data_5nir-assembly-2_atom_site # 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.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num _atom_site.pdbe_label_seq_id _atom_site.orig_label_asym_id _atom_site.orig_auth_asym_id ATOM 1 N N . GLU B 1 6 ? 7.210 36.349 12.954 1.0 61.13 ? 30 GLU B N 1 6 . B ATOM 2 C CA . GLU B 1 6 ? 6.836 35.704 11.696 1.0 60.7 ? 30 GLU B CA 1 6 . B ATOM 3 C C . GLU B 1 6 ? 7.659 34.430 11.442 1.0 63.07 ? 30 GLU B C 1 6 . B ATOM 4 O O . GLU B 1 6 ? 7.085 33.340 11.323 1.0 62.38 ? 30 GLU B O 1 6 . B ATOM 5 C CB . GLU B 1 6 ? 6.961 36.685 10.516 1.0 62.22 ? 30 GLU B CB 1 6 . B ATOM 6 N N . ALA B 1 7 ? 8.998 34.571 11.375 1.0 58.04 ? 31 ALA B N 1 7 . B ATOM 7 C CA . ALA B 1 7 ? 9.930 33.471 11.126 1.0 57.26 ? 31 ALA B CA 1 7 . B ATOM 8 C C . ALA B 1 7 ? 10.123 32.593 12.370 1.0 56.86 ? 31 ALA B C 1 7 . B ATOM 9 O O . ALA B 1 7 ? 10.392 33.112 13.457 1.0 55.85 ? 31 ALA B O 1 7 . B ATOM 10 C CB . ALA B 1 7 ? 11.264 34.022 10.643 1.0 58.45 ? 31 ALA B CB 1 7 . B ATOM 11 N N . GLY B 1 8 ? 9.954 31.279 12.185 1.0 50.93 ? 32 GLY B N 1 8 . B ATOM 12 C CA . GLY B 1 8 ? 10.077 30.268 13.233 1.0 49.6 ? 32 GLY B CA 1 8 . B ATOM 13 C C . GLY B 1 8 ? 8.852 30.094 14.123 1.0 49.35 ? 32 GLY B C 1 8 . B ATOM 14 O O . GLY B 1 8 ? 8.913 29.361 15.125 1.0 48.04 ? 32 GLY B O 1 8 . B ATOM 15 N N . SER B 1 9 ? 7.733 30.770 13.764 1.0 41.26 ? 33 SER B N 1 9 . B ATOM 16 C CA . SER B 1 9 ? 6.470 30.752 14.512 1.0 38.58 ? 33 SER B CA 1 9 . B ATOM 17 C C . SER B 1 9 ? 5.718 29.401 14.446 1.0 38.32 ? 33 SER B C 1 9 . B ATOM 18 O O . SER B 1 9 ? 5.910 28.607 13.518 1.0 38.9 ? 33 SER B O 1 9 . B ATOM 19 C CB . SER B 1 9 ? 5.571 31.919 14.093 1.0 40.8 ? 33 SER B CB 1 9 . B ATOM 20 O OG . SER B 1 9 ? 5.027 31.731 12.799 1.0 45.78 ? 33 SER B OG 1 9 . B ATOM 21 N N . CYS B 1 10 ? 4.874 29.152 15.465 1.0 31.45 ? 34 CYS B N 1 10 . B ATOM 22 C CA . CYS B 1 10 ? 4.071 27.944 15.685 1.0 28.62 ? 34 CYS B CA 1 10 . B ATOM 23 C C . CYS B 1 10 ? 2.618 28.241 15.614 1.0 30.56 ? 34 CYS B C 1 10 . B ATOM 24 O O . CYS B 1 10 ? 2.225 29.374 15.877 1.0 28.94 ? 34 CYS B O 1 10 . B ATOM 25 C CB . CYS B 1 10 ? 4.401 27.351 17.055 1.0 28.37 ? 34 CYS B CB 1 10 . B ATOM 26 S SG . CYS B 1 10 ? 6.123 26.831 17.237 1.0 31.49 ? 34 CYS B SG 1 10 . B ATOM 27 N N . VAL B 1 11 ? 1.799 27.186 15.465 1.0 27.05 ? 35 VAL B N 1 11 . B ATOM 28 C CA . VAL B 1 11 ? 0.336 27.282 15.478 1.0 28.35 ? 35 VAL B CA 1 11 . B ATOM 29 C C . VAL B 1 11 ? -0.291 26.269 16.431 1.0 32.2 ? 35 VAL B C 1 11 . B ATOM 30 O O . VAL B 1 11 ? 0.007 25.077 16.381 1.0 31.63 ? 35 VAL B O 1 11 . B ATOM 31 C CB . VAL B 1 11 ? -0.298 27.228 14.060 1.0 33.66 ? 35 VAL B CB 1 11 . B ATOM 32 C CG1 . VAL B 1 11 ? -1.826 27.312 14.121 1.0 33.79 ? 35 VAL B CG1 1 11 . B ATOM 33 C CG2 . VAL B 1 11 ? 0.227 28.366 13.211 1.0 34.54 ? 35 VAL B CG2 1 11 . B ATOM 34 N N . GLN B 1 12 ? -1.161 26.758 17.295 1.0 25.74 ? 36 GLN B N 1 12 . B ATOM 35 C CA . GLN B 1 12 ? -1.904 25.911 18.215 1.0 26.32 ? 36 GLN B CA 1 12 . B ATOM 36 C C . GLN B 1 12 ? -3.303 26.445 18.333 1.0 33.06 ? 36 GLN B C 1 12 . B ATOM 37 O O . GLN B 1 12 ? -3.514 27.582 18.770 1.0 31.85 ? 36 GLN B O 1 12 . B ATOM 38 C CB . GLN B 1 12 ? -1.219 25.848 19.592 1.0 25.85 ? 36 GLN B CB 1 12 . B ATOM 39 C CG . GLN B 1 12 ? -1.981 24.996 20.612 1.0 32.38 ? 36 GLN B CG 1 12 . B ATOM 40 C CD . GLN B 1 12 ? -1.359 25.089 21.982 1.0 32.8 ? 36 GLN B CD 1 12 . B ATOM 41 O OE1 . GLN B 1 12 ? -0.647 24.181 22.443 1.0 35.4 ? 36 GLN B OE1 1 12 . B ATOM 42 N NE2 . GLN B 1 12 ? -1.660 26.152 22.684 1.0 21.99 ? 36 GLN B NE2 1 12 . B ATOM 43 N N . ASP B 1 13 ? -4.273 25.594 17.987 1.0 33.14 ? 37 ASP B N 1 13 . B ATOM 44 C CA . ASP B 1 13 ? -5.695 25.878 18.077 1.0 34.52 ? 37 ASP B CA 1 13 . B ATOM 45 C C . ASP B 1 13 ? -6.071 27.235 17.439 1.0 37.28 ? 37 ASP B C 1 13 . B ATOM 46 O O . ASP B 1 13 ? -6.751 28.047 18.052 1.0 38.11 ? 37 ASP B O 1 13 . B ATOM 47 C CB . ASP B 1 13 ? -6.160 25.790 19.542 1.0 38.14 ? 37 ASP B CB 1 13 . B ATOM 48 C CG . ASP B 1 13 ? -7.665 25.851 19.727 1.0 58.03 ? 37 ASP B CG 1 13 . B ATOM 49 O OD1 . ASP B 1 13 ? -8.382 25.104 19.021 1.0 60.94 ? 37 ASP B OD1 1 13 . B ATOM 50 O OD2 . ASP B 1 13 ? -8.125 26.665 20.554 1.0 65.27 ? 37 ASP B OD2 1 13 . B ATOM 51 N N . GLY B 1 14 ? -5.543 27.484 16.255 1.0 35.56 ? 38 GLY B N 1 14 . B ATOM 52 C CA . GLY B 1 14 ? -5.840 28.705 15.512 1.0 34.88 ? 38 GLY B CA 1 14 . B ATOM 53 C C . GLY B 1 14 ? -5.094 29.937 15.980 1.0 37.49 ? 38 GLY B C 1 14 . B ATOM 54 O O . GLY B 1 14 ? -5.354 31.034 15.484 1.0 37.88 ? 38 GLY B O 1 14 . B ATOM 55 N N . GLN B 1 15 ? -4.174 29.781 16.929 1.0 30.07 ? 39 GLN B N 1 15 . B ATOM 56 C CA . GLN B 1 15 ? -3.399 30.935 17.396 1.0 28.23 ? 39 GLN B CA 1 15 . B ATOM 57 C C . GLN B 1 15 ? -1.974 30.734 16.945 1.0 28.83 ? 39 GLN B C 1 15 . B ATOM 58 O O . GLN B 1 15 ? -1.513 29.585 16.896 1.0 28.96 ? 39 GLN B O 1 15 . B ATOM 59 C CB . GLN B 1 15 ? -3.498 31.091 18.922 1.0 28.1 ? 39 GLN B CB 1 15 . B ATOM 60 C CG . GLN B 1 15 ? -4.921 31.350 19.426 1.0 35.31 ? 39 GLN B CG 1 15 . B ATOM 61 C CD . GLN B 1 15 ? -4.901 31.767 20.873 1.0 54.55 ? 39 GLN B CD 1 15 . B ATOM 62 O OE1 . GLN B 1 15 ? -5.558 31.160 21.718 1.0 58.3 ? 39 GLN B OE1 1 15 . B ATOM 63 N NE2 . GLN B 1 15 ? -4.075 32.753 21.213 1.0 39.81 ? 39 GLN B NE2 1 15 . B ATOM 64 N N . ARG B 1 16 ? -1.253 31.832 16.608 1.0 25.14 ? 40 ARG B N 1 16 . B ATOM 65 C CA . ARG B 1 16 ? 0.133 31.777 16.132 1.0 23.81 ? 40 ARG B CA 1 16 . B ATOM 66 C C . ARG B 1 16 ? 1.027 32.330 17.208 1.0 25.43 ? 40 ARG B C 1 16 . B ATOM 67 O O . ARG B 1 16 ? 0.768 33.399 17.730 1.0 23.67 ? 40 ARG B O 1 16 . B ATOM 68 C CB . ARG B 1 16 ? 0.343 32.593 14.833 1.0 24.32 ? 40 ARG B CB 1 16 . B ATOM 69 C CG . ARG B 1 16 ? 1.759 32.453 14.267 1.0 30.6 ? 40 ARG B CG 1 16 . B ATOM 70 C CD . ARG B 1 16 ? 1.872 32.966 12.823 1.0 50.81 ? 40 ARG B CD 1 16 . B ATOM 71 N NE . ARG B 1 16 ? 1.060 32.178 11.892 1.0 56.58 ? 40 ARG B NE 1 16 . B ATOM 72 C CZ . ARG B 1 16 ? 1.461 31.051 11.307 1.0 75.39 ? 40 ARG B CZ 1 16 . B ATOM 73 N NH1 . ARG B 1 16 ? 2.669 30.556 11.553 1.0 61.78 ? 40 ARG B NH1 1 16 . B ATOM 74 N NH2 . ARG B 1 16 ? 0.645 30.397 10.489 1.0 62.99 ? 40 ARG B NH2 1 16 . B ATOM 75 N N . TYR B 1 17 ? 2.087 31.611 17.520 1.0 23.8 ? 41 TYR B N 1 17 . B ATOM 76 C CA . TYR B 1 17 ? 2.994 31.993 18.605 1.0 22.5 ? 41 TYR B CA 1 17 . B ATOM 77 C C . TYR B 1 17 ? 4.373 32.201 18.005 1.0 25.41 ? 41 TYR B C 1 17 . B ATOM 78 O O . TYR B 1 17 ? 4.821 31.394 17.198 1.0 26.27 ? 41 TYR B O 1 17 . B ATOM 79 C CB . TYR B 1 17 ? 3.041 30.835 19.632 1.0 22.05 ? 41 TYR B CB 1 17 . B ATOM 80 C CG . TYR B 1 17 ? 1.735 30.640 20.359 1.0 23.03 ? 41 TYR B CG 1 17 . B ATOM 81 C CD1 . TYR B 1 17 ? 0.743 29.806 19.837 1.0 24.19 ? 41 TYR B CD1 1 17 . B ATOM 82 C CD2 . TYR B 1 17 ? 1.454 31.343 21.523 1.0 23.85 ? 41 TYR B CD2 1 17 . B ATOM 83 C CE1 . TYR B 1 17 ? -0.488 29.654 20.492 1.0 25.05 ? 41 TYR B CE1 1 17 . B ATOM 84 C CE2 . TYR B 1 17 ? 0.250 31.171 22.200 1.0 25.31 ? 41 TYR B CE2 1 17 . B ATOM 85 C CZ . TYR B 1 17 ? -0.726 30.344 21.667 1.0 29.21 ? 41 TYR B CZ 1 17 . B ATOM 86 O OH . TYR B 1 17 ? -1.919 30.208 22.337 1.0 32.93 ? 41 TYR B OH 1 17 . B ATOM 87 N N . ASN B 1 18 ? 5.031 33.262 18.410 1.0 24.66 ? 42 ASN B N 1 18 . B ATOM 88 C CA . ASN B 1 18 ? 6.369 33.563 17.915 1.0 26.44 ? 42 ASN B CA 1 18 . B ATOM 89 C C . ASN B 1 18 ? 7.350 32.506 18.428 1.0 32.79 ? 42 ASN B C 1 18 . B ATOM 90 O O . ASN B 1 18 ? 7.135 31.910 19.493 1.0 28.31 ? 42 ASN B O 1 18 . B ATOM 91 C CB . ASN B 1 18 ? 6.785 34.916 18.429 1.0 28.55 ? 42 ASN B CB 1 18 . B ATOM 92 C CG . ASN B 1 18 ? 6.929 35.933 17.339 1.0 59.17 ? 42 ASN B CG 1 18 . B ATOM 93 O OD1 . ASN B 1 18 ? 6.185 35.957 16.347 1.0 64.84 ? 42 ASN B OD1 1 18 . B ATOM 94 N ND2 . ASN B 1 18 ? 7.847 36.835 17.538 1.0 41.26 ? 42 ASN B ND2 1 18 . B ATOM 95 N N . ASP B 1 19 ? 8.425 32.277 17.674 1.0 33.35 ? 43 ASP B N 1 19 . B ATOM 96 C CA . ASP B 1 19 ? 9.485 31.339 18.074 1.0 33.34 ? 43 ASP B CA 1 19 . B ATOM 97 C C . ASP B 1 19 ? 9.946 31.662 19.489 1.0 34.58 ? 43 ASP B C 1 19 . B ATOM 98 O O . ASP B 1 19 ? 10.028 32.828 19.855 1.0 33.45 ? 43 ASP B O 1 19 . B ATOM 99 C CB . ASP B 1 19 ? 10.656 31.441 17.080 1.0 35.91 ? 43 ASP B CB 1 19 . B ATOM 100 C CG . ASP B 1 19 ? 11.732 30.368 17.205 1.0 48.0 ? 43 ASP B CG 1 19 . B ATOM 101 O OD1 . ASP B 1 19 ? 11.558 29.429 18.023 1.0 45.74 ? 43 ASP B OD1 1 19 . B ATOM 102 O OD2 . ASP B 1 19 ? 12.722 30.432 16.443 1.0 59.1 ? 43 ASP B OD2 1 19 . B ATOM 103 N N . LYS B 1 20 ? 10.143 30.610 20.321 1.0 31.83 ? 44 LYS B N 1 20 . B ATOM 104 C CA . LYS B 1 20 ? 10.578 30.660 21.722 1.0 30.88 ? 44 LYS B CA 1 20 . B ATOM 105 C C . LYS B 1 20 ? 9.551 31.303 22.686 1.0 29.81 ? 44 LYS B C 1 20 . B ATOM 106 O O . LYS B 1 20 ? 9.852 31.504 23.865 1.0 30.42 ? 44 LYS B O 1 20 . B ATOM 107 C CB . LYS B 1 20 ? 12.005 31.254 21.896 1.0 34.15 ? 44 LYS B CB 1 20 . B ATOM 108 C CG . LYS B 1 20 ? 13.089 30.390 21.210 1.0 51.65 ? 44 LYS B CG 1 20 . B ATOM 109 C CD . LYS B 1 20 ? 13.138 28.920 21.716 1.0 63.76 ? 44 LYS B CD 1 20 . B ATOM 110 C CE . LYS B 1 20 ? 14.187 28.068 21.035 1.0 73.94 ? 44 LYS B CE 1 20 . B ATOM 111 N NZ . LYS B 1 20 ? 13.837 27.754 19.625 1.0 79.59 ? 44 LYS B NZ 1 20 . B ATOM 112 N N . ASP B 1 21 ? 8.277 31.494 22.235 1.0 25.03 ? 45 ASP B N 1 21 . B ATOM 113 C CA . ASP B 1 21 ? 7.225 31.918 23.152 1.0 22.65 ? 45 ASP B CA 1 21 . B ATOM 114 C C . ASP B 1 21 ? 7.036 30.753 24.126 1.0 23.63 ? 45 ASP B C 1 21 . B ATOM 115 O O . ASP B 1 21 ? 7.168 29.613 23.692 1.0 23.59 ? 45 ASP B O 1 21 . B ATOM 116 C CB . ASP B 1 21 ? 5.855 32.029 22.436 1.0 21.63 ? 45 ASP B CB 1 21 . B ATOM 117 C CG . ASP B 1 21 ? 5.499 33.380 21.925 1.0 30.08 ? 45 ASP B CG 1 21 . B ATOM 118 O OD1 . ASP B 1 21 ? 6.397 34.277 21.938 1.0 25.99 ? 45 ASP B OD1 1 21 . B ATOM 119 O OD2 . ASP B 1 21 ? 4.310 33.556 21.467 1.0 26.95 ? 45 ASP B OD2 1 21 . B ATOM 120 N N . VAL B 1 22 ? 6.687 31.063 25.370 1.0 23.96 ? 46 VAL B N 1 22 . B ATOM 121 C CA . VAL B 1 22 ? 6.345 30.076 26.413 1.0 23.2 ? 46 VAL B CA 1 22 . B ATOM 122 C C . VAL B 1 22 ? 4.972 30.481 26.896 1.0 24.74 ? 46 VAL B C 1 22 . B ATOM 123 O O . VAL B 1 22 ? 4.730 31.642 27.241 1.0 25.69 ? 46 VAL B O 1 22 . B ATOM 124 C CB . VAL B 1 22 ? 7.423 29.982 27.551 1.0 26.21 ? 46 VAL B CB 1 22 . B ATOM 125 C CG1 . VAL B 1 22 ? 6.967 29.063 28.680 1.0 25.72 ? 46 VAL B CG1 1 22 . B ATOM 126 C CG2 . VAL B 1 22 ? 8.746 29.470 26.983 1.0 26.11 ? 46 VAL B CG2 1 22 . B ATOM 127 N N . TRP B 1 23 ? 4.042 29.537 26.926 1.0 21.24 ? 47 TRP B N 1 23 . B ATOM 128 C CA . TRP B 1 23 ? 2.699 29.867 27.364 1.0 20.94 ? 47 TRP B CA 1 23 . B ATOM 129 C C . TRP B 1 23 ? 2.037 28.678 28.003 1.0 24.64 ? 47 TRP B C 1 23 . B ATOM 130 O O . TRP B 1 23 ? 2.458 27.539 27.783 1.0 23.07 ? 47 TRP B O 1 23 . B ATOM 131 C CB . TRP B 1 23 ? 1.822 30.411 26.197 1.0 18.39 ? 47 TRP B CB 1 23 . B ATOM 132 C CG . TRP B 1 23 ? 1.464 29.373 25.171 1.0 19.16 ? 47 TRP B CG 1 23 . B ATOM 133 C CD1 . TRP B 1 23 ? 0.260 28.752 25.037 1.0 21.44 ? 47 TRP B CD1 1 23 . B ATOM 134 C CD2 . TRP B 1 23 ? 2.300 28.867 24.108 1.0 19.51 ? 47 TRP B CD2 1 23 . B ATOM 135 N NE1 . TRP B 1 23 ? 0.276 27.925 23.930 1.0 20.82 ? 47 TRP B NE1 1 23 . B ATOM 136 C CE2 . TRP B 1 23 ? 1.515 27.966 23.353 1.0 22.39 ? 47 TRP B CE2 1 23 . B ATOM 137 C CE3 . TRP B 1 23 ? 3.611 29.150 23.664 1.0 21.21 ? 47 TRP B CE3 1 23 . B ATOM 138 C CZ2 . TRP B 1 23 ? 2.027 27.259 22.257 1.0 22.17 ? 47 TRP B CZ2 1 23 . B ATOM 139 C CZ3 . TRP B 1 23 ? 4.108 28.477 22.547 1.0 23.27 ? 47 TRP B CZ3 1 23 . B ATOM 140 C CH2 . TRP B 1 23 ? 3.321 27.544 21.852 1.0 23.73 ? 47 TRP B CH2 1 23 . B ATOM 141 N N . LYS B 1 24 ? 0.957 28.953 28.729 1.0 22.67 ? 48 LYS B N 1 24 . B ATOM 142 C CA . LYS B 1 24 ? 0.178 27.887 29.320 1.0 21.7 ? 48 LYS B CA 1 24 . B ATOM 143 C C . LYS B 1 24 ? -1.231 27.982 28.792 1.0 25.15 ? 48 LYS B C 1 24 . B ATOM 144 O O . LYS B 1 24 ? -1.994 28.838 29.262 1.0 25.97 ? 48 LYS B O 1 24 . B ATOM 145 C CB . LYS B 1 24 ? 0.212 27.974 30.840 1.0 22.56 ? 48 LYS B CB 1 24 . B ATOM 146 C CG . LYS B 1 24 ? 1.604 27.819 31.424 1.0 25.75 ? 48 LYS B CG 1 24 . B ATOM 147 C CD . LYS B 1 24 ? 1.538 28.025 32.948 1.0 37.92 ? 48 LYS B CD 1 24 . B ATOM 148 C CE . LYS B 1 24 ? 1.086 26.789 33.662 1.0 35.32 ? 48 LYS B CE 1 24 . B ATOM 149 N NZ . LYS B 1 24 ? 0.774 27.040 35.115 1.0 34.33 ? 48 LYS B NZ 1 24 . B ATOM 150 N N . PRO B 1 25 ? -1.651 27.056 27.903 1.0 22.17 ? 49 PRO B N 1 25 . B ATOM 151 C CA . PRO B 1 25 ? -3.058 27.076 27.448 1.0 22.59 ? 49 PRO B CA 1 25 . B ATOM 152 C C . PRO B 1 25 ? -4.004 26.663 28.574 1.0 27.74 ? 49 PRO B C 1 25 . B ATOM 153 O O . PRO B 1 25 ? -5.193 26.942 28.498 1.0 27.7 ? 49 PRO B O 1 25 . B ATOM 154 C CB . PRO B 1 25 ? -3.073 26.084 26.286 1.0 24.78 ? 49 PRO B CB 1 25 . B ATOM 155 C CG . PRO B 1 25 ? -1.898 25.151 26.561 1.0 27.42 ? 49 PRO B CG 1 25 . B ATOM 156 C CD . PRO B 1 25 ? -0.870 25.997 27.226 1.0 22.98 ? 49 PRO B CD 1 25 . B ATOM 157 N N . GLU B 1 26 ? -3.470 25.961 29.605 1.0 23.54 ? 50 GLU B N 1 26 . B ATOM 158 C CA . GLU B 1 26 ? -4.180 25.543 30.822 1.0 23.97 ? 50 GLU B CA 1 26 . B ATOM 159 C C . GLU B 1 26 ? -3.231 25.639 32.005 1.0 24.85 ? 50 GLU B C 1 26 . B ATOM 160 O O . GLU B 1 26 ? -2.019 25.502 31.829 1.0 24.98 ? 50 GLU B O 1 26 . B ATOM 161 C CB . GLU B 1 26 ? -4.676 24.095 30.736 1.0 25.4 ? 50 GLU B CB 1 26 . B ATOM 162 C CG . GLU B 1 26 ? -5.946 23.949 29.912 1.0 38.69 ? 50 GLU B CG 1 26 . B ATOM 163 C CD . GLU B 1 26 ? -5.649 23.715 28.455 1.0 52.6 ? 50 GLU B CD 1 26 . B ATOM 164 O OE1 . GLU B 1 26 ? -4.515 23.275 28.164 1.0 45.66 ? 50 GLU B OE1 1 26 . B ATOM 165 O OE2 . GLU B 1 26 ? -6.516 24.016 27.602 1.0 50.73 ? 50 GLU B OE2 1 26 . B ATOM 166 N N . PRO B 1 27 ? -3.764 25.793 33.224 1.0 24.78 ? 51 PRO B N 1 27 . B ATOM 167 C CA . PRO B 1 27 ? -2.902 25.810 34.406 1.0 24.94 ? 51 PRO B CA 1 27 . B ATOM 168 C C . PRO B 1 27 ? -1.911 24.632 34.488 1.0 26.85 ? 51 PRO B C 1 27 . B ATOM 169 O O . PRO B 1 27 ? -0.799 24.818 34.972 1.0 25.34 ? 51 PRO B O 1 27 . B ATOM 170 C CB . PRO B 1 27 ? -3.899 25.783 35.570 1.0 27.17 ? 51 PRO B CB 1 27 . B ATOM 171 C CG . PRO B 1 27 ? -5.115 26.450 35.028 1.0 31.21 ? 51 PRO B CG 1 27 . B ATOM 172 C CD . PRO B 1 27 ? -5.189 26.012 33.581 1.0 26.26 ? 51 PRO B CD 1 27 . B ATOM 173 N N . CYS B 1 28 ? -2.303 23.447 34.005 1.0 24.02 ? 52 CYS B N 1 28 . B ATOM 174 C CA . CYS B 1 28 ? -1.471 22.226 34.077 1.0 23.21 ? 52 CYS B CA 1 28 . B ATOM 175 C C . CYS B 1 28 ? -0.828 21.822 32.754 1.0 24.22 ? 52 CYS B C 1 28 . B ATOM 176 O O . CYS B 1 28 ? -0.459 20.666 32.582 1.0 24.12 ? 52 CYS B O 1 28 . B ATOM 177 C CB . CYS B 1 28 ? -2.262 21.061 34.668 1.0 23.33 ? 52 CYS B CB 1 28 . B ATOM 178 S SG . CYS B 1 28 ? -2.848 21.371 36.352 1.0 27.44 ? 52 CYS B SG 1 28 . B ATOM 179 N N . ARG B 1 29 ? -0.693 22.764 31.805 1.0 20.64 ? 53 ARG B N 1 29 . B ATOM 180 C CA . ARG B 1 29 ? -0.080 22.425 30.540 1.0 19.79 ? 53 ARG B CA 1 29 . B ATOM 181 C C . ARG B 1 29 ? 0.833 23.602 30.158 1.0 23.62 ? 53 ARG B C 1 29 . B ATOM 182 O O . ARG B 1 29 ? 0.389 24.761 30.176 1.0 21.85 ? 53 ARG B O 1 29 . B ATOM 183 C CB . ARG B 1 29 ? -1.142 22.117 29.451 1.0 19.86 ? 53 ARG B CB 1 29 . B ATOM 184 C CG . ARG B 1 29 ? -0.518 21.564 28.152 1.0 24.52 ? 53 ARG B CG 1 29 . B ATOM 185 C CD . ARG B 1 29 ? -1.596 21.065 27.205 1.0 22.9 ? 53 ARG B CD 1 29 . B ATOM 186 N NE . ARG B 1 29 ? -1.038 20.305 26.082 1.0 26.47 ? 53 ARG B NE 1 29 . B ATOM 187 C CZ . ARG B 1 29 ? -1.227 20.575 24.787 1.0 34.86 ? 53 ARG B CZ 1 29 . B ATOM 188 N NH1 . ARG B 1 29 ? -1.987 21.602 24.416 1.0 28.44 ? 53 ARG B NH1 1 29 . B ATOM 189 N NH2 . ARG B 1 29 ? -0.658 19.823 23.860 1.0 28.53 ? 53 ARG B NH2 1 29 . B ATOM 190 N N A ILE B 1 30 ? 2.085 23.310 29.843 0.5 19.63 ? 54 ILE B N 1 30 . B ATOM 191 N N B ILE B 1 30 ? 2.115 23.322 29.896 0.5 20.89 ? 54 ILE B N 1 30 . B ATOM 192 C CA A ILE B 1 30 ? 3.058 24.351 29.519 0.5 19.78 ? 54 ILE B CA 1 30 . B ATOM 193 C CA B ILE B 1 30 ? 3.080 24.365 29.510 0.5 21.54 ? 54 ILE B CA 1 30 . B ATOM 194 C C A ILE B 1 30 ? 3.711 24.069 28.169 0.5 21.15 ? 54 ILE B C 1 30 . B ATOM 195 C C B ILE B 1 30 ? 3.612 24.046 28.137 0.5 22.84 ? 54 ILE B C 1 30 . B ATOM 196 O O A ILE B 1 30 ? 4.248 22.982 27.953 0.5 19.91 ? 54 ILE B O 1 30 . B ATOM 197 O O B ILE B 1 30 ? 4.013 22.911 27.887 0.5 22.57 ? 54 ILE B O 1 30 . B ATOM 198 C CB A ILE B 1 30 ? 4.065 24.588 30.684 0.5 22.17 ? 54 ILE B CB 1 30 . B ATOM 199 C CB B ILE B 1 30 ? 4.270 24.615 30.489 0.5 24.55 ? 54 ILE B CB 1 30 . B ATOM 200 C CG1 A ILE B 1 30 ? 5.038 25.758 30.368 0.5 22.41 ? 54 ILE B CG1 1 30 . B ATOM 201 C CG1 B ILE B 1 30 ? 3.893 24.434 31.964 0.5 24.24 ? 54 ILE B CG1 1 30 . B ATOM 202 C CG2 A ILE B 1 30 ? 4.798 23.295 31.079 0.5 20.95 ? 54 ILE B CG2 1 30 . B ATOM 203 C CG2 B ILE B 1 30 ? 4.905 26.009 30.233 0.5 25.51 ? 54 ILE B CG2 1 30 . B ATOM 204 C CD1 A ILE B 1 30 ? 5.740 26.336 31.582 0.5 18.37 ? 54 ILE B CD1 1 30 . B ATOM 205 C CD1 B ILE B 1 30 ? 5.136 24.197 32.876 0.5 35.79 ? 54 ILE B CD1 1 30 . B ATOM 206 N N . CYS B 1 31 ? 3.642 25.053 27.252 1.0 19.12 ? 55 CYS B N 1 31 . B ATOM 207 C CA . CYS B 1 31 ? 4.114 24.901 25.882 1.0 20.47 ? 55 CYS B CA 1 31 . B ATOM 208 C C . CYS B 1 31 ? 5.199 25.913 25.534 1.0 23.76 ? 55 CYS B C 1 31 . B ATOM 209 O O . CYS B 1 31 ? 5.236 27.016 26.081 1.0 21.88 ? 55 CYS B O 1 31 . B ATOM 210 C CB . CYS B 1 31 ? 2.941 25.055 24.906 1.0 21.01 ? 55 CYS B CB 1 31 . B ATOM 211 S SG . CYS B 1 31 ? 1.531 23.980 25.274 1.0 23.21 ? 55 CYS B SG 1 31 . B ATOM 212 N N . VAL B 1 32 ? 6.026 25.508 24.597 1.0 21.89 ? 56 VAL B N 1 32 . B ATOM 213 C CA . VAL B 1 32 ? 7.043 26.376 23.985 1.0 23.27 ? 56 VAL B CA 1 32 . B ATOM 214 C C . VAL B 1 32 ? 6.946 26.231 22.469 1.0 25.56 ? 56 VAL B C 1 32 . B ATOM 215 O O . VAL B 1 32 ? 6.660 25.149 21.932 1.0 24.65 ? 56 VAL B O 1 32 . B ATOM 216 C CB . VAL B 1 32 ? 8.490 26.087 24.518 1.0 27.58 ? 56 VAL B CB 1 32 . B ATOM 217 C CG1 . VAL B 1 32 ? 8.937 24.672 24.146 1.0 27.87 ? 56 VAL B CG1 1 32 . B ATOM 218 C CG2 . VAL B 1 32 ? 9.498 27.131 23.976 1.0 27.37 ? 56 VAL B CG2 1 32 . B ATOM 219 N N . CYS B 1 33 ? 7.287 27.312 21.756 1.0 24.3 ? 57 CYS B N 1 33 . B ATOM 220 C CA . CYS B 1 33 ? 7.351 27.236 20.326 1.0 25.03 ? 57 CYS B CA 1 33 . B ATOM 221 C C . CYS B 1 33 ? 8.825 27.004 19.965 1.0 30.92 ? 57 CYS B C 1 33 . B ATOM 222 O O . CYS B 1 33 ? 9.686 27.821 20.303 1.0 30.44 ? 57 CYS B O 1 33 . B ATOM 223 C CB . CYS B 1 33 ? 6.798 28.497 19.678 1.0 26.46 ? 57 CYS B CB 1 33 . B ATOM 224 S SG . CYS B 1 33 ? 7.025 28.510 17.878 1.0 30.95 ? 57 CYS B SG 1 33 . B ATOM 225 N N . ASP B 1 34 ? 9.110 25.851 19.396 1.0 31.69 ? 58 ASP B N 1 34 . B ATOM 226 C CA . ASP B 1 34 ? 10.468 25.454 19.052 1.0 33.24 ? 58 ASP B CA 1 34 . B ATOM 227 C C . ASP B 1 34 ? 10.641 25.406 17.544 1.0 38.68 ? 58 ASP B C 1 34 . B ATOM 228 O O . ASP B 1 34 ? 10.389 24.387 16.913 1.0 38.57 ? 58 ASP B O 1 34 . B ATOM 229 C CB . ASP B 1 34 ? 10.850 24.133 19.742 1.0 35.52 ? 58 ASP B CB 1 34 . B ATOM 230 C CG . ASP B 1 34 ? 12.266 23.654 19.434 1.0 49.79 ? 58 ASP B CG 1 34 . B ATOM 231 O OD1 . ASP B 1 34 ? 13.102 24.489 19.016 1.0 50.53 ? 58 ASP B OD1 1 34 . B ATOM 232 O OD2 . ASP B 1 34 ? 12.529 22.448 19.596 1.0 56.0 ? 58 ASP B OD2 1 34 . B ATOM 233 N N . THR B 1 35 ? 11.005 26.564 16.975 1.0 40.13 ? 59 THR B N 1 35 . B ATOM 234 C CA . THR B 1 35 ? 11.244 26.802 15.539 1.0 40.88 ? 59 THR B CA 1 35 . B ATOM 235 C C . THR B 1 35 ? 10.217 26.070 14.662 1.0 43.04 ? 59 THR B C 1 35 . B ATOM 236 O O . THR B 1 35 ? 10.560 25.154 13.910 1.0 44.41 ? 59 THR B O 1 35 . B ATOM 237 C CB . THR B 1 35 ? 12.722 26.497 15.175 1.0 56.0 ? 59 THR B CB 1 35 . B ATOM 238 O OG1 . THR B 1 35 ? 13.556 26.769 16.306 1.0 59.85 ? 59 THR B OG1 1 35 . B ATOM 239 C CG2 . THR B 1 35 ? 13.210 27.320 13.993 1.0 59.05 ? 59 THR B CG2 1 35 . B ATOM 240 N N . GLY B 1 36 ? 8.950 26.445 14.813 1.0 36.91 ? 60 GLY B N 1 36 . B ATOM 241 C CA . GLY B 1 36 ? 7.864 25.865 14.029 1.0 35.44 ? 60 GLY B CA 1 36 . B ATOM 242 C C . GLY B 1 36 ? 7.066 24.746 14.672 1.0 36.28 ? 60 GLY B C 1 36 . B ATOM 243 O O . GLY B 1 36 ? 5.933 24.491 14.266 1.0 35.12 ? 60 GLY B O 1 36 . B ATOM 244 N N . THR B 1 37 ? 7.652 24.060 15.679 1.0 32.61 ? 61 THR B N 1 37 . B ATOM 245 C CA . THR B 1 37 ? 6.999 22.942 16.357 1.0 30.69 ? 61 THR B CA 1 37 . B ATOM 246 C C . THR B 1 37 ? 6.635 23.317 17.805 1.0 29.52 ? 61 THR B C 1 37 . B ATOM 247 O O . THR B 1 37 ? 7.487 23.753 18.581 1.0 29.77 ? 61 THR B O 1 37 . B ATOM 248 C CB . THR B 1 37 ? 7.907 21.670 16.327 1.0 40.66 ? 61 THR B CB 1 37 . B ATOM 249 O OG1 . THR B 1 37 ? 8.077 21.252 14.975 1.0 40.56 ? 61 THR B OG1 1 37 . B ATOM 250 C CG2 . THR B 1 37 ? 7.308 20.499 17.109 1.0 37.08 ? 61 THR B CG2 1 37 . B ATOM 251 N N . VAL B 1 38 ? 5.361 23.148 18.129 1.0 25.91 ? 62 VAL B N 1 38 . B ATOM 252 C CA . VAL B 1 38 ? 4.828 23.360 19.485 1.0 25.62 ? 62 VAL B CA 1 38 . B ATOM 253 C C . VAL B 1 38 ? 5.263 22.132 20.309 1.0 27.19 ? 62 VAL B C 1 38 . B ATOM 254 O O . VAL B 1 38 ? 5.020 20.999 19.892 1.0 26.36 ? 62 VAL B O 1 38 . B ATOM 255 C CB . VAL B 1 38 ? 3.276 23.438 19.486 1.0 29.56 ? 62 VAL B CB 1 38 . B ATOM 256 C CG1 . VAL B 1 38 ? 2.727 23.506 20.922 1.0 28.6 ? 62 VAL B CG1 1 38 . B ATOM 257 C CG2 . VAL B 1 38 ? 2.778 24.622 18.659 1.0 28.97 ? 62 VAL B CG2 1 38 . B ATOM 258 N N . LEU B 1 39 ? 5.876 22.370 21.468 1.0 25.05 ? 63 LEU B N 1 39 . B ATOM 259 C CA . LEU B 1 39 ? 6.235 21.295 22.404 1.0 25.08 ? 63 LEU B CA 1 39 . B ATOM 260 C C . LEU B 1 39 ? 5.548 21.614 23.721 1.0 25.92 ? 63 LEU B C 1 39 . B ATOM 261 O O . LEU B 1 39 ? 5.803 22.677 24.290 1.0 25.44 ? 63 LEU B O 1 39 . B ATOM 262 C CB . LEU B 1 39 ? 7.764 21.222 22.600 1.0 26.3 ? 63 LEU B CB 1 39 . B ATOM 263 C CG . LEU B 1 39 ? 8.593 20.909 21.333 1.0 32.33 ? 63 LEU B CG 1 39 . B ATOM 264 C CD1 . LEU B 1 39 ? 10.074 20.940 21.646 1.0 33.56 ? 63 LEU B CD1 1 39 . B ATOM 265 C CD2 . LEU B 1 39 ? 8.205 19.565 20.711 1.0 35.47 ? 63 LEU B CD2 1 39 . B ATOM 266 N N . CYS B 1 40 ? 4.688 20.705 24.208 1.0 21.28 ? 64 CYS B N 1 40 . B ATOM 267 C CA . CYS B 1 40 ? 3.993 20.932 25.476 1.0 20.03 ? 64 CYS B CA 1 40 . B ATOM 268 C C . CYS B 1 40 ? 4.313 19.806 26.442 1.0 23.29 ? 64 CYS B C 1 40 . B ATOM 269 O O . CYS B 1 40 ? 4.476 18.635 26.026 1.0 23.22 ? 64 CYS B O 1 40 . B ATOM 270 C CB . CYS B 1 40 ? 2.482 21.040 25.290 1.0 20.51 ? 64 CYS B CB 1 40 . B ATOM 271 S SG . CYS B 1 40 ? 1.941 22.331 24.139 1.0 24.38 ? 64 CYS B SG 1 40 . B ATOM 272 N N . ASP B 1 41 ? 4.278 20.153 27.726 1.0 20.97 ? 65 ASP B N 1 41 . B ATOM 273 C CA . ASP B 1 41 ? 4.353 19.220 28.835 1.0 19.4 ? 65 ASP B CA 1 41 . B ATOM 274 C C . ASP B 1 41 ? 3.138 19.402 29.720 1.0 23.64 ? 65 ASP B C 1 41 . B ATOM 275 O O . ASP B 1 41 ? 2.705 20.532 29.964 1.0 22.59 ? 65 ASP B O 1 41 . B ATOM 276 C CB . ASP B 1 41 ? 5.640 19.470 29.652 1.0 21.26 ? 65 ASP B CB 1 41 . B ATOM 277 C CG . ASP B 1 41 ? 6.916 19.240 28.837 1.0 28.48 ? 65 ASP B CG 1 41 . B ATOM 278 O OD1 . ASP B 1 41 ? 6.910 18.378 27.966 1.0 29.92 ? 65 ASP B OD1 1 41 . B ATOM 279 O OD2 . ASP B 1 41 ? 7.888 19.963 29.056 1.0 35.59 ? 65 ASP B OD2 1 41 . B ATOM 280 N N . ASP B 1 42 ? 2.580 18.284 30.220 1.0 20.12 ? 66 ASP B N 1 42 . B ATOM 281 C CA . ASP B 1 42 ? 1.449 18.297 31.150 1.0 20.1 ? 66 ASP B CA 1 42 . B ATOM 282 C C . ASP B 1 42 ? 2.003 18.100 32.517 1.0 24.68 ? 66 ASP B C 1 42 . B ATOM 283 O O . ASP B 1 42 ? 2.907 17.265 32.710 1.0 24.26 ? 66 ASP B O 1 42 . B ATOM 284 C CB . ASP B 1 42 ? 0.456 17.178 30.823 1.0 21.94 ? 66 ASP B CB 1 42 . B ATOM 285 C CG . ASP B 1 42 ? -0.054 17.337 29.398 1.0 33.59 ? 66 ASP B CG 1 42 . B ATOM 286 O OD1 . ASP B 1 42 ? -0.525 18.432 29.062 1.0 30.84 ? 66 ASP B OD1 1 42 . B ATOM 287 O OD2 . ASP B 1 42 ? 0.026 16.373 28.641 1.0 37.65 ? 66 ASP B OD2 1 42 . B ATOM 288 N N . ILE B 1 43 ? 1.470 18.856 33.482 1.0 21.17 ? 67 ILE B N 1 43 . B ATOM 289 C CA . ILE B 1 43 ? 1.963 18.803 34.847 1.0 20.93 ? 67 ILE B CA 1 43 . B ATOM 290 C C . ILE B 1 43 ? 1.051 17.881 35.620 1.0 24.85 ? 67 ILE B C 1 43 . B ATOM 291 O O . ILE B 1 43 ? -0.167 18.023 35.559 1.0 21.51 ? 67 ILE B O 1 43 . B ATOM 292 C CB . ILE B 1 43 ? 2.009 20.225 35.501 1.0 25.37 ? 67 ILE B CB 1 43 . B ATOM 293 C CG1 . ILE B 1 43 ? 2.897 21.178 34.681 1.0 26.9 ? 67 ILE B CG1 1 43 . B ATOM 294 C CG2 . ILE B 1 43 ? 2.408 20.193 37.010 1.0 26.05 ? 67 ILE B CG2 1 43 . B ATOM 295 C CD1 . ILE B 1 43 ? 2.730 22.612 35.093 1.0 36.91 ? 67 ILE B CD1 1 43 . B ATOM 296 N N . ILE B 1 44 ? 1.657 16.965 36.350 1.0 20.2 ? 68 ILE B N 1 44 . B ATOM 297 C CA . ILE B 1 44 ? 0.963 16.055 37.271 1.0 21.49 ? 68 ILE B CA 1 44 . B ATOM 298 C C . ILE B 1 44 ? 1.497 16.358 38.665 1.0 24.39 ? 68 ILE B C 1 44 . B ATOM 299 O O . ILE B 1 44 ? 2.707 16.337 38.879 1.0 23.19 ? 68 ILE B O 1 44 . B ATOM 300 C CB . ILE B 1 44 ? 1.130 14.549 36.888 1.0 24.96 ? 68 ILE B CB 1 44 . B ATOM 301 C CG1 . ILE B 1 44 ? 0.472 14.224 35.521 1.0 27.22 ? 68 ILE B CG1 1 44 . B ATOM 302 C CG2 . ILE B 1 44 ? 0.580 13.625 38.018 1.0 25.82 ? 68 ILE B CG2 1 44 . B ATOM 303 C CD1 . ILE B 1 44 ? -0.974 14.454 35.400 1.0 37.41 ? 68 ILE B CD1 1 44 . B ATOM 304 N N . CYS B 1 45 ? 0.592 16.552 39.630 1.0 22.05 ? 69 CYS B N 1 45 . B ATOM 305 C CA . CYS B 1 45 ? 0.981 16.831 41.009 1.0 23.34 ? 69 CYS B CA 1 45 . B ATOM 306 C C . CYS B 1 45 ? 1.303 15.521 41.715 1.0 28.39 ? 69 CYS B C 1 45 . B ATOM 307 O O . CYS B 1 45 ? 0.545 14.573 41.611 1.0 27.99 ? 69 CYS B O 1 45 . B ATOM 308 C CB . CYS B 1 45 ? -0.169 17.567 41.696 1.0 25.42 ? 69 CYS B CB 1 45 . B ATOM 309 S SG . CYS B 1 45 ? -0.769 18.980 40.732 1.0 29.72 ? 69 CYS B SG 1 45 . B ATOM 310 N N . GLU B 1 46 ? 2.395 15.469 42.472 1.0 23.76 ? 70 GLU B N 1 46 . B ATOM 311 C CA . GLU B 1 46 ? 2.661 14.280 43.302 1.0 23.41 ? 70 GLU B CA 1 46 . B ATOM 312 C C . GLU B 1 46 ? 1.414 14.055 44.197 1.0 26.99 ? 70 GLU B C 1 46 . B ATOM 313 O O . GLU B 1 46 ? 0.896 15.007 44.779 1.0 27.92 ? 70 GLU B O 1 46 . B ATOM 314 C CB . GLU B 1 46 ? 3.857 14.570 44.197 1.0 23.92 ? 70 GLU B CB 1 46 . B ATOM 315 C CG . GLU B 1 46 ? 4.205 13.375 45.090 1.0 26.7 ? 70 GLU B CG 1 46 . B ATOM 316 C CD . GLU B 1 46 ? 5.452 13.616 45.903 1.0 47.83 ? 70 GLU B CD 1 46 . B ATOM 317 O OE1 . GLU B 1 46 ? 5.771 14.802 46.150 1.0 33.42 ? 70 GLU B OE1 1 46 . B ATOM 318 O OE2 . GLU B 1 46 ? 6.138 12.626 46.243 1.0 44.19 ? 70 GLU B OE2 1 46 . B ATOM 319 N N . ASP B 1 47 ? 0.972 12.809 44.316 1.0 24.86 ? 71 ASP B N 1 47 . B ATOM 320 C CA . ASP B 1 47 ? -0.160 12.444 45.158 1.0 24.83 ? 71 ASP B CA 1 47 . B ATOM 321 C C . ASP B 1 47 ? 0.287 12.357 46.616 1.0 28.05 ? 71 ASP B C 1 47 . B ATOM 322 O O . ASP B 1 47 ? 0.744 11.323 47.053 1.0 27.03 ? 71 ASP B O 1 47 . B ATOM 323 C CB . ASP B 1 47 ? -0.754 11.104 44.693 1.0 27.29 ? 71 ASP B CB 1 47 . B ATOM 324 C CG . ASP B 1 47 ? -2.057 10.728 45.379 1.0 38.11 ? 71 ASP B CG 1 47 . B ATOM 325 O OD1 . ASP B 1 47 ? -2.581 11.545 46.159 1.0 40.92 ? 71 ASP B OD1 1 47 . B ATOM 326 O OD2 . ASP B 1 47 ? -2.539 9.622 45.146 1.0 44.99 ? 71 ASP B OD2 1 47 . B ATOM 327 N N . VAL B 1 48 ? 0.128 13.449 47.349 1.0 26.09 ? 72 VAL B N 1 48 . B ATOM 328 C CA . VAL B 1 48 ? 0.437 13.597 48.765 1.0 28.58 ? 72 VAL B CA 1 48 . B ATOM 329 C C . VAL B 1 48 ? -0.786 14.250 49.417 1.0 33.69 ? 72 VAL B C 1 48 . B ATOM 330 O O . VAL B 1 48 ? -1.197 15.346 49.011 1.0 34.42 ? 72 VAL B O 1 48 . B ATOM 331 C CB . VAL B 1 48 ? 1.660 14.489 49.074 1.0 36.22 ? 72 VAL B CB 1 48 . B ATOM 332 C CG1 . VAL B 1 48 ? 2.162 14.229 50.496 1.0 36.16 ? 72 VAL B CG1 1 48 . B ATOM 333 C CG2 . VAL B 1 48 ? 2.771 14.308 48.075 1.0 38.06 ? 72 VAL B CG2 1 48 . B ATOM 334 N N . LYS B 1 49 ? -1.318 13.624 50.444 1.0 27.02 ? 73 LYS B N 1 49 . B ATOM 335 C CA . LYS B 1 49 ? -2.481 14.198 51.127 1.0 27.36 ? 73 LYS B CA 1 49 . B ATOM 336 C C . LYS B 1 49 ? -2.109 14.527 52.522 1.0 28.72 ? 73 LYS B C 1 49 . B ATOM 337 O O . LYS B 1 49 ? -2.353 13.725 53.407 1.0 30.81 ? 73 LYS B O 1 49 . B ATOM 338 C CB . LYS B 1 49 ? -3.643 13.198 51.161 1.0 30.46 ? 73 LYS B CB 1 49 . B ATOM 339 C CG . LYS B 1 49 ? -3.978 12.539 49.849 1.0 38.31 ? 73 LYS B CG 1 49 . B ATOM 340 C CD . LYS B 1 49 ? -4.527 13.476 48.836 1.0 38.99 ? 73 LYS B CD 1 49 . B ATOM 341 C CE . LYS B 1 49 ? -5.329 12.675 47.850 1.0 46.32 ? 73 LYS B CE 1 49 . B ATOM 342 N NZ . LYS B 1 49 ? -5.801 13.532 46.749 1.0 50.37 ? 73 LYS B NZ 1 49 . B ATOM 343 N N . ASP B 1 50 ? -1.502 15.676 52.745 1.0 25.47 ? 74 ASP B N 1 50 . B ATOM 344 C CA . ASP B 1 50 ? -1.119 15.989 54.122 1.0 28.96 ? 74 ASP B CA 1 50 . B ATOM 345 C C . ASP B 1 50 ? -1.286 17.475 54.403 1.0 34.17 ? 74 ASP B C 1 50 . B ATOM 346 O O . ASP B 1 50 ? -0.399 18.088 55.006 1.0 36.3 ? 74 ASP B O 1 50 . B ATOM 347 C CB . ASP B 1 50 ? 0.342 15.538 54.370 1.0 32.22 ? 74 ASP B CB 1 50 . B ATOM 348 C CG . ASP B 1 50 ? 1.407 16.262 53.545 1.0 53.03 ? 74 ASP B CG 1 50 . B ATOM 349 O OD1 . ASP B 1 50 ? 1.044 17.134 52.715 1.0 53.99 ? 74 ASP B OD1 1 50 . B ATOM 350 O OD2 . ASP B 1 50 ? 2.602 15.969 53.741 1.0 67.87 ? 74 ASP B OD2 1 50 . B ATOM 351 N N . CYS B 1 51 ? -2.347 18.080 53.888 1.0 27.53 ? 75 CYS B N 1 51 . B ATOM 352 C CA . CYS B 1 51 ? -2.558 19.504 54.093 1.0 26.26 ? 75 CYS B CA 1 51 . B ATOM 353 C C . CYS B 1 51 ? -3.999 19.734 54.503 1.0 27.86 ? 75 CYS B C 1 51 . B ATOM 354 O O . CYS B 1 51 ? -4.902 19.190 53.871 1.0 26.86 ? 75 CYS B O 1 51 . B ATOM 355 C CB . CYS B 1 51 ? -2.229 20.295 52.833 1.0 26.42 ? 75 CYS B CB 1 51 . B ATOM 356 S SG . CYS B 1 51 ? -2.355 22.082 53.043 1.0 29.61 ? 75 CYS B SG 1 51 . B ATOM 357 N N . LEU B 1 52 ? -4.209 20.518 55.548 1.0 25.21 ? 76 LEU B N 1 52 . B ATOM 358 C CA . LEU B 1 52 ? -5.554 20.825 56.045 1.0 24.64 ? 76 LEU B CA 1 52 . B ATOM 359 C C . LEU B 1 52 ? -6.145 22.026 55.330 1.0 25.36 ? 76 LEU B C 1 52 . B ATOM 360 O O . LEU B 1 52 ? -7.340 22.287 55.443 1.0 24.96 ? 76 LEU B O 1 52 . B ATOM 361 C CB . LEU B 1 52 ? -5.549 21.041 57.567 1.0 25.65 ? 76 LEU B CB 1 52 . B ATOM 362 C CG . LEU B 1 52 ? -5.256 19.832 58.433 1.0 30.21 ? 76 LEU B CG 1 52 . B ATOM 363 C CD1 . LEU B 1 52 ? -4.888 20.259 59.883 1.0 32.33 ? 76 LEU B CD1 1 52 . B ATOM 364 C CD2 . LEU B 1 52 ? -6.400 18.857 58.415 1.0 33.28 ? 76 LEU B CD2 1 52 . B ATOM 365 N N . SER B 1 53 ? -5.321 22.782 54.587 1.0 24.55 ? 77 SER B N 1 53 . B ATOM 366 C CA . SER B 1 53 ? -5.797 23.968 53.880 1.0 24.37 ? 77 SER B CA 1 53 . B ATOM 367 C C . SER B 1 53 ? -5.125 24.116 52.498 1.0 27.84 ? 77 SER B C 1 53 . B ATOM 368 O O . SER B 1 53 ? -4.449 25.109 52.250 1.0 28.82 ? 77 SER B O 1 53 . B ATOM 369 C CB . SER B 1 53 ? -5.570 25.219 54.736 1.0 30.51 ? 77 SER B CB 1 53 . B ATOM 370 O OG . SER B 1 53 ? -6.037 26.361 54.037 1.0 38.3 ? 77 SER B OG 1 53 . B ATOM 371 N N . PRO B 1 54 ? -5.283 23.124 51.599 1.0 23.78 ? 78 PRO B N 1 54 . B ATOM 372 C CA . PRO B 1 54 ? -4.612 23.194 50.282 1.0 23.33 ? 78 PRO B CA 1 54 . B ATOM 373 C C . PRO B 1 54 ? -5.129 24.354 49.468 1.0 27.16 ? 78 PRO B C 1 54 . B ATOM 374 O O . PRO B 1 54 ? -6.322 24.660 49.514 1.0 27.03 ? 78 PRO B O 1 54 . B ATOM 375 C CB . PRO B 1 54 ? -4.979 21.863 49.631 1.0 24.4 ? 78 PRO B CB 1 54 . B ATOM 376 C CG . PRO B 1 54 ? -6.244 21.447 50.295 1.0 28.43 ? 78 PRO B CG 1 54 . B ATOM 377 C CD . PRO B 1 54 ? -6.042 21.861 51.735 1.0 25.54 ? 78 PRO B CD 1 54 . B ATOM 378 N N . GLU B 1 55 ? -4.236 25.015 48.719 1.0 24.2 ? 79 GLU B N 1 55 . B ATOM 379 C CA . GLU B 1 55 ? -4.626 26.166 47.918 1.0 25.51 ? 79 GLU B CA 1 55 . B ATOM 380 C C . GLU B 1 55 ? -3.944 26.081 46.590 1.0 30.12 ? 79 GLU B C 1 55 . B ATOM 381 O O . GLU B 1 55 ? -2.754 25.796 46.544 1.0 31.11 ? 79 GLU B O 1 55 . B ATOM 382 C CB . GLU B 1 55 ? -4.148 27.459 48.622 1.0 28.63 ? 79 GLU B CB 1 55 . B ATOM 383 C CG . GLU B 1 55 ? -4.929 27.727 49.902 1.0 39.57 ? 79 GLU B CG 1 55 . B ATOM 384 C CD . GLU B 1 55 ? -4.395 28.768 50.863 1.0 60.06 ? 79 GLU B CD 1 55 . B ATOM 385 O OE1 . GLU B 1 55 ? -3.455 29.509 50.492 1.0 46.04 ? 79 GLU B OE1 1 55 . B ATOM 386 O OE2 . GLU B 1 55 ? -4.925 28.838 51.995 1.0 51.74 ? 79 GLU B OE2 1 55 . B ATOM 387 N N . ILE B 1 56 ? -4.696 26.327 45.528 1.0 28.18 ? 80 ILE B N 1 56 . B ATOM 388 C CA . ILE B 1 56 ? -4.167 26.359 44.175 1.0 27.98 ? 80 ILE B CA 1 56 . B ATOM 389 C C . ILE B 1 56 ? -4.090 27.817 43.768 1.0 34.83 ? 80 ILE B C 1 56 . B ATOM 390 O O . ILE B 1 56 ? -5.116 28.412 43.466 1.0 35.86 ? 80 ILE B O 1 56 . B ATOM 391 C CB . ILE B 1 56 ? -4.919 25.496 43.141 1.0 29.4 ? 80 ILE B CB 1 56 . B ATOM 392 C CG1 . ILE B 1 56 ? -5.041 24.033 43.619 1.0 27.35 ? 80 ILE B CG1 1 56 . B ATOM 393 C CG2 . ILE B 1 56 ? -4.141 25.583 41.802 1.0 30.22 ? 80 ILE B CG2 1 56 . B ATOM 394 C CD1 . ILE B 1 56 ? -5.803 23.157 42.666 1.0 28.65 ? 80 ILE B CD1 1 56 . B ATOM 395 N N . PRO B 1 57 ? -2.884 28.401 43.811 1.0 33.49 ? 81 PRO B N 1 57 . B ATOM 396 C CA . PRO B 1 57 ? -2.735 29.807 43.414 1.0 34.85 ? 81 PRO B CA 1 57 . B ATOM 397 C C . PRO B 1 57 ? -3.200 30.027 41.993 1.0 41.03 ? 81 PRO B C 1 57 . B ATOM 398 O O . PRO B 1 57 ? -3.130 29.125 41.143 1.0 38.89 ? 81 PRO B O 1 57 . B ATOM 399 C CB . PRO B 1 57 ? -1.236 30.060 43.540 1.0 36.2 ? 81 PRO B CB 1 57 . B ATOM 400 C CG . PRO B 1 57 ? -0.723 28.998 44.454 1.0 39.99 ? 81 PRO B CG 1 57 . B ATOM 401 C CD . PRO B 1 57 ? -1.575 27.800 44.136 1.0 34.8 ? 81 PRO B CD 1 57 . B ATOM 402 N N . PHE B 1 58 ? -3.741 31.215 41.757 1.0 38.38 ? 82 PHE B N 1 58 . B ATOM 403 C CA . PHE B 1 58 ? -4.263 31.600 40.458 1.0 39.95 ? 82 PHE B CA 1 58 . B ATOM 404 C C . PHE B 1 58 ? -3.270 31.290 39.327 1.0 40.97 ? 82 PHE B C 1 58 . B ATOM 405 O O . PHE B 1 58 ? -2.093 31.619 39.427 1.0 38.66 ? 82 PHE B O 1 58 . B ATOM 406 C CB . PHE B 1 58 ? -4.654 33.086 40.462 1.0 43.28 ? 82 PHE B CB 1 58 . B ATOM 407 C CG . PHE B 1 58 ? -5.380 33.496 39.210 1.0 46.71 ? 82 PHE B CG 1 58 . B ATOM 408 C CD1 . PHE B 1 58 ? -6.641 32.993 38.922 1.0 51.4 ? 82 PHE B CD1 1 58 . B ATOM 409 C CD2 . PHE B 1 58 ? -4.795 34.373 38.307 1.0 50.35 ? 82 PHE B CD2 1 58 . B ATOM 410 C CE1 . PHE B 1 58 ? -7.309 33.367 37.754 1.0 52.92 ? 82 PHE B CE1 1 58 . B ATOM 411 C CE2 . PHE B 1 58 ? -5.466 34.754 37.146 1.0 53.43 ? 82 PHE B CE2 1 58 . B ATOM 412 C CZ . PHE B 1 58 ? -6.715 34.242 36.872 1.0 51.69 ? 82 PHE B CZ 1 58 . B ATOM 413 N N . GLY B 1 59 ? -3.760 30.586 38.316 1.0 38.25 ? 83 GLY B N 1 59 . B ATOM 414 C CA . GLY B 1 59 ? -2.977 30.171 37.155 1.0 38.25 ? 83 GLY B CA 1 59 . B ATOM 415 C C . GLY B 1 59 ? -2.004 29.031 37.365 1.0 40.37 ? 83 GLY B C 1 59 . B ATOM 416 O O . GLY B 1 59 ? -1.283 28.651 36.433 1.0 39.0 ? 83 GLY B O 1 59 . B ATOM 417 N N . GLU B 1 60 ? -1.968 28.470 38.582 1.0 33.3 ? 84 GLU B N 1 60 . B ATOM 418 C CA . GLU B 1 60 ? -1.036 27.386 38.849 1.0 31.48 ? 84 GLU B CA 1 60 . B ATOM 419 C C . GLU B 1 60 ? -1.708 26.039 38.786 1.0 30.99 ? 84 GLU B C 1 60 . B ATOM 420 O O . GLU B 1 60 ? -2.929 25.957 38.790 1.0 29.99 ? 84 GLU B O 1 60 . B ATOM 421 C CB . GLU B 1 60 ? -0.338 27.598 40.174 1.0 33.25 ? 84 GLU B CB 1 60 . B ATOM 422 C CG . GLU B 1 60 ? 0.538 28.843 40.158 1.0 46.45 ? 84 GLU B CG 1 60 . B ATOM 423 C CD . GLU B 1 60 ? 1.540 28.905 41.293 1.0 82.14 ? 84 GLU B CD 1 60 . B ATOM 424 O OE1 . GLU B 1 60 ? 1.479 28.038 42.196 1.0 75.14 ? 84 GLU B OE1 1 60 . B ATOM 425 O OE2 . GLU B 1 60 ? 2.391 29.824 41.280 1.0 87.87 ? 84 GLU B OE2 1 60 . B ATOM 426 N N . CYS B 1 61 ? -0.922 24.982 38.707 1.0 25.3 ? 85 CYS B N 1 61 . B ATOM 427 C CA . CYS B 1 61 ? -1.488 23.667 38.598 1.0 23.81 ? 85 CYS B CA 1 61 . B ATOM 428 C C . CYS B 1 61 ? -1.755 23.005 39.946 1.0 27.52 ? 85 CYS B C 1 61 . B ATOM 429 O O . CYS B 1 61 ? -2.848 22.513 40.197 1.0 29.95 ? 85 CYS B O 1 61 . B ATOM 430 C CB . CYS B 1 61 ? -0.572 22.800 37.736 1.0 23.75 ? 85 CYS B CB 1 61 . B ATOM 431 S SG . CYS B 1 61 ? -1.187 21.124 37.500 1.0 25.76 ? 85 CYS B SG 1 61 . B ATOM 432 N N . CYS B 1 62 ? -0.721 22.928 40.777 1.0 23.04 ? 86 CYS B N 1 62 . B ATOM 433 C CA . CYS B 1 62 ? -0.714 22.125 41.982 1.0 24.39 ? 86 CYS B CA 1 62 . B ATOM 434 C C . CYS B 1 62 ? -0.978 22.873 43.266 1.0 28.95 ? 86 CYS B C 1 62 . B ATOM 435 O O . CYS B 1 62 ? -0.514 23.982 43.458 1.0 29.52 ? 86 CYS B O 1 62 . B ATOM 436 C CB . CYS B 1 62 ? 0.587 21.342 42.083 1.0 25.37 ? 86 CYS B CB 1 62 . B ATOM 437 S SG . CYS B 1 62 ? 0.843 20.195 40.703 1.0 29.53 ? 86 CYS B SG 1 62 . B ATOM 438 N N . PRO B 1 63 ? -1.705 22.221 44.182 1.0 27.13 ? 87 PRO B N 1 63 . B ATOM 439 C CA . PRO B 1 63 ? -1.941 22.853 45.479 1.0 28.11 ? 87 PRO B CA 1 63 . B ATOM 440 C C . PRO B 1 63 ? -0.666 22.873 46.295 1.0 31.24 ? 87 PRO B C 1 63 . B ATOM 441 O O . PRO B 1 63 ? 0.195 21.976 46.216 1.0 30.36 ? 87 PRO B O 1 63 . B ATOM 442 C CB . PRO B 1 63 ? -2.976 21.937 46.139 1.0 29.65 ? 87 PRO B CB 1 63 . B ATOM 443 C CG . PRO B 1 63 ? -2.797 20.636 45.515 1.0 33.6 ? 87 PRO B CG 1 63 . B ATOM 444 C CD . PRO B 1 63 ? -2.329 20.890 44.104 1.0 28.82 ? 87 PRO B CD 1 63 . B ATOM 445 N N . ILE B 1 64 ? -0.593 23.871 47.115 1.0 30.35 ? 88 ILE B N 1 64 . B ATOM 446 C CA . ILE B 1 64 ? 0.474 24.053 48.066 1.0 32.17 ? 88 ILE B CA 1 64 . B ATOM 447 C C . ILE B 1 64 ? -0.212 24.156 49.415 1.0 33.0 ? 88 ILE B C 1 64 . B ATOM 448 O O . ILE B 1 64 ? -1.415 24.446 49.475 1.0 28.72 ? 88 ILE B O 1 64 . B ATOM 449 C CB . ILE B 1 64 ? 1.319 25.303 47.738 1.0 37.48 ? 88 ILE B CB 1 64 . B ATOM 450 C CG1 . ILE B 1 64 ? 0.429 26.558 47.521 1.0 39.63 ? 88 ILE B CG1 1 64 . B ATOM 451 C CG2 . ILE B 1 64 ? 2.227 25.007 46.524 1.0 39.21 ? 88 ILE B CG2 1 64 . B ATOM 452 C CD1 . ILE B 1 64 ? 0.736 27.680 48.377 1.0 54.34 ? 88 ILE B CD1 1 64 . B ATOM 453 N N . CYS B 1 65 ? 0.555 23.939 50.473 1.0 30.69 ? 89 CYS B N 1 65 . B ATOM 454 C CA . CYS B 1 65 ? 0.039 24.062 51.824 1.0 30.68 ? 89 CYS B CA 1 65 . B ATOM 455 C C . CYS B 1 65 ? 0.562 25.390 52.408 1.0 42.1 ? 89 CYS B C 1 65 . B ATOM 456 O O . CYS B 1 65 ? 1.770 25.606 52.366 1.0 43.44 ? 89 CYS B O 1 65 . B ATOM 457 C CB . CYS B 1 65 ? 0.467 22.870 52.661 1.0 29.0 ? 89 CYS B CB 1 65 . B ATOM 458 S SG . CYS B 1 65 ? -0.629 22.559 54.062 1.0 30.9 ? 89 CYS B SG 1 65 . B ATOM 459 N N . PRO B 1 66 ? -0.318 26.321 52.847 1.0 42.81 ? 90 PRO B N 1 66 . B ATOM 460 C CA . PRO B 1 66 ? 0.153 27.653 53.295 1.0 44.65 ? 90 PRO B CA 1 66 . B ATOM 461 C C . PRO B 1 66 ? 1.107 27.679 54.488 1.0 53.11 ? 90 PRO B C 1 66 . B ATOM 462 O O . PRO B 1 66 ? 1.830 28.663 54.667 1.0 54.11 ? 90 PRO B O 1 66 . B ATOM 463 C CB . PRO B 1 66 ? -1.142 28.407 53.603 1.0 45.99 ? 90 PRO B CB 1 66 . B ATOM 464 C CG . PRO B 1 66 ? -2.176 27.346 53.806 1.0 49.86 ? 90 PRO B CG 1 66 . B ATOM 465 C CD . PRO B 1 66 ? -1.792 26.244 52.879 1.0 45.12 ? 90 PRO B CD 1 66 . B ATOM 466 N N . THR B 1 67 ? 1.108 26.612 55.297 1.0 51.37 ? 91 THR B N 1 67 . B ATOM 467 C CA . THR B 1 67 ? 1.971 26.458 56.474 1.0 52.43 ? 91 THR B CA 1 67 . B ATOM 468 C C . THR B 1 67 ? 2.025 24.963 56.783 1.0 56.39 ? 91 THR B C 1 67 . B ATOM 469 O O . THR B 1 67 ? 0.983 24.302 56.720 1.0 55.12 ? 91 THR B O 1 67 . B ATOM 470 C CB . THR B 1 67 ? 1.384 27.262 57.664 1.0 64.36 ? 91 THR B CB 1 67 . B ATOM 471 O OG1 . THR B 1 67 ? 1.483 28.662 57.382 1.0 70.77 ? 91 THR B OG1 1 67 . B ATOM 472 C CG2 . THR B 1 67 ? 2.073 26.965 58.969 1.0 61.5 ? 91 THR B CG2 1 67 . B ATOM 473 N N . ASP B 1 68 ? 3.208 24.439 57.171 1.0 52.93 ? 92 ASP B N 1 68 . B ATOM 474 C CA . ASP B 1 68 ? 3.337 23.019 57.516 1.0 53.16 ? 92 ASP B CA 1 68 . B ATOM 475 C C . ASP B 1 68 ? 2.653 22.660 58.867 1.0 57.92 ? 92 ASP B C 1 68 . B ATOM 476 O O . ASP B 1 68 ? 2.705 21.501 59.296 1.0 58.1 ? 92 ASP B O 1 68 . B ATOM 477 C CB . ASP B 1 68 ? 4.806 22.561 57.463 1.0 54.87 ? 92 ASP B CB 1 68 . B ATOM 478 C CG . ASP B 1 68 ? 5.630 22.844 58.709 1.0 65.04 ? 92 ASP B CG 1 68 . B ATOM 479 O OD1 . ASP B 1 68 ? 5.474 23.948 59.295 1.0 64.87 ? 92 ASP B OD1 1 68 . B ATOM 480 O OD2 . ASP B 1 68 ? 6.434 21.969 59.093 1.0 69.39 ? 92 ASP B OD2 1 68 . B ATOM 481 N N . LEU B 1 69 ? 2.034 23.657 59.539 1.0 54.85 ? 93 LEU B N 1 69 . B ATOM 482 C CA . LEU B 1 69 ? 1.288 23.436 60.782 1.0 55.07 ? 93 LEU B CA 1 69 . B ATOM 483 C C . LEU B 1 69 ? -0.133 23.087 60.405 1.0 58.47 ? 93 LEU B C 1 69 . B ATOM 484 O O . LEU B 1 69 ? -0.820 22.423 61.183 1.0 58.61 ? 93 LEU B O 1 69 . B ATOM 485 C CB . LEU B 1 69 ? 1.291 24.661 61.711 1.0 55.38 ? 93 LEU B CB 1 69 . B ATOM 486 C CG . LEU B 1 69 ? 2.650 25.157 62.222 1.0 60.35 ? 93 LEU B CG 1 69 . B ATOM 487 C CD1 . LEU B 1 69 ? 2.451 26.319 63.148 1.0 60.47 ? 93 LEU B CD1 1 69 . B ATOM 488 C CD2 . LEU B 1 69 ? 3.422 24.055 62.945 1.0 63.18 ? 93 LEU B CD2 1 69 . B ATOM 489 N N . ALA B 1 70 ? -0.564 23.509 59.184 1.0 53.45 ? 94 ALA B N 1 70 . B ATOM 490 C CA . ALA B 1 70 ? -1.888 23.202 58.629 1.0 51.86 ? 94 ALA B CA 1 70 . B ATOM 491 C C . ALA B 1 70 ? -1.819 21.817 57.981 1.0 54.41 ? 94 ALA B C 1 70 . B ATOM 492 O O . ALA B 1 70 ? -2.076 21.669 56.797 1.0 51.16 ? 94 ALA B O 1 70 . B ATOM 493 C CB . ALA B 1 70 ? -2.294 24.256 57.602 1.0 52.01 ? 94 ALA B CB 1 70 . B ATOM 494 N N . THR B 1 71 ? -1.420 20.805 58.765 1.0 52.87 ? 95 THR B N 1 71 . B ATOM 495 C CA . THR B 1 71 ? -1.267 19.418 58.321 1.0 73.54 ? 95 THR B CA 1 71 . B ATOM 496 C C . THR B 1 71 ? -1.977 18.537 59.341 1.0 92.07 ? 95 THR B C 1 71 . B ATOM 497 O O . THR B 1 71 ? -1.908 17.316 59.289 1.0 51.39 ? 95 THR B O 1 71 . B ATOM 498 C CB . THR B 1 71 ? 0.230 19.055 58.196 1.0 79.79 ? 95 THR B CB 1 71 . B ATOM 499 O OG1 . THR B 1 71 ? 0.849 19.213 59.474 1.0 78.81 ? 95 THR B OG1 1 71 . B ATOM 500 C CG2 . THR B 1 71 ? 0.972 19.891 57.140 1.0 78.27 ? 95 THR B CG2 1 71 . B HETATM 501 O O22 . P33 O 5 . ? 1.286 8.128 39.503 1.0 63.58 ? 101 P33 O O22 1 101 . B HETATM 502 C C21 . P33 O 5 . ? 0.750 8.901 40.580 1.0 63.25 ? 101 P33 O C21 1 101 . B HETATM 503 C C20 . P33 O 5 . ? 0.053 10.135 40.038 1.0 62.96 ? 101 P33 O C20 1 101 . B HETATM 504 O O19 . P33 O 5 . ? -0.173 11.029 41.125 1.0 63.62 ? 101 P33 O O19 1 101 . B HETATM 505 C C18 . P33 O 5 . ? -0.902 12.170 40.705 1.0 62.22 ? 101 P33 O C18 1 101 . B HETATM 506 C C17 . P33 O 5 . ? -2.100 12.499 41.590 1.0 63.4 ? 101 P33 O C17 1 101 . B HETATM 507 O O16 . P33 O 5 . ? -2.511 13.867 41.421 1.0 64.76 ? 101 P33 O O16 1 101 . B HETATM 508 C C15 . P33 O 5 . ? -2.966 14.095 40.086 1.0 60.34 ? 101 P33 O C15 1 101 . B HETATM 509 C C14 . P33 O 5 . ? -3.097 15.574 39.856 1.0 56.26 ? 101 P33 O C14 1 101 . B HETATM 510 O O13 . P33 O 5 . ? -2.162 16.156 38.939 1.0 47.68 ? 101 P33 O O13 1 101 . B HETATM 511 C C12 . P33 O 5 . ? -2.767 16.591 37.719 1.0 53.03 ? 101 P33 O C12 1 101 . B HETATM 512 C C11 . P33 O 5 . ? -3.342 17.992 37.833 1.0 55.85 ? 101 P33 O C11 1 101 . B HETATM 513 O O10 . P33 O 5 . ? -4.466 18.007 38.713 1.0 59.86 ? 101 P33 O O10 1 101 . B HETATM 514 C C9 . P33 O 5 . ? -4.139 18.598 39.975 1.0 61.53 ? 101 P33 O C9 1 101 . B HETATM 515 C C8 . P33 O 5 . ? -5.366 18.626 40.882 1.0 63.02 ? 101 P33 O C8 1 101 . B HETATM 516 O O7 . P33 O 5 . ? -5.091 18.360 42.256 1.0 64.69 ? 101 P33 O O7 1 101 . B HETATM 517 C C6 . P33 O 5 . ? -4.262 17.220 42.450 1.0 64.34 ? 101 P33 O C6 1 101 . B HETATM 518 C C5 . P33 O 5 . ? -3.510 17.353 43.746 1.0 63.46 ? 101 P33 O C5 1 101 . B HETATM 519 O O4 . P33 O 5 . ? -2.882 16.096 44.007 1.0 67.83 ? 101 P33 O O4 1 101 . B HETATM 520 C C3 . P33 O 5 . ? -2.868 15.778 45.399 1.0 68.59 ? 101 P33 O C3 1 101 . B HETATM 521 C C2 . P33 O 5 . ? -2.182 16.893 46.179 1.0 70.53 ? 101 P33 O C2 1 101 . B HETATM 522 O O1 . P33 O 5 . ? -0.902 17.150 45.600 1.0 69.85 ? 101 P33 O O1 1 101 . B HETATM 523 C C1 . EDO P 2 . ? -0.079 20.998 19.268 1.0 46.6 ? 102 EDO P C1 1 102 . B HETATM 524 O O1 . EDO P 2 . ? -1.177 21.161 18.398 1.0 50.32 ? 102 EDO P O1 1 102 . B HETATM 525 C C2 . EDO P 2 . ? -0.636 20.482 20.603 1.0 42.29 ? 102 EDO P C2 1 102 . B HETATM 526 O O2 . EDO P 2 . ? -1.401 21.500 21.185 1.0 41.57 ? 102 EDO P O2 1 102 . B HETATM 527 C C1 . PEG Q 3 . ? -2.758 17.130 21.495 1.0 52.74 ? 103 PEG Q C1 1 103 . B HETATM 528 O O1 . PEG Q 3 . ? -3.840 18.019 21.786 1.0 56.88 ? 103 PEG Q O1 1 103 . B HETATM 529 C C2 . PEG Q 3 . ? -1.937 16.884 22.751 1.0 48.62 ? 103 PEG Q C2 1 103 . B HETATM 530 O O2 . PEG Q 3 . ? -1.596 15.512 22.867 1.0 46.44 ? 103 PEG Q O2 1 103 . B HETATM 531 C C3 . PEG Q 3 . ? -2.082 14.948 24.088 1.0 44.65 ? 103 PEG Q C3 1 103 . B HETATM 532 C C4 . PEG Q 3 . ? -2.471 13.489 23.908 1.0 45.38 ? 103 PEG Q C4 1 103 . B HETATM 533 O O4 . PEG Q 3 . ? -3.795 13.264 24.412 1.0 47.97 ? 103 PEG Q O4 1 103 . B HETATM 534 C C1 . PEG R 3 . ? -2.303 19.073 49.064 1.0 48.28 ? 104 PEG R C1 1 104 . B HETATM 535 O O1 . PEG R 3 . ? -2.205 17.949 49.949 1.0 53.77 ? 104 PEG R O1 1 104 . B HETATM 536 C C2 . PEG R 3 . ? -1.367 20.205 49.476 1.0 48.11 ? 104 PEG R C2 1 104 . B HETATM 537 O O2 . PEG R 3 . ? 0.011 19.859 49.316 1.0 50.43 ? 104 PEG R O2 1 104 . B HETATM 538 C C3 . PEG R 3 . ? 0.644 19.713 50.582 1.0 50.31 ? 104 PEG R C3 1 104 . B HETATM 539 C C4 . PEG R 3 . ? 2.146 19.902 50.508 1.0 53.21 ? 104 PEG R C4 1 104 . B HETATM 540 O O4 . PEG R 3 . ? 2.658 19.441 51.765 1.0 55.17 ? 104 PEG R O4 1 104 . B HETATM 541 C C1 . PEG S 3 . ? 2.160 25.519 38.733 1.0 45.75 ? 105 PEG S C1 1 105 . B HETATM 542 O O1 . PEG S 3 . ? 2.203 24.471 39.728 1.0 42.03 ? 105 PEG S O1 1 105 . B HETATM 543 C C2 . PEG S 3 . ? 2.864 25.219 37.425 1.0 50.36 ? 105 PEG S C2 1 105 . B HETATM 544 O O2 . PEG S 3 . ? 3.071 26.464 36.732 1.0 55.11 ? 105 PEG S O2 1 105 . B HETATM 545 C C3 . PEG S 3 . ? 4.218 26.440 35.887 1.0 57.76 ? 105 PEG S C3 1 105 . B HETATM 546 C C4 . PEG S 3 . ? 5.273 27.390 36.444 1.0 61.33 ? 105 PEG S C4 1 105 . B HETATM 547 O O4 . PEG S 3 . ? 6.439 27.335 35.613 1.0 62.96 ? 105 PEG S O4 1 105 . B HETATM 548 C C1 . PEG T 3 . ? -3.129 15.836 28.120 1.0 60.18 ? 106 PEG T C1 1 106 . B HETATM 549 O O1 . PEG T 3 . ? -3.897 15.085 29.065 1.0 61.46 ? 106 PEG T O1 1 106 . B HETATM 550 C C2 . PEG T 3 . ? -3.991 16.194 26.919 1.0 60.84 ? 106 PEG T C2 1 106 . B HETATM 551 O O2 . PEG T 3 . ? -4.253 17.596 26.912 1.0 62.08 ? 106 PEG T O2 1 106 . B HETATM 552 C C3 . PEG T 3 . ? -3.930 18.206 25.665 1.0 61.77 ? 106 PEG T C3 1 106 . B HETATM 553 C C4 . PEG T 3 . ? -5.175 18.821 25.036 1.0 62.24 ? 106 PEG T C4 1 106 . B HETATM 554 O O4 . PEG T 3 . ? -5.725 19.800 25.926 1.0 63.04 ? 106 PEG T O4 1 106 . B HETATM 555 C C1 . PEG U 3 . ? -6.131 26.629 23.835 1.0 69.65 ? 107 PEG U C1 1 107 . B HETATM 556 O O1 . PEG U 3 . ? -6.162 27.833 23.058 1.0 71.55 ? 107 PEG U O1 1 107 . B HETATM 557 C C2 . PEG U 3 . ? -5.368 25.563 23.056 1.0 66.58 ? 107 PEG U C2 1 107 . B HETATM 558 O O2 . PEG U 3 . ? -5.976 24.285 23.261 1.0 63.37 ? 107 PEG U O2 1 107 . B HETATM 559 C C3 . PEG U 3 . ? -5.044 23.235 23.546 1.0 57.29 ? 107 PEG U C3 1 107 . B HETATM 560 C C4 . PEG U 3 . ? -4.536 23.434 24.970 1.0 50.45 ? 107 PEG U C4 1 107 . B HETATM 561 O O4 . PEG U 3 . ? -4.401 22.233 25.712 1.0 43.94 ? 107 PEG U O4 1 107 . B HETATM 562 O O1 A PG4 V 4 . ? -1.469 29.729 34.111 0.5 44.21 ? 108 PG4 V O1 1 108 . B HETATM 563 O O1 B PG4 V 4 . ? -3.769 28.785 31.727 0.5 42.6 ? 108 PG4 V O1 1 108 . B HETATM 564 C C1 A PG4 V 4 . ? -2.597 29.358 33.320 0.5 49.05 ? 108 PG4 V C1 1 108 . B HETATM 565 C C1 B PG4 V 4 . ? -2.901 29.062 32.832 0.5 47.4 ? 108 PG4 V C1 1 108 . B HETATM 566 C C2 A PG4 V 4 . ? -3.511 30.566 33.224 0.5 53.21 ? 108 PG4 V C2 1 108 . B HETATM 567 C C2 B PG4 V 4 . ? -3.203 30.430 33.425 0.5 52.2 ? 108 PG4 V C2 1 108 . B HETATM 568 O O2 A PG4 V 4 . ? -4.352 30.587 34.368 0.5 56.09 ? 108 PG4 V O2 1 108 . B HETATM 569 O O2 B PG4 V 4 . ? -4.287 30.323 34.336 0.5 55.65 ? 108 PG4 V O2 1 108 . B HETATM 570 C C3 A PG4 V 4 . ? -5.468 31.451 34.194 0.5 58.01 ? 108 PG4 V C3 1 108 . B HETATM 571 C C3 B PG4 V 4 . ? -5.264 31.341 34.152 0.5 57.99 ? 108 PG4 V C3 1 108 . B HETATM 572 C C4 A PG4 V 4 . ? -6.735 30.648 34.442 0.5 60.1 ? 108 PG4 V C4 1 108 . B HETATM 573 C C4 B PG4 V 4 . ? -6.621 30.739 34.481 0.5 60.21 ? 108 PG4 V C4 1 108 . B HETATM 574 O O3 A PG4 V 4 . ? -6.664 30.127 35.760 0.5 60.78 ? 108 PG4 V O3 1 108 . B HETATM 575 O O3 B PG4 V 4 . ? -6.551 30.093 35.749 0.5 60.83 ? 108 PG4 V O3 1 108 . B HETATM 576 C C5 A PG4 V 4 . ? -7.459 28.960 35.887 0.5 62.32 ? 108 PG4 V C5 1 108 . B HETATM 577 C C5 B PG4 V 4 . ? -7.605 29.149 35.884 0.5 62.26 ? 108 PG4 V C5 1 108 . B HETATM 578 C C6 A PG4 V 4 . ? -7.611 28.637 37.357 0.5 63.23 ? 108 PG4 V C6 1 108 . B HETATM 579 C C6 B PG4 V 4 . ? -7.540 28.410 37.210 0.5 62.96 ? 108 PG4 V C6 1 108 . B HETATM 580 O O4 A PG4 V 4 . ? -6.404 28.934 38.059 0.5 63.86 ? 108 PG4 V O4 1 108 . B HETATM 581 O O4 B PG4 V 4 . ? -6.849 29.152 38.219 0.5 63.37 ? 108 PG4 V O4 1 108 . B HETATM 582 C C7 A PG4 V 4 . ? -6.138 27.947 39.045 0.5 63.52 ? 108 PG4 V C7 1 108 . B HETATM 583 C C7 B PG4 V 4 . ? -6.825 28.466 39.467 0.5 62.78 ? 108 PG4 V C7 1 108 . B HETATM 584 C C8 A PG4 V 4 . ? -7.148 28.099 40.171 0.5 63.26 ? 108 PG4 V C8 1 108 . B HETATM 585 C C8 B PG4 V 4 . ? -5.615 27.547 39.513 0.5 62.8 ? 108 PG4 V C8 1 108 . B HETATM 586 O O5 A PG4 V 4 . ? -6.564 28.897 41.196 0.5 62.98 ? 108 PG4 V O5 1 108 . B HETATM 587 O O5 B PG4 V 4 . ? -5.669 26.556 38.476 0.5 61.92 ? 108 PG4 V O5 1 108 . B HETATM 588 O O1 . PG4 W 4 . ? -5.956 26.991 12.558 1.0 72.16 ? 109 PG4 W O1 1 109 . B HETATM 589 C C1 . PG4 W 4 . ? -5.237 25.757 12.550 1.0 72.5 ? 109 PG4 W C1 1 109 . B HETATM 590 C C2 . PG4 W 4 . ? -5.445 25.068 13.892 1.0 73.46 ? 109 PG4 W C2 1 109 . B HETATM 591 O O2 . PG4 W 4 . ? -4.184 24.889 14.536 1.0 73.81 ? 109 PG4 W O2 1 109 . B HETATM 592 C C3 . PG4 W 4 . ? -3.895 23.516 14.818 1.0 74.53 ? 109 PG4 W C3 1 109 . B HETATM 593 C C4 . PG4 W 4 . ? -2.835 22.997 13.847 1.0 75.69 ? 109 PG4 W C4 1 109 . B HETATM 594 O O3 . PG4 W 4 . ? -1.830 22.265 14.549 1.0 76.27 ? 109 PG4 W O3 1 109 . B HETATM 595 C C5 . PG4 W 4 . ? -1.057 21.450 13.667 1.0 76.23 ? 109 PG4 W C5 1 109 . B HETATM 596 C C6 . PG4 W 4 . ? -1.088 19.990 14.123 1.0 75.85 ? 109 PG4 W C6 1 109 . B HETATM 597 O O4 . PG4 W 4 . ? -2.342 19.388 13.792 1.0 75.79 ? 109 PG4 W O4 1 109 . B HETATM 598 C C7 . PG4 W 4 . ? -2.217 18.425 12.742 1.0 74.87 ? 109 PG4 W C7 1 109 . B HETATM 599 C C8 . PG4 W 4 . ? -3.571 18.149 12.100 1.0 73.86 ? 109 PG4 W C8 1 109 . B HETATM 600 O O5 . PG4 W 4 . ? -3.375 17.745 10.741 1.0 74.31 ? 109 PG4 W O5 1 109 . B HETATM 601 O O1 . PG4 X 4 . ? 8.256 18.278 10.990 1.0 81.82 ? 110 PG4 X O1 1 110 . B HETATM 602 C C1 . PG4 X 4 . ? 9.280 18.249 11.992 1.0 81.91 ? 110 PG4 X C1 1 110 . B HETATM 603 C C2 . PG4 X 4 . ? 8.726 17.640 13.276 1.0 81.3 ? 110 PG4 X C2 1 110 . B HETATM 604 O O2 . PG4 X 4 . ? 7.648 18.445 13.757 1.0 80.25 ? 110 PG4 X O2 1 110 . B HETATM 605 C C3 . PG4 X 4 . ? 6.484 17.679 14.080 1.0 77.17 ? 110 PG4 X C3 1 110 . B HETATM 606 C C4 . PG4 X 4 . ? 5.246 18.540 13.838 1.0 73.8 ? 110 PG4 X C4 1 110 . B HETATM 607 O O3 . PG4 X 4 . ? 4.201 18.228 14.766 1.0 70.09 ? 110 PG4 X O3 1 110 . B HETATM 608 C C5 . PG4 X 4 . ? 4.032 19.220 15.789 1.0 64.36 ? 110 PG4 X C5 1 110 . B HETATM 609 C C6 . PG4 X 4 . ? 2.734 20.015 15.605 1.0 59.46 ? 110 PG4 X C6 1 110 . B HETATM 610 O O4 . PG4 X 4 . ? 2.733 21.250 16.353 1.0 52.96 ? 110 PG4 X O4 1 110 . B HETATM 611 C C7 . PG4 X 4 . ? 3.431 22.318 15.711 1.0 48.77 ? 110 PG4 X C7 1 110 . B HETATM 612 C C8 . PG4 X 4 . ? 2.529 23.366 15.051 1.0 48.29 ? 110 PG4 X C8 1 110 . B HETATM 613 O O5 . PG4 X 4 . ? 3.279 24.588 14.906 1.0 43.89 ? 110 PG4 X O5 1 110 . B HETATM 614 O O . HOH Z 6 . ? -2.638 16.429 57.099 1.0 69.23 ? 201 HOH Z O 1 201 . B HETATM 615 O O . HOH Z 6 . ? -3.581 28.145 22.278 1.0 37.97 ? 202 HOH Z O 1 202 . B HETATM 616 O O . HOH Z 6 . ? 3.583 35.731 15.743 1.0 47.96 ? 203 HOH Z O 1 203 . B HETATM 617 O O . HOH Z 6 . ? 1.793 25.407 42.698 1.0 46.64 ? 204 HOH Z O 1 204 . B HETATM 618 O O . HOH Z 6 . ? 8.613 13.572 46.798 1.0 46.0 ? 205 HOH Z O 1 205 . B HETATM 619 O O . HOH Z 6 . ? 8.375 33.707 15.187 1.0 40.99 ? 206 HOH Z O 1 206 . B HETATM 620 O O . HOH Z 6 . ? -8.004 27.595 43.111 1.0 39.72 ? 207 HOH Z O 1 207 . B HETATM 621 O O . HOH Z 6 . ? 15.232 22.018 19.396 1.0 53.15 ? 208 HOH Z O 1 208 . B HETATM 622 O O . HOH Z 6 . ? 9.597 33.573 26.226 1.0 50.4 ? 209 HOH Z O 1 209 . B #