A 0 44 . -0.472 0.961 -11.247 1.00 95.67 44 A 1 ATOM 346 N N . TYR A 0 45 . -2.638 0.393 -11.426 1.00 96.05 45 A 1 ATOM 347 C CA . TYR A 0 45 . -2.506 -0.159 -12.775 1.00 96.05 45 A 1 ATOM 348 C C . TYR A 0 45 . -2.141 0.910 -13.814 1.00 96.05 45 A 1 ATOM 349 C CB . TYR A 0 45 . -3.780 -0.917 -13.168 1.00 96.05 45 A 1 ATOM 350 O O . TYR A 0 45 . -1.072 0.843 -14.416 1.00 96.05 45 A 1 ATOM 351 C CG . TYR A 0 45 . -3.668 -1.584 -14.526 1.00 96.05 45 A 1 ATOM 352 C CD1 . TYR A 0 45 . -4.298 -1.021 -15.654 1.00 96.05 45 A 1 ATOM 353 C CD2 . TYR A 0 45 . -2.896 -2.754 -14.663 1.00 96.05 45 A 1 ATOM 354 C CE1 . TYR A 0 45 . -4.161 -1.633 -16.915 1.00 96.05 45 A 1 ATOM 355 C CE2 . TYR A 0 45 . -2.754 -3.367 -15.922 1.00 96.05 45 A 1 ATOM 356 O OH . TYR A 0 45 . -3.256 -3.388 -18.271 1.00 96.05 45 A 1 ATOM 357 C CZ . TYR A 0 45 . -3.389 -2.806 -17.051 1.00 96.05 45 A 1 ATOM 358 N N . PHE A 0 46 . -2.970 1.937 -14.012 1.00 97.16 46 A 1 ATOM 359 C CA . PHE A 0 46 . -2.703 2.958 -15.031 1.00 97.16 46 A 1 ATOM 360 C C . PHE A 0 46 . -1.535 3.877 -14.669 1.00 97.16 46 A 1 ATOM 361 C CB . PHE A 0 46 . -3.962 3.784 -15.320 1.00 97.16 46 A 1 ATOM 362 O O . PHE A 0 46 . -0.860 4.373 -15.570 1.00 97.16 46 A 1 ATOM 363 C CG . PHE A 0 46 . -5.026 3.028 -16.087 1.00 97.16 46 A 1 ATOM 364 C CD1 . PHE A 0 46 . -4.808 2.703 -17.438 1.00 97.16 46 A 1 ATOM 365 C CD2 . PHE A 0 46 . -6.234 2.659 -15.467 1.00 97.16 46 A 1 ATOM 366 C CE1 . PHE A 0 46 . -5.785 1.998 -18.163 1.00 97.16 46 A 1 ATOM 367 C CE2 . PHE A 0 46 . -7.214 1.958 -16.192 1.00 97.16 46 A 1 ATOM 368 C CZ . PHE A 0 46 . -6.988 1.625 -17.539 1.00 97.16 46 A 1 ATOM 369 N N . GLY A 0 47 . -1.263 4.089 -13.379 1.00 95.78 47 A 1 ATOM 370 C CA . GLY A 0 47 . -0.075 4.807 -12.929 1.00 95.78 47 A 1 ATOM 371 C C . GLY A 0 47 . 1.206 4.061 -13.298 1.00 95.78 47 A 1 ATOM 372 O O . GLY A 0 47 . 2.132 4.683 -13.814 1.00 95.78 47 A 1 ATOM 373 N N . SER A 0 48 . 1.232 2.728 -13.154 1.00 95.03 48 A 1 ATOM 374 C CA . SER A 0 48 . 2.395 1.917 -13.548 1.00 95.03 48 A 1 ATOM 375 C C . SER A 0 48 . 2.726 2.016 -15.043 1.00 95.03 48 A 1 ATOM 376 C CB . SER A 0 48 . 2.225 0.456 -13.115 1.00 95.03 48 A 1 ATOM 377 O O . SER A 0 48 . 3.896 1.993 -15.416 1.00 95.03 48 A 1 ATOM 378 O OG . SER A 0 48 . 1.270 -0.253 -13.879 1.00 95.03 48 A 1 ATOM 379 N N . LEU A 0 49 . 1.718 2.228 -15.898 1.00 95.68 49 A 1 ATOM 380 C CA . LEU A 0 49 . 1.899 2.420 -17.343 1.00 95.68 49 A 1 ATOM 381 C C . LEU A 0 49 . 2.484 3.794 -17.714 1.00 95.68 49 A 1 ATOM 382 C CB . LEU A 0 49 . 0.552 2.218 -18.062 1.00 95.68 49 A 1 ATOM 383 O O . LEU A 0 49 . 2.916 3.988 -18.848 1.00 95.68 49 A 1 ATOM 384 C CG . LEU A 0 49 . -0.095 0.833 -17.883 1.00 95.68 49 A 1 ATOM 385 C CD1 . LEU A 0 49 . -1.433 0.802 -18.623 1.00 95.68 49 A 1 ATOM 386 C CD2 . LEU A 0 49 . 0.781 -0.297 -18.424 1.00 95.68 49 A 1 ATOM 387 N N . ARG A 0 50 . 2.473 4.759 -16.787 1.00 94.22 50 A 1 ATOM 388 C CA . ARG A 0 50 . 2.941 6.140 -17.002 1.00 94.22 50 A 1 ATOM 389 C C . ARG A 0 50 . 4.311 6.424 -16.386 1.00 94.22 50 A 1 ATOM 390 C CB . ARG A 0 50 . 1.885 7.125 -16.484 1.00 94.22 50 A 1 ATOM 391 O O . ARG A 0 50 . 4.772 7.562 -16.444 1.00 94.22 50 A 1 ATOM 392 C CG . ARG A 0 50 . 0.608 7.099 -17.329 1.00 94.22 50 A 1 ATOM 393 C CD . ARG A 0 50 . -0.377 8.126 -16.769 1.00 94.22 50 A 1 ATOM 394 N NE . ARG A 0 50 . -1.595 8.213 -17.594 1.00 94.22 50 A 1 ATOM 395 N NH1 . ARG A 0 50 . -2.515 10.027 -16.532 1.00 94.22 50 A 1 ATOM 396 N NH2 . ARG A 0 50 . -3.592 9.088 -18.250 1.00 94.22 50 A 1 ATOM 397 C CZ . ARG A 0 50 . -2.558 9.106 -17.456 1.00 94.22 50 A 1 ATOM 398 N N . LEU A 0 51 . 4.954 5.423 -15.791 1.00 93.12 51 A 1 ATOM 399 C CA . LEU A 0 51 . 6.276 5.570 -15.191 1.00 93.12 51 A 1 ATOM 400 C C . LEU A 0 51 . 7.347 5.815 -16.266 1.00 93.12 51 A 1 ATOM 401 C CB . LEU A 0 51 . 6.582 4.330 -14.332 1.00 93.12 51 A 1 ATOM 402 O O . LEU A 0 51 . 7.325 5.219 -17.346 1.00 93.12 51 A 1 ATOM 403 C CG . LEU A 0 51 . 5.697 4.173 -13.082 1.00 93.12 51 A 1 ATOM 404 C CD1 . LEU A 0 51 . 6.044 2.862 -12.377 1.00 93.12 51 A 1 ATOM 405 C CD2 . LEU A 0 51 . 5.874 5.316 -12.080 1.00 93.12 51 A 1 ATOM 406 N N . ALA A 0 52 . 8.309 6.692 -15.966 1.00 92.80 52 A 1 ATOM 407 C CA . ALA A 0 52 . 9.473 6.890 -16.825 1.00 92.80 52 A 1 ATOM 408 C C . ALA A 0 52 . 10.321 5.602 -16.881 1.00 92.80 52 A 1 ATOM 409 C CB . ALA A 0 52 . 10.284 8.081 -16.298 1.00 92.80 52 A 1 ATOM 410 O O . ALA A 0 52 . 10.344 4.866 -15.896 1.00 92.80 52 A 1 ATOM 411 N N . PRO A 0 53 . 11.106 5.342 -17.945 1.00 92.19 53 A 1 ATOM 412 C CA . PRO A 0 53 . 11.827 4.072 -18.109 1.00 92.19 53 A 1 ATOM 413 C C . PRO A 0 53 . 12.648 3.630 -16.885 1.00 92.19 53 A 1 ATOM 414 C CB . PRO A 0 53 . 12.709 4.276 -19.344 1.00 92.19 53 A 1 ATOM 415 O O . PRO A 0 53 . 12.550 2.483 -16.456 1.00 92.19 53 A 1 ATOM 416 C CG . PRO A 0 53 . 11.899 5.262 -20.186 1.00 92.19 53 A 1 ATOM 417 C CD . PRO A 0 53 . 11.233 6.159 -19.144 1.00 92.19 53 A 1 ATOM 418 N N . LYS A 0 54 . 13.381 4.562 -16.255 1.00 90.17 54 A 1 ATOM 419 C CA . LYS A 0 54 . 14.141 4.295 -15.019 1.00 90.17 54 A 1 ATOM 420 C C . LYS A 0 54 . 13.240 3.970 -13.814 1.00 90.17 54 A 1 ATOM 421 C CB . LYS A 0 54 . 15.054 5.490 -14.674 1.00 90.17 54 A 1 ATOM 422 O O . LYS A 0 54 . 13.606 3.155 -12.973 1.00 90.17 54 A 1 ATOM 423 C CG . LYS A 0 54 . 16.233 5.715 -15.641 1.00 90.17 54 A 1 ATOM 424 C CD . LYS A 0 54 . 17.198 6.781 -15.078 1.00 90.17 54 A 1 ATOM 425 C CE . LYS A 0 54 . 18.461 6.971 -15.939 1.00 90.17 54 A 1 ATOM 426 N NZ . LYS A 0 54 . 19.502 7.802 -15.257 1.00 90.17 54 A 1 ATOM 427 N N . GLN A 0 55 . 12.078 4.619 -13.703 1.00 92.01 55 A 1 ATOM 428 C CA . GLN A 0 55 . 11.100 4.318 -12.651 1.00 92.01 55 A 1 ATOM 429 C C . GLN A 0 55 . 10.461 2.950 -12.887 1.00 92.01 55 A 1 ATOM 430 C CB . GLN A 0 55 . 9.999 5.384 -12.589 1.00 92.01 55 A 1 ATOM 431 O O . GLN A 0 55 . 10.312 2.197 -11.934 1.00 92.01 55 A 1 ATOM 432 C CG . GLN A 0 55 . 10.477 6.752 -12.093 1.00 92.01 55 A 1 ATOM 433 C CD . GLN A 0 55 . 9.352 7.777 -12.180 1.00 92.01 55 A 1 ATOM 434 N NE2 . GLN A 0 55 . 9.020 8.460 -11.106 1.00 92.01 55 A 1 ATOM 435 O OE1 . GLN A 0 55 . 8.762 7.983 -13.231 1.00 92.01 55 A 1 ATOM 436 N N . THR A 0 56 . 10.146 2.607 -14.137 1.00 93.62 56 A 1 ATOM 437 C CA . THR A 0 56 . 9.601 1.299 -14.518 1.00 93.62 56 A 1 ATOM 438 C C . THR A 0 56 . 10.575 0.170 -14.200 1.00 93.62 56 A 1 ATOM 439 C CB . THR A 0 56 . 9.252 1.275 -16.012 1.00 93.62 56 A 1 ATOM 440 O O . THR A 0 56 . 10.166 -0.842 -13.642 1.00 93.62 56 A 1 ATOM 441 C CG2 . THR A 0 56 . 8.510 0.006 -16.423 1.00 93.62 56 A 1 ATOM 442 O OG1 . THR A 0 56 . 8.408 2.365 -16.286 1.00 93.62 56 A 1 ATOM 443 N N . GLU A 0 57 . 11.868 0.344 -14.483 1.00 92.60 57 A 1 ATOM 444 C CA . GLU A 0 57 . 12.892 -0.640 -14.113 1.00 92.60 57 A 1 ATOM 445 C C . GLU A 0 57 . 12.938 -0.856 -12.593 1.00 92.60 57 A 1 ATOM 446 C CB . GLU A 0 57 . 14.254 -0.167 -14.640 1.00 92.60 57 A 1 ATOM 447 O O . GLU A 0 57 . 12.855 -1.988 -12.119 1.00 92.60 57 A 1 ATOM 448 C CG . GLU A 0 57 . 15.346 -1.229 -14.435 1.00 92.60 57 A 1 ATOM 449 C CD . GLU A 0 57 . 16.758 -0.714 -14.748 1.00 92.60 57 A 1 ATOM 450 O OE1 . GLU A 0 57 . 17.708 -1.434 -14.362 1.00 92.60 57 A 1 ATOM 451 O OE2 . GLU A 0 57 . 16.881 0.396 -15.318 1.00 92.60 57 A 1 ATOM 452 N N . CYS A 0 58 . 13.001 0.231 -11.818 1.00 91.03 58 A 1 ATOM 453 C CA . CYS A 0 58 . 12.997 0.176 -10.355 1.00 91.03 58 A 1 ATOM 454 C C . CYS A 0 58 . 11.705 -0.451 -9.799 1.00 91.03 58 A 1 ATOM 455 C CB . CYS A 0 58 . 13.174 1.611 -9.847 1.00 91.03 58 A 1 ATOM 456 O O . CYS A 0 58 . 11.729 -1.241 -8.851 1.00 91.03 58 A 1 ATOM 457 S SG . CYS A 0 58 . 13.583 1.581 -8.084 1.00 91.03 58 A 1 ATOM 458 N N . PHE A 0 59 . 10.573 -0.121 -10.421 1.00 94.22 59 A 1 ATOM 459 C CA . PHE A 0 59 . 9.266 -0.652 -10.078 1.00 94.22 59 A 1 ATOM 460 C C . PHE A 0 59 . 9.227 -2.168 -10.252 1.00 94.22 59 A 1 ATOM 461 C CB . PHE A 0 59 . 8.185 0.030 -10.922 1.00 94.22 59 A 1 ATOM 462 O O . PHE A 0 59 . 8.939 -2.886 -9.300 1.00 94.22 59 A 1 ATOM 463 C CG . PHE A 0 59 . 6.793 -0.501 -10.668 1.00 94.22 59 A 1 ATOM 464 C CD1 . PHE A 0 59 . 6.099 -1.160 -11.699 1.00 94.22 59 A 1 ATOM 465 C CD2 . PHE A 0 59 . 6.203 -0.362 -9.397 1.00 94.22 59 A 1 ATOM 466 C CE1 . PHE A 0 59 . 4.811 -1.667 -11.465 1.00 94.22 59 A 1 ATOM 467 C CE2 . PHE A 0 59 . 4.920 -0.880 -9.160 1.00 94.22 59 A 1 ATOM 468 C CZ . PHE A 0 59 . 4.221 -1.516 -10.199 1.00 94.22 59 A 1 ATOM 469 N N . VAL A 0 60 . 9.582 -2.659 -11.439 1.00 94.14 60 A 1 ATOM 470 C CA . VAL A 0 60 . 9.545 -4.089 -11.768 1.00 94.14 60 A 1 ATOM 471 C C . VAL A 0 60 . 10.572 -4.880 -10.957 1.00 94.14 60 A 1 ATOM 472 C CB . VAL A 0 60 . 9.748 -4.285 -13.284 1.00 94.14 60 A 1 ATOM 473 O O . VAL A 0 60 . 10.276 -5.993 -10.536 1.00 94.14 60 A 1 ATOM 474 C CG1 . VAL A 0 60 . 9.879 -5.759 -13.686 1.00 94.14 60 A 1 ATOM 475 C CG2 . VAL A 0 60 . 8.554 -3.711 -14.063 1.00 94.14 60 A 1 ATOM 476 N N . ARG A 0 61 . 11.764 -4.319 -10.710 1.00 92.90 61 A 1 ATOM 477 C CA . ARG A 0 61 . 12.862 -5.042 -10.052 1.00 92.90 61 A 1 ATOM 478 C C . ARG A 0 61 . 12.669 -5.240 -8.551 1.00 92.90 61 A 1 ATOM 479 C CB . ARG A 0 61 . 14.188 -4.325 -10.346 1.00 92.90 61 A 1 ATOM 480 O O . ARG A 0 61 . 13.190 -6.211 -8.017 1.00 92.90 61 A 1 ATOM 481 C CG . ARG A 0 61 . 15.400 -5.221 -10.048 1.00 92.90 61 A 1 ATOM 482 C CD . ARG A 0 61 . 16.718 -4.495 -10.325 1.00 92.90 61 A 1 ATOM 483 N NE . ARG A 0 61 . 17.158 -3.694 -9.167 1.00 92.90 61 A 1 ATOM 484 N NH1 . ARG A 0 61 . 19.045 -2.836 -10.148 1.00 92.90 61 A 1 ATOM 485 N NH2 . ARG A 0 61 . 18.624 -2.407 -7.995 1.00 92.90 61 A 1 ATOM 486 C CZ . ARG A 0 61 . 18.271 -2.986 -9.109 1.00 92.90 61 A 1 ATOM 487 N N . SER A 0 62 . 12.014 -4.310 -7.856 1.00 92.50 62 A 1 ATOM 488 C CA . SER A 0 62 . 11.907 -4.383 -6.390 1.00 92.50 62 A 1 ATOM 489 C C . SER A 0 62 . 10.567 -3.929 -5.829 1.00 92.50 62 A 1 ATOM 490 C CB . SER A 0 62 . 13.042 -3.589 -5.731 1.00 92.50 62 A 1 ATOM 491 O O . SER A 0 62 . 10.034 -4.574 -4.928 1.00 92.50 62 A 1 ATOM 492 O OG . SER A 0 62 . 13.038 -2.222 -6.111 1.00 92.50 62 A 1 ATOM 493 N N . HIS A 0 63 . 10.001 -2.830 -6.328 1.00 95.38 63 A 1 ATOM 494 C CA . HIS A 0 63 . 8.849 -2.220 -5.663 1.00 95.38 63 A 1 ATOM 495 C C . HIS A 0 63 . 7.536 -2.962 -5.924 1.00 95.38 63 A 1 ATOM 496 C CB . HIS A 0 63 . 8.705 -0.755 -6.052 1.00 95.38 63 A 1 ATOM 497 O O . HIS A 0 63 . 6.673 -2.975 -5.054 1.00 95.38 63 A 1 ATOM 498 C CG . HIS A 0 63 . 9.830 0.145 -5.622 1.00 95.38 63 A 1 ATOM 499 C CD2 . HIS A 0 63 . 9.735 1.149 -4.697 1.00 95.38 63 A 1 ATOM 500 N ND1 . HIS A 0 63 . 11.141 0.104 -6.043 1.00 95.38 63 A 1 ATOM 501 C CE1 . HIS A 0 63 . 11.820 1.038 -5.355 1.00 95.38 63 A 1 ATOM 502 N NE2 . HIS A 0 63 . 11.002 1.709 -4.538 1.00 95.38 63 A 1 ATOM 503 N N . LEU A 0 64 . 7.374 -3.590 -7.091 1.00 95.94 64 A 1 ATOM 504 C CA . LEU A 0 64 . 6.178 -4.358 -7.432 1.00 95.94 64 A 1 ATOM 505 C C . LEU A 0 64 . 6.046 -5.598 -6.545 1.00 95.94 64 A 1 ATOM 506 C CB . LEU A 0 64 . 6.226 -4.724 -8.926 1.00 95.94 64 A 1 ATOM 507 O O . LEU A 0 64 . 4.984 -5.830 -5.974 1.00 95.94 64 A 1 ATOM 508 C CG . LEU A 0 64 . 5.065 -5.626 -9.390 1.00 95.94 64 A 1 ATOM 509 C CD1 . LEU A 0 64 . 3.693 -4.988 -9.170 1.00 95.94 64 A 1 ATOM 510 C CD2 . LEU A 0 64 . 5.216 -5.923 -10.881 1.00 95.94 64 A 1 ATOM 511 N N . GLU A 0 65 . 7.123 -6.373 -6.398 1.00 96.23 65 A 1 ATOM 512 C CA . GLU A 0 65 . 7.139 -7.534 -5.503 1.00 96.23 65 A 1 ATOM 513 C C . GLU A 0 65 . 6.874 -7.104 -4.057 1.00 96.23 65 A 1 ATOM 514 C CB . GLU A 0 65 . 8.478 -8.272 -5.632 1.00 96.23 65 A 1 ATOM 515 O O . GLU A 0 65 . 5.997 -7.670 -3.402 1.00 96.23 65 A 1 ATOM 516 C CG . GLU A 0 65 . 8.498 -9.544 -4.768 1.00 96.23 65 A 1 ATOM 517 C CD . GLU A 0 65 . 9.806 -10.340 -4.870 1.00 96.23 65 A 1 ATOM 518 O OE1 . GLU A 0 65 . 9.849 -11.425 -4.247 1.00 96.23 65 A 1 ATOM 519 O OE2 . GLU A 0 65 . 10.743 -9.869 -5.553 1.00 96.23 65 A 1 ATOM 520 N N . TYR A 0 66 . 7.551 -6.048 -3.595 1.00 97.48 66 A 1 ATOM 521 C CA . TYR A 0 66 . 7.319 -5.465 -2.276 1.00 97.48 66 A 1 ATOM 522 C C . TYR A 0 66 . 5.858 -5.040 -2.071 1.00 97.48 66 A 1 ATOM 523 C CB . TYR A 0 66 . 8.266 -4.276 -2.085 1.00 97.48 66 A 1 ATOM 524 O O . TYR A 0 66 . 5.254 -5.403 -1.064 1.00 97.48 66 A 1 ATOM 525 C CG . TYR A 0 66 . 7.964 -3.460 -0.847 1.00 97.48 66 A 1 ATOM 526 C CD1 . TYR A 0 66 . 7.327 -2.208 -0.964 1.00 97.48 66 A 1 ATOM 527 C CD2 . TYR A 0 66 . 8.305 -3.963 0.422 1.00 97.48 66 A 1 ATOM 528 C CE1 . TYR A 0 66 . 7.062 -1.441 0.187 1.00 97.48 66 A 1 ATOM 529 C CE2 . TYR A 0 66 . 8.017 -3.208 1.574 1.00 97.48 66 A 1 ATOM 530 O OH . TYR A 0 66 . 7.203 -1.185 2.566 1.00 97.48 66 A 1 ATOM 531 C CZ . TYR A 0 66 . 7.411 -1.941 1.460 1.00 97.48 66 A 1 ATOM 532 N N . ALA A 0 67 . 5.259 -4.319 -3.023 1.00 97.73 67 A 1 ATOM 533 C CA . ALA A 0 67 . 3.873 -3.865 -2.934 1.00 97.73 67 A 1 ATOM 534 C C . ALA A 0 67 . 2.889 -5.039 -2.891 1.00 97.73 67 A 1 ATOM 535 C CB . ALA A 0 67 . 3.559 -2.966 -4.134 1.00 97.73 67 A 1 ATOM 536 O O . ALA A 0 67 . 1.968 -5.049 -2.076 1.00 97.73 67 A 1 ATOM 537 N N . ILE A 0 68 . 3.087 -6.049 -3.745 1.00 97.67 68 A 1 ATOM 538 C CA . ILE A 0 68 . 2.227 -7.236 -3.788 1.00 97.67 68 A 1 ATOM 539 C C . ILE A 0 68 . 2.329 -8.015 -2.481 1.00 97.67 68 A 1 ATOM 540 C CB . ILE A 0 68 . 2.564 -8.123 -5.007 1.00 97.67 68 A 1 ATOM 541 O O . ILE A 0 68 . 1.306 -8.416 -1.921 1.00 97.67 68 A 1 ATOM 542 C CG1 . ILE A 0 68 . 2.104 -7.415 -6.301 1.00 97.67 68 A 1 ATOM 543 C CG2 . ILE A 0 68 . 1.888 -9.509 -4.897 1.00 97.67 68 A 1 ATOM 544 C CD1 . ILE A 0 68 . 2.600 -8.096 -7.583 1.00 97.67 68 A 1 ATOM 545 N N . ARG A 0 69 . 3.552 -8.238 -1.998 1.00 97.70 69 A 1 ATOM 546 C CA . ARG A 0 69 . 3.802 -9.004 -0.782 1.00 97.70 69 A 1 ATOM 547 C C . ARG A 0 69 . 3.248 -8.279 0.438 1.00 97.70 69 A 1 ATOM 548 C CB . ARG A 0 69 . 5.301 -9.310 -0.693 1.00 97.70 69 A 1 ATOM 549 O O . ARG A 0 69 . 2.440 -8.856 1.155 1.00 97.70 69 A 1 ATOM 550 C CG . ARG A 0 69 . 5.553 -10.328 0.414 1.00 97.70 69 A 1 ATOM 551 C CD . ARG A 0 69 . 6.987 -10.855 0.369 1.00 97.70 69 A 1 ATOM 552 N NE . ARG A 0 69 . 7.239 -11.702 1.544 1.00 97.70 69 A 1 ATOM 553 N NH1 . ARG A 0 69 . 9.526 -11.809 1.380 1.00 97.70 69 A 1 ATOM 554 N NH2 . ARG A 0 69 . 8.496 -12.432 3.273 1.00 97.70 69 A 1 ATOM 555 C CZ . ARG A 0 69 . 8.422 -11.990 2.052 1.00 97.70 69 A 1 ATOM 556 N N . THR A 0 70 . 3.566 -6.998 0.602 1.00 98.20 70 A 1 ATOM 557 C CA . THR A 0 70 . 3.034 -6.164 1.687 1.00 98.20 70 A 1 ATOM 558 C C . THR A 0 70 . 1.512 -6.064 1.625 1.00 98.20 70 A 1 ATOM 559 C CB . THR A 0 70 . 3.671 -4.770 1.650 1.00 98.20 70 A 1 ATOM 560 O O . THR A 0 70 . 0.848 -6.264 2.634 1.00 98.20 70 A 1 ATOM 561 C CG2 . THR A 0 70 . 3.165 -3.871 2.770 1.00 98.20 70 A 1 ATOM 562 O OG1 . THR A 0 70 . 5.060 -4.902 1.844 1.00 98.20 70 A 1 ATOM 563 N N . GLY A 0 71 . 0.922 -5.849 0.446 1.00 97.85 71 A 1 ATOM 564 C CA . GLY A 0 71 . -0.535 -5.790 0.295 1.00 97.85 71 A 1 ATOM 565 C C . GLY A 0 71 . -1.254 -7.076 0.712 1.00 97.85 71 A 1 ATOM 566 O O . GLY A 0 71 . -2.378 -7.006 1.202 1.00 97.85 71 A 1 ATOM 567 N N . ARG A 0 72 . -0.616 -8.242 0.542 1.00 97.87 72 A 1 ATOM 568 C CA . ARG A 0 72 . -1.183 -9.555 0.892 1.00 97.87 72 A 1 ATOM 569 C C . ARG A 0 72 . -0.893 -9.996 2.323 1.00 97.87 72 A 1 ATOM 570 C CB . ARG A 0 72 . -0.641 -10.611 -0.077 1.00 97.87 72 A 1 ATOM 571 O O . ARG A 0 72 . -1.735 -10.653 2.925 1.00 97.87 72 A 1 ATOM 572 C CG . ARG A 0 72 . -1.247 -10.473 -1.475 1.00 97.87 72 A 1 ATOM 573 C CD . ARG A 0 72 . -0.610 -11.508 -2.402 1.00 97.87 72 A 1 ATOM 574 N NE . ARG A 0 72 . -1.279 -11.531 -3.715 1.00 97.87 72 A 1 ATOM 575 N NH1 . ARG A 0 72 . 0.099 -13.078 -4.695 1.00 97.87 72 A 1 ATOM 576 N NH2 . ARG A 0 72 . -1.611 -12.225 -5.855 1.00 97.87 72 A 1 ATOM 577 C CZ . ARG A 0 72 . -0.929 -12.276 -4.745 1.00 97.87 72 A 1 ATOM 578 N N . GLU A 0 73 . 0.304 -9.709 2.822 1.00 98.07 73 A 1 ATOM 579 C CA . GLU A 0 73 . 0.817 -10.260 4.080 1.00 98.07 73 A 1 ATOM 580 C C . GLU A 0 73 . 0.659 -9.293 5.259 1.00 98.07 73 A 1 ATOM 581 C CB . GLU A 0 73 . 2.294 -10.673 3.909 1.00 98.07 73 A 1 ATOM 582 O O . GLU A 0 73 . 0.526 -9.750 6.398 1.00 98.07 73 A 1 ATOM 583 C CG . GLU A 0 73 . 2.489 -11.830 2.913 1.00 98.07 73 A 1 ATOM 584 C CD . GLU A 0 73 . 3.958 -12.255 2.698 1.00 98.07 73 A 1 ATOM 585 O OE1 . GLU A 0 73 . 4.177 -13.132 1.837 1.00 98.07 73 A 1 ATOM 586 O OE2 . GLU A 0 73 . 4.904 -11.702 3.312 1.00 98.07 73 A 1 ATOM 587 N N . ALA A 0 74 . 0.655 -7.979 5.017 1.00 98.16 74 A 1 ATOM 588 C CA . ALA A 0 74 . 0.525 -7.002 6.088 1.00 98.16 74 A 1 ATOM 589 C C . ALA A 0 74 . -0.878 -7.020 6.706 1.00 98.16 74 A 1 ATOM 590 C CB . ALA A 0 74 . 0.901 -5.602 5.595 1.00 98.16 74 A 1 ATOM 591 O O . ALA A 0 74 . -1.880 -7.358 6.065 1.00 98.16 74 A 1 ATOM 592 N N . ARG A 0 75 . -0.963 -6.574 7.961 1.00 97.88 75 A 1 ATOM 593 C CA . ARG A 0 75 . -2.241 -6.241 8.598 1.00 97.88 75 A 1 ATOM 594 C C . ARG A 0 75 . -3.000 -5.221 7.745 1.00 97.88 75 A 1 ATOM 595 C CB . ARG A 0 75 . -1.997 -5.689 10.011 1.00 97.88 75 A 1 ATOM 596 O O . ARG A 0 75 . -2.415 -4.400 7.038 1.00 97.88 75 A 1 ATOM 597 C CG . ARG A 0 75 . -1.469 -6.721 11.018 1.00 97.88 75 A 1 ATOM 598 C CD . ARG A 0 75 . -2.529 -7.761 11.406 1.00 97.88 75 A 1 ATOM 599 N NE . ARG A 0 75 . -2.050 -8.603 12.517 1.00 97.88 75 A 1 ATOM 600 N NH1 . ARG A 0 75 . -3.811 -10.076 12.596 1.00 97.88 75 A 1 ATOM 601 N NH2 . ARG A 0 75 . -2.105 -10.303 14.022 1.00 97.88 75 A 1 ATOM 602 C CZ . ARG A 0 75 . -2.657 -9.653 13.037 1.00 97.88 75 A 1 ATOM 603 N N . PHE A 0 76 . -4.324 -5.264 7.835 1.00 98.09 76 A 1 ATOM 604 C CA . PHE A 0 76 . -5.179 -4.340 7.103 1.00 98.09 76 A 1 ATOM 605 C C . PHE A 0 76 . -4.991 -2.904 7.611 1.00 98.09 76 A 1 ATOM 606 C CB . PHE A 0 76 . -6.626 -4.813 7.237 1.00 98.09 76 A 1 ATOM 607 O O . PHE A 0 76 . -5.415 -2.574 8.720 1.00 98.09 76 A 1 ATOM 608 C CG . PHE A 0 76 . -7.604 -3.991 6.434 1.00 98.09 76 A 1 ATOM 609 C CD1 . PHE A 0 76 . -8.703 -3.388 7.064 1.00 98.09 76 A 1 ATOM 610 C CD2 . PHE A 0 76 . -7.454 -3.892 5.042 1.00 98.09 76 A 1 ATOM 611 C CE1 . PHE A 0 76 . -9.696 -2.755 6.301 1.00 98.09 76 A 1 ATOM 612 C CE2 . PHE A 0 76 . -8.430 -3.234 4.280 1.00 98.09 76 A 1 ATOM 613 C CZ . PHE A 0 76 . -9.575 -2.719 4.904 1.00 98.09 76 A 1 ATOM 614 N N . LEU A 0 77 . -4.366 -2.047 6.798 1.00 97.88 77 A 1 ATOM 615 C CA . LEU A 0 77 . -3.862 -0.741 7.239 1.00 97.88 77 A 1 ATOM 616 C C . LEU A 0 77 . -4.976 0.240 7.613 1.00 97.88 77 A 1 ATOM 617 C CB . LEU A 0 77 . -2.938 -0.145 6.162 1.00 97.88 77 A 1 ATOM 618 O O . LEU A 0 77 . -4.784 1.087 8.478 1.00 97.88 77 A 1 ATOM 619 C CG . LEU A 0 77 . -1.691 -0.988 5.830 1.00 97.88 77 A 1 ATOM 620 C CD1 . LEU A 0 77 . -0.825 -0.247 4.811 1.00 97.88 77 A 1 ATOM 621 C CD2 . LEU A 0 77 . -0.840 -1.294 7.060 1.00 97.88 77 A 1 ATOM 622 N N . MET A 0 78 . -6.175 0.092 7.037 1.00 96.61 78 A 1 ATOM 623 C CA . MET A 0 78 . -7.328 0.914 7.433 1.00 96.61 78 A 1 ATOM 624 C C . MET A 0 78 . -7.794 0.672 8.876 1.00 96.61 78 A 1 ATOM 625 C CB . MET A 0 78 . -8.497 0.749 6.454 1.00 96.61 78 A 1 ATOM 626 O O . MET A 0 78 . -8.480 1.533 9.426 1.00 96.61 78 A 1 ATOM 627 C CG . MET A 0 78 . -8.231 1.414 5.099 1.00 96.61 78 A 1 ATOM 628 S SD . MET A 0 78 . -9.720 1.824 4.138 1.00 96.61 78 A 1 ATOM 629 C CE . MET A 0 78 . -10.439 0.187 3.915 1.00 96.61 78 A 1 ATOM 630 N N . CYS A 0 79 . -7.423 -0.457 9.486 1.00 96.75 79 A 1 ATOM 631 C CA . CYS A 0 79 . -7.734 -0.785 10.880 1.00 96.75 79 A 1 ATOM 632 C C . CYS A 0 79 . -6.613 -0.428 11.865 1.00 96.75 79 A 1 ATOM 633 C CB . CYS A 0 79 . -8.094 -2.274 10.975 1.00 96.75 79 A 1 ATOM 634 O O . CYS A 0 79 . -6.766 -0.681 13.056 1.00 96.75 79 A 1 ATOM 635 S SG . CYS A 0 79 . -9.785 -2.533 10.373 1.00 96.75 79 A 1 ATOM 636 N N . VAL A 0 80 . -5.499 0.134 11.396 1.00 97.32 80 A 1 ATOM 637 C CA . VAL A 0 80 . -4.415 0.586 12.274 1.00 97.32 80 A 1 ATOM 638 C C . VAL A 0 80 . -4.803 1.932 12.874 1.00 97.32 80 A 1 ATOM 639 C CB . VAL A 0 80 . -3.083 0.661 11.507 1.00 97.32 80 A 1 ATOM 640 O O . VAL A 0 80 . -5.180 2.843 12.136 1.00 97.32 80 A 1 ATOM 641 C CG1 . VAL A 0 80 . -1.933 1.164 12.387 1.00 97.32 80 A 1 ATOM 642 C CG2 . VAL A 0 80 . -2.705 -0.732 10.985 1.00 97.32 80 A 1 ATOM 643 N N . TYR A 0 81 . -4.710 2.061 14.196 1.00 96.73 81 A 1 ATOM 644 C CA . TYR A 0 81 . -4.873 3.322 14.921 1.00 96.73 81 A 1 ATOM 645 C C . TYR A 0 81 . -3.523 4.035 14.987 1.00 96.73 81 A 1 ATOM 646 C CB . TYR A 0 81 . -5.465 3.054 16.311 1.00 96.73 81 A 1 ATOM 647 O O . TYR A 0 81 . -2.818 3.970 15.986 1.00 96.73 81 A 1 ATOM 648 C CG . TYR A 0 81 . -6.926 2.655 16.275 1.00 96.73 81 A 1 ATOM 649 C CD1 . TYR A 0 81 . -7.919 3.652 16.295 1.00 96.73 81 A 1 ATOM 650 C CD2 . TYR A 0 81 . -7.292 1.296 16.226 1.00 96.73 81 A 1 ATOM 651 C CE1 . TYR A 0 81 . -9.280 3.295 16.287 1.00 96.73 81 A 1 ATOM 652 C CE2 . TYR A 0 81 . -8.652 0.932 16.206 1.00 96.73 81 A 1 ATOM 653 O OH . TYR A 0 81 . -10.961 1.587 16.252 1.00 96.73 81 A 1 ATOM 654 C CZ . TYR A 0 81 . -9.646 1.932 16.248 1.00 96.73 81 A 1 ATOM 655 N N . PHE A 0 82 . -3.134 4.679 13.886 1.00 97.00 82 A 1 ATOM 656 C CA . PHE A 0 82 . -1.849 5.380 13.769 1.00 97.00 82 A 1 ATOM 657 C C . PHE A 0 82 . -1.594 6.382 14.899 1.00 97.00 82 A 1 ATOM 658 C CB . PHE A 0 82 . -1.824 6.122 12.434 1.00 97.00 82 A 1 ATOM 659 O O . PHE A 0 82 . -0.458 6.575 15.315 1.00 97.00 82 A 1 ATOM 660 C CG . PHE A 0 82 . -1.616 5.220 11.240 1.00 97.00 82 A 1 ATOM 661 C CD1 . PHE A 0 82 . -0.305 4.901 10.848 1.00 97.00 82 A 1 ATOM 662 C CD2 . PHE A 0 82 . -2.711 4.706 10.522 1.00 97.00 82 A 1 ATOM 663 C CE1 . PHE A 0 82 . -0.086 4.081 9.731 1.00 97.00 82 A 1 ATOM 664 C CE2 . PHE A 0 82 . -2.491 3.869 9.413 1.00 97.00 82 A 1 ATOM 665 C CZ . PHE A 0 82 . -1.178 3.561 9.014 1.00 97.00 82 A 1 ATOM 666 N N . GLU A 0 83 . -2.663 6.973 15.420 1.00 96.10 83 A 1 ATOM 667 C CA . GLU A 0 83 . -2.651 7.937 16.509 1.00 96.10 83 A 1 ATOM 668 C C . GLU A 0 83 . -2.066 7.374 17.819 1.00 96.10 83 A 1 ATOM 669 C CB . GLU A 0 83 . -4.090 8.454 16.698 1.00 96.10 83 A 1 ATOM 670 O O . GLU A 0 83 . -1.582 8.144 18.647 1.00 96.10 83 A 1 ATOM 671 C CG . GLU A 0 83 . -4.715 9.117 15.443 1.00 96.10 83 A 1 ATOM 672 C CD . GLU A 0 83 . -5.391 8.179 14.399 1.00 96.10 83 A 1 ATOM 673 O OE1 . GLU A 0 83 . -6.085 8.682 13.483 1.00 96.10 83 A 1 ATOM 674 O OE2 . GLU A 0 83 . -5.249 6.932 14.432 1.00 96.10 83 A 1 ATOM 675 N N . GLU A 0 84 . -2.067 6.049 17.996 1.00 97.12 84 A 1 ATOM 676 C CA . GLU A 0 84 . -1.472 5.355 19.147 1.00 97.12 84 A 1 ATOM 677 C C . GLU A 0 84 . 0.014 5.012 18.942 1.00 97.12 84 A 1 ATOM 678 C CB . GLU A 0 84 . -2.288 4.089 19.475 1.00 97.12 84 A 1 ATOM 679 O O . GLU A 0 84 . 0.669 4.570 19.880 1.00 97.12 84 A 1 ATOM 680 C CG . GLU A 0 84 . -3.742 4.414 19.864 1.00 97.12 84 A 1 ATOM 681 C CD . GLU A 0 84 . -4.578 3.193 20.291 1.00 97.12 84 A 1 ATOM 682 O OE1 . GLU A 0 84 . -5.753 3.418 20.668 1.00 97.12 84 A 1 ATOM 683 O OE2 . GLU A 0 84 . -4.078 2.045 20.244 1.00 97.12 84 A 1 ATOM 684 N N . HIS A 0 85 . 0.556 5.242 17.741 1.00 97.06 85 A 1 ATOM 685 C CA . HIS A 0 85 . 1.886 4.783 17.328 1.00 97.06 85 A 1 ATOM 686 C C . HIS A 0 85 . 2.869 5.922 17.003 1.00 97.06 85 A 1 ATOM 687 C CB . HIS A 0 85 . 1.734 3.811 16.149 1.00 97.06 85 A 1 ATOM 688 O O . HIS A 0 85 . 3.904 5.683 16.384 1.00 97.06 85 A 1 ATOM 689 C CG . HIS A 0 85 . 0.960 2.563 16.479 1.00 97.06 85 A 1 ATOM 690 C CD2 . HIS A 0 85 . -0.223 2.144 15.937 1.00 97.06 85 A 1 ATOM 691 N ND1 . HIS A 0 85 . 1.360 1.592 17.359 1.00 97.06 85 A 1 ATOM 692 C CE1 . HIS A 0 85 . 0.442 0.616 17.356 1.00 97.06 85 A 1 ATOM 693 N NE2 . HIS A 0 85 . -0.538 0.890 16.476 1.00 97.06 85 A 1 ATOM 694 N N . TRP A 0 86 . 2.578 7.171 17.384 1.00 96.57 86 A 1 ATOM 695 C CA . TRP A 0 86 . 3.449 8.313 17.052 1.00 96.57 86 A 1 ATOM 696 C C . TRP A 0 86 . 4.828 8.282 17.697 1.00 96.57 86 A 1 ATOM 697 C CB . TRP A 0 86 . 2.751 9.632 17.385 1.00 96.57 86 A 1 ATOM 698 O O . TRP A 0 86 . 5.786 8.756 17.092 1.00 96.57 86 A 1 ATOM 699 C CG . TRP A 0 86 . 1.519 9.945 16.597 1.00 96.57 86 A 1 ATOM 700 C CD1 . TRP A 0 86 . 0.467 10.642 17.078 1.00 96.57 86 A 1 ATOM 701 C CD2 . TRP A 0 86 . 1.189 9.613 15.208 1.00 96.57 86 A 1 ATOM 702 C CE2 . TRP A 0 86 . -0.098 10.165 14.927 1.00 96.57 86 A 1 ATOM 703 C CE3 . TRP A 0 86 . 1.823 8.918 14.147 1.00 96.57 86 A 1 ATOM 704 N NE1 . TRP A 0 86 . -0.485 10.788 16.093 1.00 96.57 86 A 1 ATOM 705 C CH2 . TRP A 0 86 . -0.056 9.339 12.665 1.00 96.57 86 A 1 ATOM 706 C CZ2 . TRP A 0 86 . -0.723 10.030 13.683 1.00 96.57 86 A 1 ATOM 707 C CZ3 . TRP A 0 86 . 1.209 8.779 12.893 1.00 96.57 86 A 1 ATOM 708 N N . GLU A 0 87 . 4.924 7.715 18.895 1.00 97.34 87 A 1 ATOM 709 C CA . GLU A 0 87 . 6.183 7.605 19.638 1.00 97.34 87 A 1 ATOM 710 C C . GLU A 0 87 . 6.878 6.253 19.406 1.00 97.34 87 A 1 ATOM 711 C CB . GLU A 0 87 . 5.904 7.842 21.130 1.00 97.34 87 A 1 ATOM 712 O O . GLU A 0 87 . 8.002 6.040 19.868 1.00 97.34 87 A 1 ATOM 713 C CG . GLU A 0 87 . 5.226 9.191 21.443 1.00 97.34 87 A 1 ATOM 714 C CD . GLU A 0 87 . 6.042 10.431 21.034 1.00 97.34 87 A 1 ATOM 715 O OE1 . GLU A 0 87 . 5.410 11.501 20.865 1.00 97.34 87 A 1 ATOM 716 O OE2 . GLU A 0 87 . 7.289 10.337 20.960 1.00 97.34 87 A 1 ATOM 717 N N . ASP A 0 88 . 6.221 5.333 18.692 1.00 97.12 88 A 1 ATOM 718 C CA . ASP A 0 88 . 6.761 4.008 18.425 1.00 97.12 88 A 1 ATOM 719 C C . ASP A 0 88 . 7.903 4.081 17.411 1.00 97.12 88 A 1 ATOM 720 C CB . ASP A 0 88 . 5.676 3.031 17.939 1.00 97.12 88 A 1 ATOM 721 O O . ASP A 0 88 . 7.916 4.881 16.469 1.00 97.12 88 A 1 ATOM 722 C CG . ASP A 0 88 . 4.705 2.561 19.027 1.00 97.12 88 A 1 ATOM 723 O OD1 . ASP A 0 88 . 4.932 2.859 20.219 1.00 97.12 88 A 1 ATOM 724 O OD2 . ASP A 0 88 . 3.755 1.836 18.648 1.00 97.12 88 A 1 ATOM 725 N N . ASN A 0 89 . 8.870 3.175 17.557 1.00 97.43 89 A 1 ATOM 726 C CA . ASN A 0 89 . 9.874 3.000 16.525 1.00 97.43 89 A 1 ATOM 727 C C . ASN A 0 89 . 9.211 2.495 15.232 1.00 97.43 89 A 1 ATOM 728 C CB . ASN A 0 89 . 10.970 2.055 17.020 1.00 97.43 89 A 1 ATOM 729 O O . ASN A 0 89 . 8.476 1.507 15.228 1.00 97.43 89 A 1 ATOM 730 C CG . ASN A 0 89 . 12.084 1.951 16.003 1.00 97.43 89 A 1 ATOM 731 N ND2 . ASN A 0 89 . 13.180 2.638 16.216 1.00 97.43 89 A 1 ATOM 732 O OD1 . ASN A 0 89 . 11.962 1.347 14.952 1.00 97.43 89 A 1 ATOM 733 N N . LEU A 0 90 . 9.519 3.149 14.111 1.00 96.16 90 A 1 ATOM 734 C CA . LEU A 0 90 . 8.899 2.836 12.826 1.00 96.16 90 A 1 ATOM 735 C C . LEU A 0 90 . 9.192 1.406 12.337 1.00 96.16 90 A 1 ATOM 736 C CB . LEU A 0 90 . 9.358 3.895 11.810 1.00 96.16 90 A 1 ATOM 737 O O . LEU A 0 90 . 8.326 0.794 11.715 1.00 96.16 90 A 1 ATOM 738 C CG . LEU A 0 90 . 8.661 3.814 10.440 1.00 96.16 90 A 1 ATOM 739 C CD1 . LEU A 0 90 . 7.144 3.983 10.538 1.00 96.16 90 A 1 ATOM 740 C CD2 . LEU A 0 90 . 9.205 4.928 9.541 1.00 96.16 90 A 1 ATOM 741 N N . GLU A 0 91 . 10.379 0.856 12.607 1.00 96.47 91 A 1 ATOM 742 C CA . GLU A 0 91 . 10.706 -0.531 12.243 1.00 96.47 91 A 1 ATOM 743 C C . GLU A 0 91 . 9.960 -1.538 13.126 1.00 96.47 91 A 1 ATOM 744 C CB . GLU A 0 91 . 12.220 -0.798 12.314 1.00 96.47 91 A 1 ATOM 745 O O . GLU A 0 91 . 9.478 -2.554 12.622 1.00 96.47 91 A 1 ATOM 746 C CG . GLU A 0 91 . 13.077 0.054 11.365 1.00 96.47 91 A 1 ATOM 747 C CD . GLU A 0 91 . 12.729 -0.096 9.874 1.00 96.47 91 A 1 ATOM 748 O OE1 . GLU A 0 91 . 13.013 0.859 9.117 1.00 96.47 91 A 1 ATOM 749 O OE2 . GLU A 0 91 . 12.143 -1.114 9.441 1.00 96.47 91 A 1 ATOM 750 N N . ASP A 0 92 . 9.784 -1.237 14.415 1.00 97.18 92 A 1 ATOM 751 C CA . ASP A 0 92 . 8.995 -2.077 15.324 1.00 97.18 92 A 1 ATOM 752 C C . ASP A 0 92 . 7.513 -2.078 14.920 1.00 97.18 92 A 1 ATOM 753 C CB . ASP A 0 92 . 9.164 -1.617 16.782 1.00 97.18 92 A 1 ATOM 754 O O . ASP A 0 92 . 6.876 -3.135 14.883 1.00 97.18 92 A 1 ATOM 755 C CG . ASP A 0 92 . 10.578 -1.826 17.341 1.00 97.18 92 A 1 ATOM 756 O OD1 . ASP A 0 92 . 11.294 -2.720 16.834 1.00 97.18 92 A 1 ATOM 757 O OD2 . ASP A 0 92 . 10.932 -1.105 18.300 1.00 97.18 92 A 1 ATOM 758 N N . LEU A 0 93 . 6.977 -0.919 14.522 1.00 97.55 93 A 1 ATOM 759 C CA . LEU A 0 93 . 5.625 -0.806 13.973 1.00 97.55 93 A 1 ATOM 760 C C . LEU A 0 93 . 5.478 -1.587 12.660 1.00 97.55 93 A 1 ATOM 761 C CB . LEU A 0 93 . 5.267 0.678 13.794 1.00 97.55 93 A 1 ATOM 762 O O . LEU A 0 93 . 4.505 -2.318 12.481 1.00 97.55 93 A 1 ATOM 763 C CG . LEU A 0 93 . 3.840 0.907 13.257 1.00 97.55 93 A 1 ATOM 764 C CD1 . LEU A 0 93 . 2.770 0.362 14.202 1.00 97.55 93 A 1 ATOM 765 C CD2 . LEU A 0 93 . 3.611 2.401 13.037 1.00 97.55 93 A 1 ATOM 766 N N . ARG A 0 94 . 6.444 -1.494 11.737 1.00 98.03 94 A 1 ATOM 767 C CA . ARG A 0 94 . 6.435 -2.313 10.511 1.00 98.03 94 A 1 ATOM 768 C C . ARG A 0 94 . 6.421 -3.800 10.840 1.00 98.03 94 A 1 ATOM 769 C CB . ARG A 0 94 . 7.651 -1.995 9.637 1.00 98.03 94 A 1 ATOM 770 O O . ARG A 0 94 . 5.598 -4.533 10.293 1.00 98.03 94 A 1 ATOM 771 C CG . ARG A 0 94 . 7.476 -0.692 8.861 1.00 98.03 94 A 1 ATOM 772 C CD . ARG A 0 94 . 8.763 -0.422 8.085 1.00 98.03 94 A 1 ATOM 773 N NE . ARG A 0 94 . 8.681 0.880 7.414 1.00 98.03 94 A 1 ATOM 774 N NH1 . ARG A 0 94 . 10.796 1.621 7.853 1.00 98.03 94 A 1 ATOM 775 N NH2 . ARG A 0 94 . 9.329 2.982 6.872 1.00 98.03 94 A 1 ATOM 776 C CZ . ARG A 0 94 . 9.602 1.816 7.385 1.00 98.03 94 A 1 ATOM 777 N N . SER A 0 95 . 7.275 -4.228 11.766 1.00 97.34 95 A 1 ATOM 778 C CA . SER A 0 95 . 7.356 -5.616 12.219 1.00 97.34 95 A 1 ATOM 779 C C . SER A 0 95 . 6.027 -6.101 12.810 1.00 97.34 95 A 1 ATOM 780 C CB . SER A 0 95 . 8.492 -5.732 13.237 1.00 97.34 95 A 1 ATOM 781 O O . SER A 0 95 . 5.517 -7.150 12.408 1.00 97.34 95 A 1 ATOM 782 O OG . SER A 0 95 . 8.702 -7.080 13.606 1.00 97.34 95 A 1 ATOM 783 N N . SER A 0 96 . 5.394 -5.308 13.684 1.00 97.33 96 A 1 ATOM 784 C CA . SER A 0 96 . 4.107 -5.659 14.307 1.00 97.33 96 A 1 ATOM 785 C C . SER A 0 96 . 2.955 -5.757 13.295 1.00 97.33 96 A 1 ATOM 786 C CB . SER A 0 96 . 3.773 -4.665 15.426 1.00 97.33 96 A 1 ATOM 787 O O . SER A 0 96 . 2.036 -6.569 13.457 1.00 97.33 96 A 1 ATOM 788 O OG . SER A 0 96 . 3.238 -3.465 14.913 1.00 97.33 96 A 1 ATOM 789 N N . LEU A 0 97 . 3.033 -4.985 12.207 1.00 98.17 97 A 1 ATOM 790 C CA . LEU A 0 97 . 2.078 -4.995 11.101 1.00 98.17 97 A 1 ATOM 791 C C . LEU A 0 97 . 2.419 -6.007 9.997 1.00 98.17 97 A 1 ATOM 792 C CB . LEU A 0 97 . 1.925 -3.565 10.556 1.00 98.17 97 A 1 ATOM 793 O O . LEU A 0 97 . 1.674 -6.087 9.018 1.00 98.17 97 A 1 ATOM 794 C CG . LEU A 0 97 . 1.365 -2.553 11.576 1.00 98.17 97 A 1 ATOM 795 C CD1 . LEU A 0 97 . 1.316 -1.173 10.926 1.00 98.17 97 A 1 ATOM 796 C CD2 . LEU A 0 97 . -0.046 -2.907 12.049 1.00 98.17 97 A 1 ATOM 797 N N . ASN A 0 98 . 3.480 -6.805 10.156 1.00 98.10 98 A 1 ATOM 798 C CA . ASN A 0 98 . 3.988 -7.747 9.153 1.00 98.10 98 A 1 ATOM 799 C C . ASN A 0 98 . 4.354 -7.070 7.813 1.00 98.10 98 A 1 ATOM 800 C CB . ASN A 0 98 . 3.027 -8.944 9.034 1.00 98.10 98 A 1 ATOM 801 O O . ASN A 0 98 . 4.089 -7.590 6.728 1.00 98.10 98 A 1 ATOM 802 C CG . ASN A 0 98 . 3.646 -10.114 8.295 1.00 98.10 98 A 1 ATOM 803 N ND2 . ASN A 0 98 . 2.878 -10.822 7.506 1.00 98.10 98 A 1 ATOM 804 O OD1 . ASN A 0 98 . 4.810 -10.443 8.443 1.00 98.10 98 A 1 ATOM 805 N N . ILE A 0 99 . 4.945 -5.879 7.897 1.00 98.01 99 A 1 ATOM 806 C CA . ILE A 0 99 . 5.472 -5.107 6.771 1.00 98.01 99 A 1 ATOM 807 C C . ILE A 0 99 . 6.981 -5.325 6.725 1.00 98.01 99 A 1 ATOM 808 C CB . ILE A 0 99 . 5.104 -3.615 6.905 1.00 98.01 99 A 1 ATOM 809 O O . ILE A 0 99 . 7.687 -5.120 7.710 1.00 98.01 99 A 1 ATOM 810 C CG1 . ILE A 0 99 . 3.572 -3.448 6.954 1.00 98.01 99 A 1 ATOM 811 C CG2 . ILE A 0 99 . 5.700 -2.787 5.751 1.00 98.01 99 A 1 ATOM 812 C CD1 . ILE A 0 99 . 3.128 -2.025 7.279 1.00 98.01 99 A 1 ATOM 813 N N . GLN A 0 100 . 7.485 -5.747 5.570 1.00 93.01 100 A 1 ATOM 814 C CA . GLN A 0 100 . 8.924 -5.887 5.367 1.00 93.01 100 A 1 ATOM 815 C C . GLN A 0 100 . 9.611 -4.535 5.257 1.00 93.01 100 A 1 ATOM 816 C CB . GLN A 0 100 . 9.183 -6.712 4.111 1.00 93.01 100 A 1 ATOM 817 O O . GLN A 0 100 . 8.989 -3.530 4.917 1.00 93.01 100 A 1 ATOM 818 C CG . GLN A 0 100 . 9.016 -8.191 4.440 1.00 93.01 100 A 1 ATOM 819 C CD . GLN A 0 100 . 8.572 -8.933 3.210 1.00 93.01 100 A 1 ATOM 820 N NE2 . GLN A 0 100 . 7.369 -9.450 3.258 1.00 93.01 100 A 1 ATOM 821 O OE1 . GLN A 0 100 . 9.274 -9.034 2.215 1.00 93.01 100 A 1 ATOM 822 N N . SER A 0 101 . 10.923 -4.530 5.476 1.00 93.24 101 A 1 ATOM 823 C CA . SER A 0 101 . 11.724 -3.337 5.241 1.00 93.24 101 A 1 ATOM 824 C C . SER A 0 101 . 11.538 -2.848 3.797 1.00 93.24 101 A 1 ATOM 825 C CB . SER A 0 101 . 13.199 -3.604 5.522 1.00 93.24 101 A 1 ATOM 826 O O . SER A 0 101 . 11.618 -3.652 2.859 1.00 93.24 101 A 1 ATOM 827 O OG . SER A 0 101 . 13.355 -4.098 6.838 1.00 93.24 101 A 1 ATOM 828 N N . PRO A 0 102 . 11.273 -1.546 3.603 1.00 94.13 102 A 1 ATOM 829 C CA . PRO A 0 102 . 11.006 -1.000 2.285 1.00 94.13 102 A 1 ATOM 830 C C . PRO A 0 102 . 12.234 -1.111 1.370 1.00 94.13 102 A 1 ATOM 831 C CB . PRO A 0 102 . 10.568 0.443 2.531 1.00 94.13 102 A 1 ATOM 832 O O . PRO A 0 102 . 13.374 -1.068 1.848 1.00 94.13 102 A 1 ATOM 833 C CG . PRO A 0 102 . 11.237 0.811 3.852 1.00 94.13 102 A 1 ATOM 834 C CD . PRO A 0 102 . 11.198 -0.506 4.618 1.00 94.13 102 A 1 ATOM 835 N N . PRO A 0 103 . 12.033 -1.240 0.045 1.00 91.44 103 A 1 ATOM 836 C CA . PRO A 0 103 . 13.136 -1.239 -0.906 1.00 91.44 103 A 1 ATOM 837 C C . PRO A 0 103 . 13.914 0.085 -0.823 1.00 91.44 103 A 1 ATOM 838 C CB . PRO A 0 103 . 12.496 -1.465 -2.279 1.00 91.44 103 A 1 ATOM 839 O O . PRO A 0 103 . 13.334 1.125 -0.501 1.00 91.44 103 A 1 ATOM 840 C CG . PRO A 0 103 . 11.082 -0.914 -2.102 1.00 91.44 103 A 1 ATOM 841 C CD . PRO A 0 103 . 10.757 -1.257 -0.652 1.00 91.44 103 A 1 ATOM 842 N N . PRO A 0 104 . 15.227 0.076 -1.122 1.00 81.48 104 A 1 ATOM 843 C CA . PRO A 0 104 . 16.045 1.273 -1.012 1.00 81.48 104 A 1 ATOM 844 C C . PRO A 0 104 . 15.517 2.380 -1.933 1.00 81.48 104 A 1 ATOM 845 C CB . PRO A 0 104 . 17.469 0.847 -1.380 1.00 81.48 104 A 1 ATOM 846 O O . PRO A 0 104 . 15.092 2.086 -3.059 1.00 81.48 104 A 1 ATOM 847 C CG . PRO A 0 104 . 17.249 -0.380 -2.265 1.00 81.48 104 A 1 ATOM 848 C CD . PRO A 0 104 . 16.003 -1.026 -1.660 1.00 81.48 104 A 1 ATOM 849 N N . PRO A 0 105 . 15.585 3.650 -1.495 1.00 71.74 105 A 1 ATOM 850 C CA . PRO A 0 105 . 15.129 4.768 -2.301 1.00 71.74 105 A 1 ATOM 851 C C . PRO A 0 105 . 15.897 4.830 -3.622 1.00 71.74 105 A 1 ATOM 852 C CB . PRO A 0 105 . 15.326 6.020 -1.439 1.00 71.74 105 A 1 ATOM 853 O O . PRO A 0 105 . 17.075 4.462 -3.706 1.00 71.74 105 A 1 ATOM 854 C CG . PRO A 0 105 . 16.417 5.614 -0.448 1.00 71.74 105 A 1 ATOM 855 C CD . PRO A 0 105 . 16.168 4.121 -0.248 1.00 71.74 105 A 1 ATOM 856 N N . ARG A 0 106 . 15.221 5.327 -4.664 1.00 67.10 106 A 1 ATOM 857 C CA . ARG A 0 106 . 15.827 5.593 -5.971 1.00 67.10 106 A 1 ATOM 858 C C . ARG A 0 106 . 17.096 6.428 -5.774 1.00 67.10 106 A 1 ATOM 859 C CB . ARG A 0 106 . 14.797 6.320 -6.857 1.00 67.10 106 A 1 ATOM 860 O O . ARG A 0 106 . 17.014 7.573 -5.336 1.00 67.10 106 A 1 ATOM 861 C CG . ARG A 0 106 . 15.343 6.633 -8.257 1.00 67.10 106 A 1 ATOM 862 C CD . ARG A 0 106 . 14.323 7.409 -9.096 1.00 67.10 106 A 1 ATOM 863 N NE . ARG A 0 106 . 14.885 7.694 -10.432 1.00 67.10 106 A 1 ATOM 864 N NH1 . ARG A 0 106 . 14.367 9.934 -10.573 1.00 67.10 106 A 1 ATOM 865 N NH2 . ARG A 0 106 . 15.647 8.990 -12.131 1.00 67.10 106 A 1 ATOM 866 C CZ . ARG A 0 106 . 14.954 8.867 -11.035 1.00 67.10 106 A 1 ATOM 867 N N . LYS A 0 107 . 18.259 5.887 -6.150 1.00 59.27 107 A 1 ATOM 868 C CA . LYS A 0 107 . 19.456 6.712 -6.336 1.00 59.27 107 A 1 ATOM 869 C C . LYS A 0 107 . 19.188 7.624 -7.533 1.00 59.27 107 A 1 ATOM 870 C CB . LYS A 0 107 . 20.725 5.861 -6.506 1.00 59.27 107 A 1 ATOM 871 O O . LYS A 0 107 . 18.925 7.150 -8.639 1.00 59.27 107 A 1 ATOM 872 C CG . LYS A 0 107 . 21.100 5.145 -5.196 1.00 59.27 107 A 1 ATOM 873 C CD . LYS A 0 107 . 22.461 4.449 -5.316 1.00 59.27 107 A 1 ATOM 874 C CE . LYS A 0 107 . 22.815 3.750 -3.998 1.00 59.27 107 A 1 ATOM 875 N NZ . LYS A 0 107 . 24.172 3.151 -4.055 1.00 59.27 107 A 1 ATOM 876 N N . LEU A 0 108 . 19.121 8.926 -7.275 1.00 56.63 108 A 1 ATOM 877 C CA . LEU A 0 108 . 19.181 9.930 -8.325 1.00 56.63 108 A 1 ATOM 878 C C . LEU A 0 108 . 20.630 9.926 -8.814 1.00 56.63 108 A 1 ATOM 879 C CB . LEU A 0 108 . 18.754 11.307 -7.771 1.00 56.63 108 A 1 ATOM 880 O O . LEU A 0 108 . 21.480 10.545 -8.182 1.00 56.63 108 A 1 ATOM 881 C CG . LEU A 0 108 . 17.303 11.411 -7.269 1.00 56.63 108 A 1 ATOM 882 C CD1 . LEU A 0 108 . 17.073 12.766 -6.602 1.00 56.63 108 A 1 ATOM 883 C CD2 . LEU A 0 108 . 16.293 11.267 -8.407 1.00 56.63 108 A 1 ATOM 884 N N . ASP A 0 109 . 20.913 9.145 -9.855 1.00 52.11 109 A 1 ATOM 885 C CA . ASP A 0 109 . 22.115 9.373 -10.661 1.00 52.11 109 A 1 ATOM 886 C C . ASP A 0 109 . 21.969 10.692 -11.429 1.00 52.11 109 A 1 ATOM 887 C CB . ASP A 0 109 . 22.381 8.215 -11.645 1.00 52.11 109 A 1 ATOM 888 O O . ASP A 0 109 . 20.872 10.898 -12.019 1.00 52.11 109 A 1 ATOM 889 C CG . ASP A 0 109 . 22.398 6.786 -11.076 1.00 52.11 109 A 1 ATOM 890 O OD1 . ASP A 0 109 . 22.786 6.557 -9.904 1.00 52.11 109 A 1 ATOM 891 O OD2 . ASP A 0 109 . 21.986 5.901 -11.866 1.00 52.11 109 A 1 ATOM 892 O OXT . ASP A 0 109 . 22.960 11.449 -11.437 1.00 52.11 109 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 94.30 # loop_ _atom_type.symbol C N O S #