data_3neg-assembly-2 # 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 . SER B 1 11 ? -57.886 68.372 17.852 1.0 151.79 ? 9 SER B N 1 11 . B ATOM 2 C CA . SER B 1 11 ? -57.502 68.362 16.446 1.0 150.86 ? 9 SER B CA 1 11 . B ATOM 3 C C . SER B 1 11 ? -56.516 67.232 16.149 1.0 151.49 ? 9 SER B C 1 11 . B ATOM 4 O O . SER B 1 11 ? -55.326 67.485 15.943 1.0 150.2 ? 9 SER B O 1 11 . B ATOM 5 C CB . SER B 1 11 ? -56.913 69.710 16.044 1.0 149.67 ? 9 SER B CB 1 11 . B ATOM 6 N N . ASP B 1 12 ? -57.026 65.995 16.147 1.0 152.34 ? 10 ASP B N 1 12 . B ATOM 7 C CA . ASP B 1 12 ? -56.266 64.787 15.775 1.0 149.28 ? 10 ASP B CA 1 12 . B ATOM 8 C C . ASP B 1 12 ? -56.883 63.473 16.311 1.0 147.38 ? 10 ASP B C 1 12 . B ATOM 9 O O . ASP B 1 12 ? -56.754 63.167 17.500 1.0 145.98 ? 10 ASP B O 1 12 . B ATOM 10 C CB . ASP B 1 12 ? -54.789 64.897 16.196 1.0 147.35 ? 10 ASP B CB 1 12 . B ATOM 11 C CG . ASP B 1 12 ? -54.609 65.091 17.694 1.0 146.57 ? 10 ASP B CG 1 12 . B ATOM 12 O OD1 . ASP B 1 12 ? -53.494 64.824 18.194 1.0 145.29 ? 10 ASP B OD1 1 12 . B ATOM 13 O OD2 . ASP B 1 12 ? -55.575 65.507 18.370 1.0 147.18 ? 10 ASP B OD2 1 12 . B ATOM 14 N N . LEU B 1 13 ? -57.543 62.691 15.450 1.0 146.08 ? 11 LEU B N 1 13 . B ATOM 15 C CA . LEU B 1 13 ? -57.754 63.003 14.031 1.0 142.96 ? 11 LEU B CA 1 13 . B ATOM 16 C C . LEU B 1 13 ? -59.231 63.330 13.802 1.0 143.95 ? 11 LEU B C 1 13 . B ATOM 17 O O . LEU B 1 13 ? -60.107 62.583 14.238 1.0 143.35 ? 11 LEU B O 1 13 . B ATOM 18 C CB . LEU B 1 13 ? -57.351 61.807 13.151 1.0 137.14 ? 11 LEU B CB 1 13 . B ATOM 19 C CG . LEU B 1 13 ? -57.083 62.016 11.650 1.0 131.19 ? 11 LEU B CG 1 13 . B ATOM 20 C CD1 . LEU B 1 13 ? -55.829 62.858 11.430 1.0 128.53 ? 11 LEU B CD1 1 13 . B ATOM 21 C CD2 . LEU B 1 13 ? -56.964 60.682 10.913 1.0 126.14 ? 11 LEU B CD2 1 13 . B ATOM 22 N N . THR B 1 14 ? -59.498 64.438 13.113 1.0 145.73 ? 12 THR B N 1 14 . B ATOM 23 C CA . THR B 1 14 ? -60.861 64.957 12.931 1.0 147.44 ? 12 THR B CA 1 14 . B ATOM 24 C C . THR B 1 14 ? -61.832 63.941 12.314 1.0 145.12 ? 12 THR B C 1 14 . B ATOM 25 O O . THR B 1 14 ? -61.414 62.916 11.777 1.0 141.89 ? 12 THR B O 1 14 . B ATOM 26 C CB . THR B 1 14 ? -60.855 66.261 12.086 1.0 159.32 ? 12 THR B CB 1 14 . B ATOM 27 O OG1 . THR B 1 14 ? -59.890 67.175 12.623 1.0 159.9 ? 12 THR B OG1 1 14 . B ATOM 28 C CG2 . THR B 1 14 ? -62.230 66.925 12.081 1.0 161.53 ? 12 THR B CG2 1 14 . B ATOM 29 N N . GLN B 1 15 ? -63.128 64.234 12.404 1.0 146.87 ? 13 GLN B N 1 15 . B ATOM 30 C CA . GLN B 1 15 ? -64.166 63.353 11.869 1.0 146.03 ? 13 GLN B CA 1 15 . B ATOM 31 C C . GLN B 1 15 ? -64.366 63.540 10.359 1.0 146.48 ? 13 GLN B C 1 15 . B ATOM 32 O O . GLN B 1 15 ? -64.494 62.559 9.621 1.0 143.86 ? 13 GLN B O 1 15 . B ATOM 33 C CB . GLN B 1 15 ? -65.490 63.562 12.617 1.0 146.08 ? 13 GLN B CB 1 15 . B ATOM 34 C CG . GLN B 1 15 ? -66.580 62.539 12.284 1.0 143.15 ? 13 GLN B CG 1 15 . B ATOM 35 C CD . GLN B 1 15 ? -66.369 61.188 12.963 1.0 137.17 ? 13 GLN B CD 1 15 . B ATOM 36 O OE1 . GLN B 1 15 ? -67.114 60.236 12.720 1.0 135.62 ? 13 GLN B OE1 1 15 . B ATOM 37 N NE2 . GLN B 1 15 ? -65.355 61.103 13.818 1.0 132.97 ? 13 GLN B NE2 1 15 . B ATOM 38 N N . ASP B 1 16 ? -64.396 64.794 9.906 1.0 148.53 ? 14 ASP B N 1 16 . B ATOM 39 C CA . ASP B 1 16 ? -64.463 65.090 8.476 1.0 147.76 ? 14 ASP B CA 1 16 . B ATOM 40 C C . ASP B 1 16 ? -63.380 64.293 7.774 1.0 143.56 ? 14 ASP B C 1 16 . B ATOM 41 O O . ASP B 1 16 ? -63.522 63.908 6.610 1.0 143.3 ? 14 ASP B O 1 16 . B ATOM 42 C CB . ASP B 1 16 ? -64.228 66.580 8.205 1.0 149.21 ? 14 ASP B CB 1 16 . B ATOM 43 C CG . ASP B 1 16 ? -65.199 67.475 8.949 1.0 151.85 ? 14 ASP B CG 1 16 . B ATOM 44 O OD1 . ASP B 1 16 ? -65.666 68.464 8.341 1.0 153.19 ? 14 ASP B OD1 1 16 . B ATOM 45 O OD2 . ASP B 1 16 ? -65.492 67.197 10.135 1.0 151.46 ? 14 ASP B OD2 1 16 . B ATOM 46 N N . GLU B 1 17 ? -62.295 64.055 8.509 1.0 139.47 ? 15 GLU B N 1 17 . B ATOM 47 C CA . GLU B 1 17 ? -61.121 63.366 7.992 1.0 135.18 ? 15 GLU B CA 1 17 . B ATOM 48 C C . GLU B 1 17 ? -61.290 61.846 7.961 1.0 134.33 ? 15 GLU B C 1 17 . B ATOM 49 O O . GLU B 1 17 ? -61.107 61.226 6.914 1.0 135.82 ? 15 GLU B O 1 17 . B ATOM 50 C CB . GLU B 1 17 ? -59.880 63.749 8.803 1.0 132.98 ? 15 GLU B CB 1 17 . B ATOM 51 C CG . GLU B 1 17 ? -59.539 65.232 8.753 1.0 134.42 ? 15 GLU B CG 1 17 . B ATOM 52 C CD . GLU B 1 17 ? -58.324 65.588 9.596 1.0 134.36 ? 15 GLU B CD 1 17 . B ATOM 53 O OE1 . GLU B 1 17 ? -58.074 64.905 10.611 1.0 134.34 ? 15 GLU B OE1 1 17 . B ATOM 54 O OE2 . GLU B 1 17 ? -57.617 66.557 9.250 1.0 134.31 ? 15 GLU B OE2 1 17 . B ATOM 55 N N . PHE B 1 18 ? -61.637 61.251 9.101 1.0 132.59 ? 16 PHE B N 1 18 . B ATOM 56 C CA . PHE B 1 18 ? -61.835 59.805 9.180 1.0 129.11 ? 16 PHE B CA 1 18 . B ATOM 57 C C . PHE B 1 18 ? -62.614 59.273 7.962 1.0 128.18 ? 16 PHE B C 1 18 . B ATOM 58 O O . PHE B 1 18 ? -62.355 58.169 7.485 1.0 128.69 ? 16 PHE B O 1 18 . B ATOM 59 C CB . PHE B 1 18 ? -62.562 59.415 10.479 1.0 130.47 ? 16 PHE B CB 1 18 . B ATOM 60 C CG . PHE B 1 18 ? -61.645 59.130 11.658 1.0 132.09 ? 16 PHE B CG 1 18 . B ATOM 61 C CD1 . PHE B 1 18 ? -60.787 58.039 11.653 1.0 131.38 ? 16 PHE B CD1 1 18 . B ATOM 62 C CD2 . PHE B 1 18 ? -61.682 59.928 12.798 1.0 133.95 ? 16 PHE B CD2 1 18 . B ATOM 63 C CE1 . PHE B 1 18 ? -59.958 57.770 12.755 1.0 130.02 ? 16 PHE B CE1 1 18 . B ATOM 64 C CE2 . PHE B 1 18 ? -60.855 59.662 13.899 1.0 131.39 ? 16 PHE B CE2 1 18 . B ATOM 65 C CZ . PHE B 1 18 ? -59.996 58.586 13.874 1.0 128.91 ? 16 PHE B CZ 1 18 . B ATOM 66 N N . THR B 1 19 ? -63.553 60.069 7.452 1.0 125.97 ? 17 THR B N 1 19 . B ATOM 67 C CA . THR B 1 19 ? -64.468 59.627 6.390 1.0 121.38 ? 17 THR B CA 1 19 . B ATOM 68 C C . THR B 1 19 ? -63.830 59.340 5.021 1.0 113.62 ? 17 THR B C 1 19 . B ATOM 69 O O . THR B 1 19 ? -63.988 58.250 4.463 1.0 109.0 ? 17 THR B O 1 19 . B ATOM 70 C CB . THR B 1 19 ? -65.637 60.633 6.212 1.0 125.85 ? 17 THR B CB 1 19 . B ATOM 71 O OG1 . THR B 1 19 ? -66.764 60.202 6.988 1.0 123.08 ? 17 THR B OG1 1 19 . B ATOM 72 C CG2 . THR B 1 19 ? -66.045 60.758 4.738 1.0 128.52 ? 17 THR B CG2 1 19 . B ATOM 73 N N . GLN B 1 20 ? -63.120 60.320 4.479 1.0 111.89 ? 18 GLN B N 1 20 . B ATOM 74 C CA . GLN B 1 20 ? -62.633 60.229 3.106 1.0 111.71 ? 18 GLN B CA 1 20 . B ATOM 75 C C . GLN B 1 20 ? -61.437 59.279 2.976 1.0 103.7 ? 18 GLN B C 1 20 . B ATOM 76 O O . GLN B 1 20 ? -61.243 58.614 1.938 1.0 101.24 ? 18 GLN B O 1 20 . B ATOM 77 C CB . GLN B 1 20 ? -62.277 61.626 2.602 1.0 114.66 ? 18 GLN B CB 1 20 . B ATOM 78 C CG . GLN B 1 20 ? -63.387 62.636 2.838 1.0 119.75 ? 18 GLN B CG 1 20 . B ATOM 79 C CD . GLN B 1 20 ? -62.940 64.064 2.582 1.0 124.4 ? 18 GLN B CD 1 20 . B ATOM 80 O OE1 . GLN B 1 20 ? -63.609 65.018 2.990 1.0 129.68 ? 18 GLN B OE1 1 20 . B ATOM 81 N NE2 . GLN B 1 20 ? -61.800 64.221 1.908 1.0 121.39 ? 18 GLN B NE2 1 20 . B ATOM 82 N N . LEU B 1 21 ? -60.655 59.217 4.050 1.0 93.4 ? 19 LEU B N 1 21 . B ATOM 83 C CA . LEU B 1 21 ? -59.455 58.401 4.097 1.0 84.13 ? 19 LEU B CA 1 21 . B ATOM 84 C C . LEU B 1 21 ? -59.764 56.916 4.128 1.0 82.66 ? 19 LEU B C 1 21 . B ATOM 85 O O . LEU B 1 21 ? -58.908 56.092 3.812 1.0 80.17 ? 19 LEU B O 1 21 . B ATOM 86 C CB . LEU B 1 21 ? -58.633 58.749 5.333 1.0 81.16 ? 19 LEU B CB 1 21 . B ATOM 87 C CG . LEU B 1 21 ? -58.200 60.202 5.473 1.0 82.89 ? 19 LEU B CG 1 21 . B ATOM 88 C CD1 . LEU B 1 21 ? -57.043 60.284 6.439 1.0 81.59 ? 19 LEU B CD1 1 21 . B ATOM 89 C CD2 . LEU B 1 21 ? -57.796 60.769 4.121 1.0 84.44 ? 19 LEU B CD2 1 21 . B ATOM 90 N N . SER B 1 22 ? -60.981 56.569 4.525 1.0 86.1 ? 20 SER B N 1 22 . B ATOM 91 C CA . SER B 1 22 ? -61.283 55.176 4.804 1.0 88.74 ? 20 SER B CA 1 22 . B ATOM 92 C C . SER B 1 22 ? -61.006 54.326 3.588 1.0 86.3 ? 20 SER B C 1 22 . B ATOM 93 O O . SER B 1 22 ? -60.229 53.370 3.652 1.0 84.3 ? 20 SER B O 1 22 . B ATOM 94 C CB . SER B 1 22 ? -62.732 54.993 5.246 1.0 93.94 ? 20 SER B CB 1 22 . B ATOM 95 O OG . SER B 1 22 ? -62.891 53.724 5.864 1.0 96.11 ? 20 SER B OG 1 22 . B ATOM 96 N N . GLN B 1 23 ? -61.651 54.693 2.484 1.0 85.94 ? 21 GLN B N 1 23 . B ATOM 97 C CA . GLN B 1 23 ? -61.548 53.958 1.236 1.0 83.85 ? 21 GLN B CA 1 23 . B ATOM 98 C C . GLN B 1 23 ? -60.098 53.730 0.886 1.0 75.94 ? 21 GLN B C 1 23 . B ATOM 99 O O . GLN B 1 23 ? -59.665 52.596 0.662 1.0 73.97 ? 21 GLN B O 1 23 . B ATOM 100 C CB . GLN B 1 23 ? -62.220 54.747 0.117 1.0 92.97 ? 21 GLN B CB 1 23 . B ATOM 101 C CG . GLN B 1 23 ? -63.722 54.505 -0.017 1.0 102.63 ? 21 GLN B CG 1 23 . B ATOM 102 C CD . GLN B 1 23 ? -64.051 53.207 -0.754 1.0 106.96 ? 21 GLN B CD 1 23 . B ATOM 103 O OE1 . GLN B 1 23 ? -64.719 53.217 -1.800 1.0 108.09 ? 21 GLN B OE1 1 23 . B ATOM 104 N NE2 . GLN B 1 23 ? -63.573 52.084 -0.215 1.0 106.41 ? 21 GLN B NE2 1 23 . B ATOM 105 N N . SER B 1 24 ? -59.352 54.827 0.838 1.0 71.18 ? 22 SER B N 1 24 . B ATOM 106 C CA . SER B 1 24 ? -57.942 54.782 0.505 1.0 66.1 ? 22 SER B CA 1 24 . B ATOM 107 C C . SER B 1 24 ? -57.215 53.742 1.359 1.0 64.62 ? 22 SER B C 1 24 . B ATOM 108 O O . SER B 1 24 ? -56.529 52.873 0.828 1.0 64.63 ? 22 SER B O 1 24 . B ATOM 109 C CB . SER B 1 24 ? -57.335 56.171 0.677 1.0 68.99 ? 22 SER B CB 1 24 . B ATOM 110 O OG . SER B 1 24 ? -55.991 56.205 0.238 1.0 73.97 ? 22 SER B OG 1 24 . B ATOM 111 N N . ILE B 1 25 ? -57.399 53.818 2.678 1.0 63.9 ? 23 ILE B N 1 25 . B ATOM 112 C CA . ILE B 1 25 ? -56.805 52.868 3.631 1.0 62.73 ? 23 ILE B CA 1 25 . B ATOM 113 C C . ILE B 1 25 ? -57.085 51.374 3.347 1.0 62.12 ? 23 ILE B C 1 25 . B ATOM 114 O O . ILE B 1 25 ? -56.230 50.513 3.584 1.0 61.89 ? 23 ILE B O 1 25 . B ATOM 115 C CB . ILE B 1 25 ? -57.229 53.201 5.084 1.0 58.71 ? 23 ILE B CB 1 25 . B ATOM 116 C CG1 . ILE B 1 25 ? -56.812 54.630 5.442 1.0 63.25 ? 23 ILE B CG1 1 25 . B ATOM 117 C CG2 . ILE B 1 25 ? -56.623 52.205 6.076 1.0 49.66 ? 23 ILE B CG2 1 25 . B ATOM 118 C CD1 . ILE B 1 25 ? -57.294 55.100 6.797 1.0 62.37 ? 23 ILE B CD1 1 25 . B ATOM 119 N N . ALA B 1 26 ? -58.283 51.067 2.863 1.0 61.02 ? 24 ALA B N 1 26 . B ATOM 120 C CA . ALA B 1 26 ? -58.633 49.702 2.463 1.0 59.42 ? 24 ALA B CA 1 26 . B ATOM 121 C C . ALA B 1 26 ? -57.754 49.178 1.319 1.0 63.03 ? 24 ALA B C 1 26 . B ATOM 122 O O . ALA B 1 26 ? -57.339 48.003 1.316 1.0 64.55 ? 24 ALA B O 1 26 . B ATOM 123 C CB . ALA B 1 26 ? -60.090 49.642 2.055 1.0 52.88 ? 24 ALA B CB 1 26 . B ATOM 124 N N . GLU B 1 27 ? -57.485 50.045 0.342 1.0 59.19 ? 25 GLU B N 1 27 . B ATOM 125 C CA . GLU B 1 27 ? -56.732 49.628 -0.824 1.0 61.81 ? 25 GLU B CA 1 27 . B ATOM 126 C C . GLU B 1 27 ? -55.246 49.535 -0.517 1.0 64.31 ? 25 GLU B C 1 27 . B ATOM 127 O O . GLU B 1 27 ? -54.606 48.516 -0.816 1.0 68.51 ? 25 GLU B O 1 27 . B ATOM 128 C CB . GLU B 1 27 ? -56.994 50.561 -2.015 1.0 65.89 ? 25 GLU B CB 1 27 . B ATOM 129 C CG . GLU B 1 27 ? -56.186 50.236 -3.285 1.0 70.8 ? 25 GLU B CG 1 27 . B ATOM 130 C CD . GLU B 1 27 ? -56.695 50.941 -4.560 1.0 75.21 ? 25 GLU B CD 1 27 . B ATOM 131 O OE1 . GLU B 1 27 ? -57.830 51.475 -4.573 1.0 77.31 ? 25 GLU B OE1 1 27 . B ATOM 132 O OE2 . GLU B 1 27 ? -55.950 50.946 -5.565 1.0 73.94 ? 25 GLU B OE2 1 27 . B ATOM 133 N N . PHE B 1 28 ? -54.712 50.580 0.112 1.0 61.17 ? 26 PHE B N 1 28 . B ATOM 134 C CA . PHE B 1 28 ? -53.259 50.738 0.243 1.0 63.88 ? 26 PHE B CA 1 28 . B ATOM 135 C C . PHE B 1 28 ? -52.629 50.334 1.582 1.0 65.81 ? 26 PHE B C 1 28 . B ATOM 136 O O . PHE B 1 28 ? -51.500 49.836 1.598 1.0 65.38 ? 26 PHE B O 1 28 . B ATOM 137 C CB . PHE B 1 28 ? -52.832 52.163 -0.140 1.0 64.26 ? 26 PHE B CB 1 28 . B ATOM 138 C CG . PHE B 1 28 ? -53.190 52.534 -1.558 1.0 71.4 ? 26 PHE B CG 1 28 . B ATOM 139 C CD1 . PHE B 1 28 ? -52.474 52.016 -2.631 1.0 72.74 ? 26 PHE B CD1 1 28 . B ATOM 140 C CD2 . PHE B 1 28 ? -54.253 53.381 -1.820 1.0 72.99 ? 26 PHE B CD2 1 28 . B ATOM 141 C CE1 . PHE B 1 28 ? -52.811 52.341 -3.925 1.0 74.41 ? 26 PHE B CE1 1 28 . B ATOM 142 C CE2 . PHE B 1 28 ? -54.593 53.705 -3.116 1.0 74.23 ? 26 PHE B CE2 1 28 . B ATOM 143 C CZ . PHE B 1 28 ? -53.872 53.185 -4.169 1.0 75.04 ? 26 PHE B CZ 1 28 . B ATOM 144 N N . HIS B 1 29 ? -53.364 50.527 2.681 1.0 63.96 ? 27 HIS B N 1 29 . B ATOM 145 C CA . HIS B 1 29 ? -52.796 50.461 4.027 1.0 58.76 ? 27 HIS B CA 1 29 . B ATOM 146 C C . HIS B 1 29 ? -53.374 49.369 4.952 1.0 61.49 ? 27 HIS B C 1 29 . B ATOM 147 O O . HIS B 1 29 ? -53.354 49.512 6.163 1.0 62.86 ? 27 HIS B O 1 29 . B ATOM 148 C CB . HIS B 1 29 ? -53.005 51.793 4.724 1.0 53.42 ? 27 HIS B CB 1 29 . B ATOM 149 C CG . HIS B 1 29 ? -52.489 52.967 3.968 1.0 52.43 ? 27 HIS B CG 1 29 . B ATOM 150 N ND1 . HIS B 1 29 ? -51.153 53.137 3.679 1.0 54.62 ? 27 HIS B ND1 1 29 . B ATOM 151 C CD2 . HIS B 1 29 ? -53.119 54.066 3.494 1.0 52.29 ? 27 HIS B CD2 1 29 . B ATOM 152 C CE1 . HIS B 1 29 ? -50.984 54.278 3.035 1.0 53.48 ? 27 HIS B CE1 1 29 . B ATOM 153 N NE2 . HIS B 1 29 ? -52.161 54.864 2.913 1.0 54.08 ? 27 HIS B NE2 1 29 . B ATOM 154 N N . THR B 1 30 ? -53.892 48.284 4.407 1.0 58.7 ? 28 THR B N 1 30 . B ATOM 155 C CA . THR B 1 30 ? -54.460 47.252 5.249 1.0 51.81 ? 28 THR B CA 1 30 . B ATOM 156 C C . THR B 1 30 ? -53.691 45.966 5.044 1.0 55.75 ? 28 THR B C 1 30 . B ATOM 157 O O . THR B 1 30 ? -53.547 45.504 3.915 1.0 61.14 ? 28 THR B O 1 30 . B ATOM 158 C CB . THR B 1 30 ? -55.919 47.012 4.866 1.0 50.59 ? 28 THR B CB 1 30 . B ATOM 159 O OG1 . THR B 1 30 ? -56.671 48.213 5.068 1.0 53.79 ? 28 THR B OG1 1 30 . B ATOM 160 C CG2 . THR B 1 30 ? -56.527 45.875 5.666 1.0 47.41 ? 28 THR B CG2 1 30 . B ATOM 161 N N . TYR B 1 31 ? -53.207 45.373 6.128 1.0 54.69 ? 29 TYR B N 1 31 . B ATOM 162 C CA . TYR B 1 31 ? -52.499 44.109 6.021 1.0 53.83 ? 29 TYR B CA 1 31 . B ATOM 163 C C . TYR B 1 31 ? -53.086 43.031 6.907 1.0 58.0 ? 29 TYR B C 1 31 . B ATOM 164 O O . TYR B 1 31 ? -53.954 43.284 7.747 1.0 61.32 ? 29 TYR B O 1 31 . B ATOM 165 C CB . TYR B 1 31 ? -51.042 44.319 6.353 1.0 54.31 ? 29 TYR B CB 1 31 . B ATOM 166 C CG . TYR B 1 31 ? -50.495 45.547 5.681 1.0 60.04 ? 29 TYR B CG 1 31 . B ATOM 167 C CD1 . TYR B 1 31 ? -49.666 45.450 4.575 1.0 58.15 ? 29 TYR B CD1 1 31 . B ATOM 168 C CD2 . TYR B 1 31 ? -50.827 46.813 6.141 1.0 62.61 ? 29 TYR B CD2 1 31 . B ATOM 169 C CE1 . TYR B 1 31 ? -49.166 46.576 3.972 1.0 56.71 ? 29 TYR B CE1 1 31 . B ATOM 170 C CE2 . TYR B 1 31 ? -50.337 47.945 5.530 1.0 61.07 ? 29 TYR B CE2 1 31 . B ATOM 171 C CZ . TYR B 1 31 ? -49.508 47.820 4.448 1.0 58.42 ? 29 TYR B CZ 1 31 . B ATOM 172 O OH . TYR B 1 31 ? -49.016 48.942 3.839 1.0 60.05 ? 29 TYR B OH 1 31 . B ATOM 173 N N . GLN B 1 32 ? -52.608 41.814 6.702 1.0 58.86 ? 30 GLN B N 1 32 . B ATOM 174 C CA . GLN B 1 32 ? -53.017 40.692 7.520 1.0 60.3 ? 30 GLN B CA 1 32 . B ATOM 175 C C . GLN B 1 32 ? -52.064 40.616 8.713 1.0 65.85 ? 30 GLN B C 1 32 . B ATOM 176 O O . GLN B 1 32 ? -50.873 40.890 8.564 1.0 65.06 ? 30 GLN B O 1 32 . B ATOM 177 C CB . GLN B 1 32 ? -53.012 39.419 6.683 1.0 61.01 ? 30 GLN B CB 1 32 . B ATOM 178 C CG . GLN B 1 32 ? -52.843 38.147 7.464 1.0 67.86 ? 30 GLN B CG 1 32 . B ATOM 179 C CD . GLN B 1 32 ? -53.043 36.935 6.601 1.0 75.52 ? 30 GLN B CD 1 32 . B ATOM 180 O OE1 . GLN B 1 32 ? -53.403 35.859 7.091 1.0 79.09 ? 30 GLN B OE1 1 32 . B ATOM 181 N NE2 . GLN B 1 32 ? -52.824 37.098 5.294 1.0 78.09 ? 30 GLN B NE2 1 32 . B ATOM 182 N N . LEU B 1 33 ? -52.578 40.256 9.892 1.0 70.63 ? 31 LEU B N 1 33 . B ATOM 183 C CA . LEU B 1 33 ? -51.848 40.561 11.121 1.0 75.27 ? 31 LEU B CA 1 33 . B ATOM 184 C C . LEU B 1 33 ? -50.895 39.525 11.708 1.0 80.15 ? 31 LEU B C 1 33 . B ATOM 185 O O . LEU B 1 33 ? -49.936 39.895 12.405 1.0 80.22 ? 31 LEU B O 1 33 . B ATOM 186 C CB . LEU B 1 33 ? -52.781 41.086 12.206 1.0 74.4 ? 31 LEU B CB 1 33 . B ATOM 187 C CG . LEU B 1 33 ? -53.105 42.575 12.093 1.0 71.4 ? 31 LEU B CG 1 33 . B ATOM 188 C CD1 . LEU B 1 33 ? -53.712 43.011 13.401 1.0 72.21 ? 31 LEU B CD1 1 33 . B ATOM 189 C CD2 . LEU B 1 33 ? -51.880 43.416 11.760 1.0 65.95 ? 31 LEU B CD2 1 33 . B ATOM 190 N N . GLY B 1 34 ? -51.125 38.248 11.444 1.0 82.41 ? 32 GLY B N 1 34 . B ATOM 191 C CA . GLY B 1 34 ? -50.252 37.248 12.039 1.0 89.98 ? 32 GLY B CA 1 34 . B ATOM 192 C C . GLY B 1 34 ? -49.009 36.849 11.248 1.0 95.03 ? 32 GLY B C 1 34 . B ATOM 193 O O . GLY B 1 34 ? -48.303 37.677 10.649 1.0 90.46 ? 32 GLY B O 1 34 . B ATOM 194 N N . ASN B 1 35 ? -48.742 35.547 11.276 1.0 99.24 ? 33 ASN B N 1 35 . B ATOM 195 C CA . ASN B 1 35 ? -47.718 34.926 10.448 1.0 96.61 ? 33 ASN B CA 1 35 . B ATOM 196 C C . ASN B 1 35 ? -46.417 35.692 10.374 1.0 88.37 ? 33 ASN B C 1 35 . B ATOM 197 O O . ASN B 1 35 ? -46.000 36.105 9.302 1.0 87.42 ? 33 ASN B O 1 35 . B ATOM 198 C CB . ASN B 1 35 ? -48.260 34.673 9.044 1.0 98.84 ? 33 ASN B CB 1 35 . B ATOM 199 C CG . ASN B 1 35 ? -49.572 33.919 9.066 1.0 104.12 ? 33 ASN B CG 1 35 . B ATOM 200 O OD1 . ASN B 1 35 ? -49.611 32.687 8.928 1.0 107.88 ? 33 ASN B OD1 1 35 . B ATOM 201 N ND2 . ASN B 1 35 ? -50.659 34.654 9.267 1.0 103.0 ? 33 ASN B ND2 1 35 . B ATOM 202 N N . GLY B 1 36 ? -45.779 35.871 11.521 1.0 84.79 ? 34 GLY B N 1 36 . B ATOM 203 C CA . GLY B 1 36 ? -44.437 36.420 11.571 1.0 86.17 ? 34 GLY B CA 1 36 . B ATOM 204 C C . GLY B 1 36 ? -44.246 37.744 10.855 1.0 83.3 ? 34 GLY B C 1 36 . B ATOM 205 O O . GLY B 1 36 ? -43.131 38.095 10.467 1.0 83.83 ? 34 GLY B O 1 36 . B ATOM 206 N N . ARG B 1 37 ? -45.334 38.483 10.678 1.0 79.35 ? 35 ARG B N 1 37 . B ATOM 207 C CA . ARG B 1 37 ? -45.263 39.781 10.024 1.0 73.44 ? 35 ARG B CA 1 37 . B ATOM 208 C C . ARG B 1 37 ? -45.750 40.881 10.949 1.0 73.85 ? 35 ARG B C 1 37 . B ATOM 209 O O . ARG B 1 37 ? -46.590 40.665 11.822 1.0 77.61 ? 35 ARG B O 1 37 . B ATOM 210 C CB . ARG B 1 37 ? -46.076 39.789 8.730 1.0 68.21 ? 35 ARG B CB 1 37 . B ATOM 211 C CG . ARG B 1 37 ? -45.249 39.639 7.469 1.0 68.17 ? 35 ARG B CG 1 37 . B ATOM 212 C CD . ARG B 1 37 ? -46.103 39.813 6.212 1.0 69.75 ? 35 ARG B CD 1 37 . B ATOM 213 N NE . ARG B 1 37 ? -46.984 38.667 5.994 1.0 74.18 ? 35 ARG B NE 1 37 . B ATOM 214 C CZ . ARG B 1 37 ? -46.583 37.523 5.444 1.0 76.32 ? 35 ARG B CZ 1 37 . B ATOM 215 N NH1 . ARG B 1 37 ? -45.315 37.391 5.058 1.0 76.89 ? 35 ARG B NH1 1 37 . B ATOM 216 N NH2 . ARG B 1 37 ? -47.437 36.511 5.287 1.0 73.89 ? 35 ARG B NH2 1 37 . B ATOM 217 N N . CYS B 1 38 ? -45.216 42.071 10.740 1.0 71.42 ? 36 CYS B N 1 38 . B ATOM 218 C CA . CYS B 1 38 ? -45.568 43.222 11.544 1.0 66.98 ? 36 CYS B CA 1 38 . B ATOM 219 C C . CYS B 1 38 ? -45.960 44.360 10.595 1.0 67.77 ? 36 CYS B C 1 38 . B ATOM 220 O O . CYS B 1 38 ? -45.323 44.571 9.569 1.0 68.98 ? 36 CYS B O 1 38 . B ATOM 221 C CB . CYS B 1 38 ? -44.382 43.583 12.438 1.0 62.58 ? 36 CYS B CB 1 38 . B ATOM 222 S SG . CYS B 1 38 ? -44.218 45.309 12.886 1.0 91.42 ? 36 CYS B SG 1 38 . B ATOM 223 N N . SER B 1 39 ? -47.033 45.066 10.922 1.0 64.33 ? 37 SER B N 1 39 . B ATOM 224 C CA . SER B 1 39 ? -47.541 46.117 10.055 1.0 57.27 ? 37 SER B CA 1 39 . B ATOM 225 C C . SER B 1 39 ? -48.004 47.287 10.908 1.0 60.41 ? 37 SER B C 1 39 . B ATOM 226 O O . SER B 1 39 ? -48.306 47.116 12.088 1.0 65.32 ? 37 SER B O 1 39 . B ATOM 227 C CB . SER B 1 39 ? -48.707 45.586 9.230 1.0 54.25 ? 37 SER B CB 1 39 . B ATOM 228 O OG . SER B 1 39 ? -49.927 45.633 9.952 1.0 52.93 ? 37 SER B OG 1 39 . B ATOM 229 N N . SER B 1 40 ? -48.072 48.474 10.322 1.0 59.88 ? 38 SER B N 1 40 . B ATOM 230 C CA . SER B 1 40 ? -48.454 49.654 11.092 1.0 63.7 ? 38 SER B CA 1 40 . B ATOM 231 C C . SER B 1 40 ? -48.827 50.831 10.193 1.0 64.39 ? 38 SER B C 1 40 . B ATOM 232 O O . SER B 1 40 ? -48.320 50.939 9.080 1.0 63.41 ? 38 SER B O 1 40 . B ATOM 233 C CB . SER B 1 40 ? -47.317 50.050 12.029 1.0 66.3 ? 38 SER B CB 1 40 . B ATOM 234 O OG . SER B 1 40 ? -47.635 51.230 12.739 1.0 69.18 ? 38 SER B OG 1 40 . B ATOM 235 N N . LEU B 1 41 ? -49.713 51.705 10.674 1.0 63.99 ? 39 LEU B N 1 41 . B ATOM 236 C CA . LEU B 1 41 ? -50.183 52.846 9.878 1.0 61.56 ? 39 LEU B CA 1 41 . B ATOM 237 C C . LEU B 1 41 ? -50.077 54.199 10.584 1.0 67.61 ? 39 LEU B C 1 41 . B ATOM 238 O O . LEU B 1 41 ? -50.584 54.376 11.694 1.0 74.76 ? 39 LEU B O 1 41 . B ATOM 239 C CB . LEU B 1 41 ? -51.628 52.631 9.457 1.0 54.08 ? 39 LEU B CB 1 41 . B ATOM 240 C CG . LEU B 1 41 ? -52.379 53.921 9.130 1.0 48.39 ? 39 LEU B CG 1 41 . B ATOM 241 C CD1 . LEU B 1 41 ? -52.017 54.413 7.739 1.0 47.5 ? 39 LEU B CD1 1 41 . B ATOM 242 C CD2 . LEU B 1 41 ? -53.868 53.658 9.235 1.0 46.16 ? 39 LEU B CD2 1 41 . B ATOM 243 N N . LEU B 1 42 ? -49.455 55.161 9.913 1.0 65.98 ? 40 LEU B N 1 42 . B ATOM 244 C CA . LEU B 1 42 ? -49.205 56.475 10.496 1.0 68.09 ? 40 LEU B CA 1 42 . B ATOM 245 C C . LEU B 1 42 ? -49.835 57.613 9.708 1.0 71.23 ? 40 LEU B C 1 42 . B ATOM 246 O O . LEU B 1 42 ? -49.858 57.595 8.489 1.0 77.17 ? 40 LEU B O 1 42 . B ATOM 247 C CB . LEU B 1 42 ? -47.704 56.715 10.620 1.0 65.43 ? 40 LEU B CB 1 42 . B ATOM 248 C CG . LEU B 1 42 ? -47.036 55.818 11.654 1.0 64.17 ? 40 LEU B CG 1 42 . B ATOM 249 C CD1 . LEU B 1 42 ? -46.193 54.738 11.005 1.0 60.96 ? 40 LEU B CD1 1 42 . B ATOM 250 C CD2 . LEU B 1 42 ? -46.195 56.680 12.562 1.0 68.85 ? 40 LEU B CD2 1 42 . B ATOM 251 N N . ALA B 1 43 ? -50.353 58.605 10.411 1.0 71.09 ? 41 ALA B N 1 43 . B ATOM 252 C CA . ALA B 1 43 ? -50.969 59.744 9.758 1.0 71.15 ? 41 ALA B CA 1 43 . B ATOM 253 C C . ALA B 1 43 ? -50.195 60.983 10.145 1.0 76.63 ? 41 ALA B C 1 43 . B ATOM 254 O O . ALA B 1 43 ? -49.435 60.966 11.107 1.0 85.35 ? 41 ALA B O 1 43 . B ATOM 255 C CB . ALA B 1 43 ? -52.411 59.871 10.183 1.0 70.55 ? 41 ALA B CB 1 43 . B ATOM 256 N N . GLN B 1 44 ? -50.383 62.059 9.396 1.0 73.75 ? 42 GLN B N 1 44 . B ATOM 257 C CA . GLN B 1 44 ? -49.679 63.301 9.662 1.0 74.06 ? 42 GLN B CA 1 44 . B ATOM 258 C C . GLN B 1 44 ? -50.437 64.436 9.013 1.0 77.07 ? 42 GLN B C 1 44 . B ATOM 259 O O . GLN B 1 44 ? -50.531 64.509 7.782 1.0 76.76 ? 42 GLN B O 1 44 . B ATOM 260 C CB . GLN B 1 44 ? -48.246 63.248 9.116 1.0 75.49 ? 42 GLN B CB 1 44 . B ATOM 261 C CG . GLN B 1 44 ? -47.423 64.523 9.356 1.0 81.78 ? 42 GLN B CG 1 44 . B ATOM 262 C CD . GLN B 1 44 ? -47.189 64.810 10.842 1.0 86.49 ? 42 GLN B CD 1 44 . B ATOM 263 O OE1 . GLN B 1 44 ? -46.143 64.468 11.396 1.0 87.28 ? 42 GLN B OE1 1 44 . B ATOM 264 N NE2 . GLN B 1 44 ? -48.172 65.428 11.490 1.0 86.76 ? 42 GLN B NE2 1 44 . B ATOM 265 N N . ARG B 1 45 ? -51.001 65.311 9.837 1.0 79.87 ? 43 ARG B N 1 45 . B ATOM 266 C CA . ARG B 1 45 ? -51.594 66.526 9.315 1.0 83.88 ? 43 ARG B CA 1 45 . B ATOM 267 C C . ARG B 1 45 ? -50.460 67.431 8.847 1.0 81.78 ? 43 ARG B C 1 45 . B ATOM 268 O O . ARG B 1 45 ? -49.412 67.491 9.482 1.0 81.47 ? 43 ARG B O 1 45 . B ATOM 269 C CB . ARG B 1 45 ? -52.451 67.210 10.375 1.0 90.55 ? 43 ARG B CB 1 45 . B ATOM 270 C CG . ARG B 1 45 ? -53.133 68.483 9.902 1.0 99.87 ? 43 ARG B CG 1 45 . B ATOM 271 C CD . ARG B 1 45 ? -54.133 68.994 10.931 1.0 106.58 ? 43 ARG B CD 1 45 . B ATOM 272 N NE . ARG B 1 45 ? -55.096 67.954 11.269 1.0 110.86 ? 43 ARG B NE 1 45 . B ATOM 273 C CZ . ARG B 1 45 ? -54.952 67.116 12.291 1.0 116.39 ? 43 ARG B CZ 1 45 . B ATOM 274 N NH1 . ARG B 1 45 ? -53.884 67.206 13.080 1.0 117.58 ? 43 ARG B NH1 1 45 . B ATOM 275 N NH2 . ARG B 1 45 ? -55.876 66.190 12.531 1.0 117.85 ? 43 ARG B NH2 1 45 . B ATOM 276 N N . ILE B 1 46 ? -50.648 68.086 7.707 1.0 80.94 ? 44 ILE B N 1 46 . B ATOM 277 C CA . ILE B 1 46 ? -49.690 69.072 7.227 1.0 83.12 ? 44 ILE B CA 1 46 . B ATOM 278 C C . ILE B 1 46 ? -50.431 70.292 6.712 1.0 89.41 ? 44 ILE B C 1 46 . B ATOM 279 O O . ILE B 1 46 ? -51.290 70.181 5.842 1.0 90.52 ? 44 ILE B O 1 46 . B ATOM 280 C CB . ILE B 1 46 ? -48.819 68.544 6.080 1.0 78.91 ? 44 ILE B CB 1 46 . B ATOM 281 C CG1 . ILE B 1 46 ? -48.058 67.287 6.497 1.0 75.46 ? 44 ILE B CG1 1 46 . B ATOM 282 C CG2 . ILE B 1 46 ? -47.830 69.608 5.647 1.0 77.86 ? 44 ILE B CG2 1 46 . B ATOM 283 C CD1 . ILE B 1 46 ? -46.943 66.915 5.519 1.0 70.75 ? 44 ILE B CD1 1 46 . B ATOM 284 N N . HIS B 1 47 ? -50.106 71.459 7.247 1.0 95.93 ? 45 HIS B N 1 47 . B ATOM 285 C CA . HIS B 1 47 ? -50.744 72.678 6.775 1.0 102.66 ? 45 HIS B CA 1 47 . B ATOM 286 C C . HIS B 1 47 ? -50.021 73.213 5.541 1.0 103.57 ? 45 HIS B C 1 47 . B ATOM 287 O O . HIS B 1 47 ? -49.145 74.071 5.624 1.0 107.43 ? 45 HIS B O 1 47 . B ATOM 288 C CB . HIS B 1 47 ? -50.862 73.719 7.892 1.0 107.99 ? 45 HIS B CB 1 47 . B ATOM 289 C CG . HIS B 1 47 ? -51.907 73.382 8.915 1.0 113.7 ? 45 HIS B CG 1 47 . B ATOM 290 N ND1 . HIS B 1 47 ? -53.207 73.835 8.830 1.0 117.63 ? 45 HIS B ND1 1 47 . B ATOM 291 C CD2 . HIS B 1 47 ? -51.848 72.622 10.037 1.0 112.57 ? 45 HIS B CD2 1 47 . B ATOM 292 C CE1 . HIS B 1 47 ? -53.899 73.380 9.862 1.0 116.26 ? 45 HIS B CE1 1 47 . B ATOM 293 N NE2 . HIS B 1 47 ? -53.099 72.638 10.606 1.0 112.94 ? 45 HIS B NE2 1 47 . B ATOM 294 N N . ALA B 1 48 ? -50.399 72.664 4.396 1.0 100.59 ? 46 ALA B N 1 48 . B ATOM 295 C CA . ALA B 1 48 ? -49.843 73.047 3.108 1.0 100.13 ? 46 ALA B CA 1 48 . B ATOM 296 C C . ALA B 1 48 ? -50.756 72.474 2.027 1.0 99.69 ? 46 ALA B C 1 48 . B ATOM 297 O O . ALA B 1 48 ? -51.725 71.778 2.330 1.0 99.58 ? 46 ALA B O 1 48 . B ATOM 298 C CB . ALA B 1 48 ? -48.416 72.523 2.959 1.0 96.56 ? 46 ALA B CB 1 48 . B ATOM 299 N N . PRO B 1 49 ? -50.475 72.782 0.762 1.0 100.13 ? 47 PRO B N 1 49 . B ATOM 300 C CA . PRO B 1 49 ? -51.307 72.181 -0.282 1.0 99.92 ? 47 PRO B CA 1 49 . B ATOM 301 C C . PRO B 1 49 ? -50.788 70.798 -0.659 1.0 97.27 ? 47 PRO B C 1 49 . B ATOM 302 O O . PRO B 1 49 ? -49.574 70.595 -0.722 1.0 98.2 ? 47 PRO B O 1 49 . B ATOM 303 C CB . PRO B 1 49 ? -51.144 73.145 -1.464 1.0 102.73 ? 47 PRO B CB 1 49 . B ATOM 304 C CG . PRO B 1 49 ? -50.355 74.334 -0.933 1.0 104.43 ? 47 PRO B CG 1 49 . B ATOM 305 C CD . PRO B 1 49 ? -49.585 73.825 0.232 1.0 102.31 ? 47 PRO B CD 1 49 . B ATOM 306 N N . PRO B 1 50 ? -51.700 69.856 -0.919 1.0 94.25 ? 48 PRO B N 1 50 . B ATOM 307 C CA . PRO B 1 50 ? -51.357 68.488 -1.318 1.0 94.71 ? 48 PRO B CA 1 50 . B ATOM 308 C C . PRO B 1 50 ? -50.297 68.446 -2.424 1.0 99.09 ? 48 PRO B C 1 50 . B ATOM 309 O O . PRO B 1 50 ? -49.388 67.613 -2.382 1.0 96.88 ? 48 PRO B O 1 50 . B ATOM 310 C CB . PRO B 1 50 ? -52.688 67.931 -1.835 1.0 93.54 ? 48 PRO B CB 1 50 . B ATOM 311 C CG . PRO B 1 50 ? -53.602 69.114 -1.969 1.0 95.18 ? 48 PRO B CG 1 50 . B ATOM 312 C CD . PRO B 1 50 ? -53.148 70.089 -0.950 1.0 94.81 ? 48 PRO B CD 1 50 . B ATOM 313 N N . GLU B 1 51 ? -50.419 69.349 -3.394 1.0 104.73 ? 49 GLU B N 1 51 . B ATOM 314 C CA . GLU B 1 51 ? -49.479 69.437 -4.514 1.0 107.15 ? 49 GLU B CA 1 51 . B ATOM 315 C C . GLU B 1 51 ? -48.039 69.603 -4.045 1.0 99.96 ? 49 GLU B C 1 51 . B ATOM 316 O O . GLU B 1 51 ? -47.137 68.899 -4.498 1.0 93.75 ? 49 GLU B O 1 51 . B ATOM 317 C CB . GLU B 1 51 ? -49.862 70.588 -5.457 1.0 116.97 ? 49 GLU B CB 1 51 . B ATOM 318 C CG . GLU B 1 51 ? -50.853 71.603 -4.864 1.0 127.22 ? 49 GLU B CG 1 51 . B ATOM 319 C CD . GLU B 1 51 ? -52.320 71.189 -5.042 1.0 133.88 ? 49 GLU B CD 1 51 . B ATOM 320 O OE1 . GLU B 1 51 ? -53.070 71.151 -4.032 1.0 132.81 ? 49 GLU B OE1 1 51 . B ATOM 321 O OE2 . GLU B 1 51 ? -52.722 70.905 -6.199 1.0 137.41 ? 49 GLU B OE2 1 51 . B ATOM 322 N N . THR B 1 52 ? -47.828 70.539 -3.130 1.0 101.66 ? 50 THR B N 1 52 . B ATOM 323 C CA . THR B 1 52 ? -46.488 70.812 -2.623 1.0 102.02 ? 50 THR B CA 1 52 . B ATOM 324 C C . THR B 1 52 ? -45.921 69.607 -1.889 1.0 94.99 ? 50 THR B C 1 52 . B ATOM 325 O O . THR B 1 52 ? -44.781 69.204 -2.117 1.0 93.71 ? 50 THR B O 1 52 . B ATOM 326 C CB . THR B 1 52 ? -46.483 72.012 -1.671 1.0 106.47 ? 50 THR B CB 1 52 . B ATOM 327 O OG1 . THR B 1 52 ? -47.250 73.077 -2.247 1.0 110.74 ? 50 THR B OG1 1 52 . B ATOM 328 C CG2 . THR B 1 52 ? -45.057 72.485 -1.441 1.0 107.29 ? 50 THR B CG2 1 52 . B ATOM 329 N N . VAL B 1 53 ? -46.726 69.034 -1.006 1.0 89.18 ? 51 VAL B N 1 53 . B ATOM 330 C CA . VAL B 1 53 ? -46.325 67.828 -0.305 1.0 84.72 ? 51 VAL B CA 1 53 . B ATOM 331 C C . VAL B 1 53 ? -46.012 66.707 -1.290 1.0 82.75 ? 51 VAL B C 1 53 . B ATOM 332 O O . VAL B 1 53 ? -44.936 66.099 -1.235 1.0 79.91 ? 51 VAL B O 1 53 . B ATOM 333 C CB . VAL B 1 53 ? -47.416 67.359 0.652 1.0 81.81 ? 51 VAL B CB 1 53 . B ATOM 334 C CG1 . VAL B 1 53 ? -47.010 66.053 1.300 1.0 80.05 ? 51 VAL B CG1 1 53 . B ATOM 335 C CG2 . VAL B 1 53 ? -47.684 68.427 1.693 1.0 80.44 ? 51 VAL B CG2 1 53 . B ATOM 336 N N . TRP B 1 54 ? -46.947 66.445 -2.201 1.0 83.38 ? 52 TRP B N 1 54 . B ATOM 337 C CA . TRP B 1 54 ? -46.756 65.387 -3.192 1.0 84.3 ? 52 TRP B CA 1 54 . B ATOM 338 C C . TRP B 1 54 ? -45.473 65.570 -4.005 1.0 86.5 ? 52 TRP B C 1 54 . B ATOM 339 O O . TRP B 1 54 ? -44.793 64.594 -4.331 1.0 86.69 ? 52 TRP B O 1 54 . B ATOM 340 C CB . TRP B 1 54 ? -47.968 65.257 -4.119 1.0 83.39 ? 52 TRP B CB 1 54 . B ATOM 341 C CG . TRP B 1 54 ? -47.765 64.223 -5.175 1.0 84.14 ? 52 TRP B CG 1 54 . B ATOM 342 C CD1 . TRP B 1 54 ? -47.576 64.439 -6.504 1.0 85.11 ? 52 TRP B CD1 1 54 . B ATOM 343 C CD2 . TRP B 1 54 ? -47.695 62.806 -4.986 1.0 85.22 ? 52 TRP B CD2 1 54 . B ATOM 344 N NE1 . TRP B 1 54 ? -47.407 63.244 -7.161 1.0 85.57 ? 52 TRP B NE1 1 54 . B ATOM 345 C CE2 . TRP B 1 54 ? -47.474 62.226 -6.248 1.0 85.86 ? 52 TRP B CE2 1 54 . B ATOM 346 C CE3 . TRP B 1 54 ? -47.809 61.970 -3.876 1.0 85.26 ? 52 TRP B CE3 1 54 . B ATOM 347 C CZ2 . TRP B 1 54 ? -47.360 60.852 -6.426 1.0 85.1 ? 52 TRP B CZ2 1 54 . B ATOM 348 C CZ3 . TRP B 1 54 ? -47.699 60.604 -4.057 1.0 83.37 ? 52 TRP B CZ3 1 54 . B ATOM 349 C CH2 . TRP B 1 54 ? -47.471 60.061 -5.318 1.0 83.18 ? 52 TRP B CH2 1 54 . B ATOM 350 N N . SER B 1 55 ? -45.139 66.819 -4.319 1.0 87.63 ? 53 SER B N 1 55 . B ATOM 351 C CA . SER B 1 55 ? -43.963 67.105 -5.132 1.0 91.1 ? 53 SER B CA 1 55 . B ATOM 352 C C . SER B 1 55 ? -42.696 66.650 -4.427 1.0 90.61 ? 53 SER B C 1 55 . B ATOM 353 O O . SER B 1 55 ? -41.643 66.492 -5.051 1.0 90.95 ? 53 SER B O 1 55 . B ATOM 354 C CB . SER B 1 55 ? -43.870 68.597 -5.447 1.0 96.26 ? 53 SER B CB 1 55 . B ATOM 355 O OG . SER B 1 55 ? -43.391 69.316 -4.324 1.0 98.79 ? 53 SER B OG 1 55 . B ATOM 356 N N . VAL B 1 56 ? -42.798 66.446 -3.118 1.0 89.85 ? 54 VAL B N 1 56 . B ATOM 357 C CA . VAL B 1 56 ? -41.674 65.919 -2.359 1.0 89.28 ? 54 VAL B CA 1 56 . B ATOM 358 C C . VAL B 1 56 ? -41.793 64.410 -2.175 1.0 86.06 ? 54 VAL B C 1 56 . B ATOM 359 O O . VAL B 1 56 ? -40.806 63.677 -2.287 1.0 86.45 ? 54 VAL B O 1 56 . B ATOM 360 C CB . VAL B 1 56 ? -41.553 66.561 -0.973 1.0 88.97 ? 54 VAL B CB 1 56 . B ATOM 361 C CG1 . VAL B 1 56 ? -40.251 66.129 -0.338 1.0 89.45 ? 54 VAL B CG1 1 56 . B ATOM 362 C CG2 . VAL B 1 56 ? -41.620 68.073 -1.072 1.0 90.3 ? 54 VAL B CG2 1 56 . B ATOM 363 N N . VAL B 1 57 ? -43.002 63.948 -1.882 1.0 82.41 ? 55 VAL B N 1 57 . B ATOM 364 C CA . VAL B 1 57 ? -43.192 62.533 -1.619 1.0 84.11 ? 55 VAL B CA 1 57 . B ATOM 365 C C . VAL B 1 57 ? -42.853 61.766 -2.880 1.0 83.62 ? 55 VAL B C 1 57 . B ATOM 366 O O . VAL B 1 57 ? -42.223 60.710 -2.833 1.0 83.14 ? 55 VAL B O 1 57 . B ATOM 367 C CB . VAL B 1 57 ? -44.635 62.205 -1.174 1.0 86.52 ? 55 VAL B CB 1 57 . B ATOM 368 C CG1 . VAL B 1 57 ? -44.769 60.732 -0.873 1.0 87.14 ? 55 VAL B CG1 1 57 . B ATOM 369 C CG2 . VAL B 1 57 ? -45.011 63.010 0.053 1.0 85.8 ? 55 VAL B CG2 1 57 . B ATOM 370 N N . ARG B 1 58 ? -43.254 62.318 -4.018 1.0 83.92 ? 56 ARG B N 1 58 . B ATOM 371 C CA . ARG B 1 58 ? -43.075 61.624 -5.279 1.0 83.33 ? 56 ARG B CA 1 58 . B ATOM 372 C C . ARG B 1 58 ? -41.595 61.522 -5.623 1.0 79.85 ? 56 ARG B C 1 58 . B ATOM 373 O O . ARG B 1 58 ? -41.204 60.723 -6.462 1.0 78.4 ? 56 ARG B O 1 58 . B ATOM 374 C CB . ARG B 1 58 ? -43.822 62.344 -6.400 1.0 89.05 ? 56 ARG B CB 1 58 . B ATOM 375 C CG . ARG B 1 58 ? -43.034 63.507 -6.976 1.0 96.83 ? 56 ARG B CG 1 58 . B ATOM 376 C CD . ARG B 1 58 ? -43.752 64.198 -8.129 1.0 100.16 ? 56 ARG B CD 1 58 . B ATOM 377 N NE . ARG B 1 58 ? -44.100 63.278 -9.206 1.0 98.12 ? 56 ARG B NE 1 58 . B ATOM 378 C CZ . ARG B 1 58 ? -43.326 63.026 -10.254 1.0 95.91 ? 56 ARG B CZ 1 58 . B ATOM 379 N NH1 . ARG B 1 58 ? -42.142 63.624 -10.370 1.0 95.2 ? 56 ARG B NH1 1 58 . B ATOM 380 N NH2 . ARG B 1 58 ? -43.738 62.168 -11.182 1.0 94.06 ? 56 ARG B NH2 1 58 . B ATOM 381 N N . ARG B 1 59 ? -40.763 62.321 -4.972 1.0 79.92 ? 57 ARG B N 1 59 . B ATOM 382 C CA . ARG B 1 59 ? -39.364 62.387 -5.372 1.0 84.09 ? 57 ARG B CA 1 59 . B ATOM 383 C C . ARG B 1 59 ? -38.576 61.133 -4.976 1.0 78.74 ? 57 ARG B C 1 59 . B ATOM 384 O O . ARG B 1 59 ? -37.752 61.166 -4.064 1.0 81.65 ? 57 ARG B O 1 59 . B ATOM 385 C CB . ARG B 1 59 ? -38.707 63.677 -4.851 1.0 92.32 ? 57 ARG B CB 1 59 . B ATOM 386 C CG . ARG B 1 59 ? -38.415 64.684 -5.956 1.0 100.17 ? 57 ARG B CG 1 59 . B ATOM 387 C CD . ARG B 1 59 ? -37.497 64.031 -6.982 1.0 107.24 ? 57 ARG B CD 1 59 . B ATOM 388 N NE . ARG B 1 59 ? -37.058 64.905 -8.071 1.0 113.51 ? 57 ARG B NE 1 59 . B ATOM 389 C CZ . ARG B 1 59 ? -36.140 65.869 -7.960 1.0 114.56 ? 57 ARG B CZ 1 59 . B ATOM 390 N NH1 . ARG B 1 59 ? -35.567 66.135 -6.783 1.0 109.32 ? 57 ARG B NH1 1 59 . B ATOM 391 N NH2 . ARG B 1 59 ? -35.811 66.584 -9.038 1.0 116.6 ? 57 ARG B NH2 1 59 . B ATOM 392 N N . PHE B 1 60 ? -38.814 60.034 -5.685 1.0 73.09 ? 58 PHE B N 1 60 . B ATOM 393 C CA . PHE B 1 60 ? -38.229 58.747 -5.315 1.0 74.73 ? 58 PHE B CA 1 60 . B ATOM 394 C C . PHE B 1 60 ? -36.713 58.741 -5.355 1.0 83.66 ? 58 PHE B C 1 60 . B ATOM 395 O O . PHE B 1 60 ? -36.077 57.882 -4.746 1.0 84.11 ? 58 PHE B O 1 60 . B ATOM 396 C CB . PHE B 1 60 ? -38.763 57.633 -6.199 1.0 72.62 ? 58 PHE B CB 1 60 . B ATOM 397 C CG . PHE B 1 60 ? -38.185 56.277 -5.897 1.0 75.65 ? 58 PHE B CG 1 60 . B ATOM 398 C CD1 . PHE B 1 60 ? -38.800 55.432 -4.999 1.0 77.71 ? 58 PHE B CD1 1 60 . B ATOM 399 C CD2 . PHE B 1 60 ? -37.045 55.832 -6.535 1.0 77.96 ? 58 PHE B CD2 1 60 . B ATOM 400 C CE1 . PHE B 1 60 ? -38.282 54.175 -4.737 1.0 77.61 ? 58 PHE B CE1 1 60 . B ATOM 401 C CE2 . PHE B 1 60 ? -36.525 54.577 -6.273 1.0 78.69 ? 58 PHE B CE2 1 60 . B ATOM 402 C CZ . PHE B 1 60 ? -37.147 53.749 -5.376 1.0 77.93 ? 58 PHE B CZ 1 60 . B ATOM 403 N N . ASP B 1 61 ? -36.131 59.694 -6.073 1.0 92.03 ? 59 ASP B N 1 61 . B ATOM 404 C CA . ASP B 1 61 ? -34.674 59.791 -6.137 1.0 99.43 ? 59 ASP B CA 1 61 . B ATOM 405 C C . ASP B 1 61 ? -34.098 60.726 -5.071 1.0 104.12 ? 59 ASP B C 1 61 . B ATOM 406 O O . ASP B 1 61 ? -32.882 60.778 -4.892 1.0 108.25 ? 59 ASP B O 1 61 . B ATOM 407 C CB . ASP B 1 61 ? -34.206 60.213 -7.533 1.0 102.11 ? 59 ASP B CB 1 61 . B ATOM 408 C CG . ASP B 1 61 ? -34.799 61.539 -7.972 1.0 106.12 ? 59 ASP B CG 1 61 . B ATOM 409 O OD1 . ASP B 1 61 ? -34.024 62.443 -8.350 1.0 107.19 ? 59 ASP B OD1 1 61 . B ATOM 410 O OD2 . ASP B 1 61 ? -36.042 61.679 -7.937 1.0 108.33 ? 59 ASP B OD2 1 61 . B ATOM 411 N N . ARG B 1 62 ? -34.961 61.461 -4.367 1.0 105.07 ? 60 ARG B N 1 62 . B ATOM 412 C CA . ARG B 1 62 ? -34.504 62.381 -3.317 1.0 110.23 ? 60 ARG B CA 1 62 . B ATOM 413 C C . ARG B 1 62 ? -35.214 62.120 -1.985 1.0 106.59 ? 60 ARG B C 1 62 . B ATOM 414 O O . ARG B 1 62 ? -35.902 62.998 -1.456 1.0 103.82 ? 60 ARG B O 1 62 . B ATOM 415 C CB . ARG B 1 62 ? -34.680 63.855 -3.736 1.0 116.57 ? 60 ARG B CB 1 62 . B ATOM 416 C CG . ARG B 1 62 ? -33.727 64.360 -4.847 1.0 123.73 ? 60 ARG B CG 1 62 . B ATOM 417 C CD . ARG B 1 62 ? -32.501 65.114 -4.300 1.0 129.47 ? 60 ARG B CD 1 62 . B ATOM 418 N NE . ARG B 1 62 ? -32.794 66.497 -3.903 1.0 133.52 ? 60 ARG B NE 1 62 . B ATOM 419 C CZ . ARG B 1 62 ? -32.122 67.175 -2.969 1.0 134.77 ? 60 ARG B CZ 1 62 . B ATOM 420 N NH1 . ARG B 1 62 ? -31.116 66.604 -2.316 1.0 133.59 ? 60 ARG B NH1 1 62 . B ATOM 421 N NH2 . ARG B 1 62 ? -32.463 68.426 -2.677 1.0 134.9 ? 60 ARG B NH2 1 62 . B ATOM 422 N N . PRO B 1 63 ? -35.039 60.907 -1.434 1.0 104.73 ? 61 PRO B N 1 63 . B ATOM 423 C CA . PRO B 1 63 ? -35.731 60.542 -0.197 1.0 100.86 ? 61 PRO B CA 1 63 . B ATOM 424 C C . PRO B 1 63 ? -35.153 61.290 0.998 1.0 102.32 ? 61 PRO B C 1 63 . B ATOM 425 O O . PRO B 1 63 ? -35.869 61.551 1.963 1.0 103.81 ? 61 PRO B O 1 63 . B ATOM 426 C CB . PRO B 1 63 ? -35.456 59.042 -0.075 1.0 97.81 ? 61 PRO B CB 1 63 . B ATOM 427 C CG . PRO B 1 63 ? -34.156 58.854 -0.744 1.0 100.91 ? 61 PRO B CG 1 63 . B ATOM 428 C CD . PRO B 1 63 ? -34.120 59.846 -1.882 1.0 104.04 ? 61 PRO B CD 1 63 . B ATOM 429 N N . GLN B 1 64 ? -33.875 61.646 0.933 1.0 101.52 ? 62 GLN B N 1 64 . B ATOM 430 C CA . GLN B 1 64 ? -33.241 62.348 2.044 1.0 97.62 ? 62 GLN B CA 1 64 . B ATOM 431 C C . GLN B 1 64 ? -33.615 63.826 2.101 1.0 94.15 ? 62 GLN B C 1 64 . B ATOM 432 O O . GLN B 1 64 ? -33.039 64.590 2.863 1.0 96.53 ? 62 GLN B O 1 64 . B ATOM 433 C CB . GLN B 1 64 ? -31.724 62.176 2.012 1.0 100.65 ? 62 GLN B CB 1 64 . B ATOM 434 C CG . GLN B 1 64 ? -31.164 61.829 0.655 1.0 105.72 ? 62 GLN B CG 1 64 . B ATOM 435 C CD . GLN B 1 64 ? -31.514 62.856 -0.395 1.0 110.7 ? 62 GLN B CD 1 64 . B ATOM 436 O OE1 . GLN B 1 64 ? -31.813 64.007 -0.073 1.0 111.25 ? 62 GLN B OE1 1 64 . B ATOM 437 N NE2 . GLN B 1 64 ? -31.477 62.446 -1.665 1.0 113.05 ? 62 GLN B NE2 1 64 . B ATOM 438 N N . ILE B 1 65 ? -34.586 64.231 1.297 1.0 91.72 ? 63 ILE B N 1 65 . B ATOM 439 C CA . ILE B 1 65 ? -35.144 65.563 1.439 1.0 93.21 ? 63 ILE B CA 1 65 . B ATOM 440 C C . ILE B 1 65 ? -35.896 65.654 2.759 1.0 96.63 ? 63 ILE B C 1 65 . B ATOM 441 O O . ILE B 1 65 ? -35.756 66.637 3.492 1.0 98.04 ? 63 ILE B O 1 65 . B ATOM 442 C CB . ILE B 1 65 ? -36.091 65.920 0.283 1.0 93.55 ? 63 ILE B CB 1 65 . B ATOM 443 C CG1 . ILE B 1 65 ? -35.298 66.321 -0.960 1.0 94.69 ? 63 ILE B CG1 1 65 . B ATOM 444 C CG2 . ILE B 1 65 ? -37.013 67.054 0.684 1.0 93.06 ? 63 ILE B CG2 1 65 . B ATOM 445 C CD1 . ILE B 1 65 ? -36.169 66.875 -2.064 1.0 94.56 ? 63 ILE B CD1 1 65 . B ATOM 446 N N . TYR B 1 66 ? -36.675 64.617 3.073 1.0 98.56 ? 64 TYR B N 1 66 . B ATOM 447 C CA . TYR B 1 66 ? -37.467 64.605 4.310 1.0 99.46 ? 64 TYR B CA 1 66 . B ATOM 448 C C . TYR B 1 66 ? -37.167 63.461 5.266 1.0 91.31 ? 64 TYR B C 1 66 . B ATOM 449 O O . TYR B 1 66 ? -37.520 63.537 6.436 1.0 92.48 ? 64 TYR B O 1 66 . B ATOM 450 C CB . TYR B 1 66 ? -38.973 64.621 4.013 1.0 104.33 ? 64 TYR B CB 1 66 . B ATOM 451 C CG . TYR B 1 66 ? -39.474 63.403 3.279 1.0 107.02 ? 64 TYR B CG 1 66 . B ATOM 452 C CD1 . TYR B 1 66 ? -39.930 62.285 3.970 1.0 107.86 ? 64 TYR B CD1 1 66 . B ATOM 453 C CD2 . TYR B 1 66 ? -39.499 63.373 1.892 1.0 108.77 ? 64 TYR B CD2 1 66 . B ATOM 454 C CE1 . TYR B 1 66 ? -40.392 61.166 3.294 1.0 108.78 ? 64 TYR B CE1 1 66 . B ATOM 455 C CE2 . TYR B 1 66 ? -39.954 62.266 1.211 1.0 111.12 ? 64 TYR B CE2 1 66 . B ATOM 456 C CZ . TYR B 1 66 ? -40.401 61.164 1.912 1.0 112.31 ? 64 TYR B CZ 1 66 . B ATOM 457 O OH . TYR B 1 66 ? -40.856 60.064 1.213 1.0 115.89 ? 64 TYR B OH 1 66 . B ATOM 458 N N . LYS B 1 67 ? -36.543 62.397 4.783 1.0 85.62 ? 65 LYS B N 1 67 . B ATOM 459 C CA . LYS B 1 67 ? -36.250 61.275 5.663 1.0 85.5 ? 65 LYS B CA 1 67 . B ATOM 460 C C . LYS B 1 67 ? -34.944 61.511 6.420 1.0 89.17 ? 65 LYS B C 1 67 . B ATOM 461 O O . LYS B 1 67 ? -34.021 62.141 5.897 1.0 92.47 ? 65 LYS B O 1 67 . B ATOM 462 C CB . LYS B 1 67 ? -36.171 59.968 4.878 1.0 83.27 ? 65 LYS B CB 1 67 . B ATOM 463 C CG . LYS B 1 67 ? -37.470 59.515 4.239 1.0 79.48 ? 65 LYS B CG 1 67 . B ATOM 464 C CD . LYS B 1 67 ? -37.245 58.218 3.472 1.0 78.76 ? 65 LYS B CD 1 67 . B ATOM 465 C CE . LYS B 1 67 ? -38.429 57.860 2.608 1.0 77.97 ? 65 LYS B CE 1 67 . B ATOM 466 N NZ . LYS B 1 67 ? -38.994 56.556 3.028 1.0 79.69 ? 65 LYS B NZ 1 67 . B ATOM 467 N N . HIS B 1 68 ? -34.869 61.016 7.651 1.0 86.09 ? 66 HIS B N 1 68 . B ATOM 468 C CA . HIS B 1 68 ? -33.645 61.130 8.428 1.0 88.37 ? 66 HIS B CA 1 68 . B ATOM 469 C C . HIS B 1 68 ? -32.805 59.885 8.210 1.0 87.93 ? 66 HIS B C 1 68 . B ATOM 470 O O . HIS B 1 68 ? -33.290 58.888 7.691 1.0 82.27 ? 66 HIS B O 1 68 . B ATOM 471 C CB . HIS B 1 68 ? -33.937 61.276 9.925 1.0 88.66 ? 66 HIS B CB 1 68 . B ATOM 472 C CG . HIS B 1 68 ? -34.776 62.465 10.284 1.0 88.17 ? 66 HIS B CG 1 68 . B ATOM 473 N ND1 . HIS B 1 68 ? -36.136 62.377 10.506 1.0 86.3 ? 66 HIS B ND1 1 68 . B ATOM 474 C CD2 . HIS B 1 68 ? -34.444 63.759 10.504 1.0 87.76 ? 66 HIS B CD2 1 68 . B ATOM 475 C CE1 . HIS B 1 68 ? -36.607 63.568 10.831 1.0 85.45 ? 66 HIS B CE1 1 68 . B ATOM 476 N NE2 . HIS B 1 68 ? -35.600 64.424 10.837 1.0 87.02 ? 66 HIS B NE2 1 68 . B ATOM 477 N N . PHE B 1 69 ? -31.545 59.951 8.623 1.0 94.22 ? 67 PHE B N 1 69 . B ATOM 478 C CA . PHE B 1 69 ? -30.651 58.794 8.598 1.0 98.35 ? 67 PHE B CA 1 69 . B ATOM 479 C C . PHE B 1 69 ? -30.230 58.357 7.206 1.0 98.41 ? 67 PHE B C 1 69 . B ATOM 480 O O . PHE B 1 69 ? -29.832 57.209 7.002 1.0 100.75 ? 67 PHE B O 1 69 . B ATOM 481 C CB . PHE B 1 69 ? -31.266 57.624 9.355 1.0 98.8 ? 67 PHE B CB 1 69 . B ATOM 482 C CG . PHE B 1 69 ? -31.551 57.938 10.774 1.0 100.53 ? 67 PHE B CG 1 69 . B ATOM 483 C CD1 . PHE B 1 69 ? -30.568 57.792 11.732 1.0 103.97 ? 67 PHE B CD1 1 69 . B ATOM 484 C CD2 . PHE B 1 69 ? -32.791 58.419 11.153 1.0 98.97 ? 67 PHE B CD2 1 69 . B ATOM 485 C CE1 . PHE B 1 69 ? -30.821 58.102 13.053 1.0 105.07 ? 67 PHE B CE1 1 69 . B ATOM 486 C CE2 . PHE B 1 69 ? -33.054 58.732 12.473 1.0 99.21 ? 67 PHE B CE2 1 69 . B ATOM 487 C CZ . PHE B 1 69 ? -32.070 58.571 13.424 1.0 102.47 ? 67 PHE B CZ 1 69 . B ATOM 488 N N . ILE B 1 70 ? -30.309 59.277 6.255 1.0 95.63 ? 68 ILE B N 1 70 . B ATOM 489 C CA . ILE B 1 70 ? -29.798 59.019 4.922 1.0 95.07 ? 68 ILE B CA 1 70 . B ATOM 490 C C . ILE B 1 70 ? -28.579 59.888 4.646 1.0 96.79 ? 68 ILE B C 1 70 . B ATOM 491 O O . ILE B 1 70 ? -28.648 61.112 4.753 1.0 94.4 ? 68 ILE B O 1 70 . B ATOM 492 C CB . ILE B 1 70 ? -30.859 59.295 3.872 1.0 94.01 ? 68 ILE B CB 1 70 . B ATOM 493 C CG1 . ILE B 1 70 ? -32.038 58.346 4.067 1.0 89.18 ? 68 ILE B CG1 1 70 . B ATOM 494 C CG2 . ILE B 1 70 ? -30.272 59.118 2.488 1.0 99.52 ? 68 ILE B CG2 1 70 . B ATOM 495 C CD1 . ILE B 1 70 ? -33.291 58.797 3.371 1.0 84.68 ? 68 ILE B CD1 1 70 . B ATOM 496 N N . LYS B 1 71 ? -27.466 59.249 4.294 1.0 101.53 ? 69 LYS B N 1 71 . B ATOM 497 C CA . LYS B 1 71 ? -26.216 59.965 4.048 1.0 108.77 ? 69 LYS B CA 1 71 . B ATOM 498 C C . LYS B 1 71 ? -26.059 60.289 2.572 1.0 112.61 ? 69 LYS B C 1 71 . B ATOM 499 O O . LYS B 1 71 ? -25.619 61.381 2.191 1.0 112.54 ? 69 LYS B O 1 71 . B ATOM 500 C CB . LYS B 1 71 ? -25.010 59.140 4.511 1.0 110.26 ? 69 LYS B CB 1 71 . B ATOM 501 C CG . LYS B 1 71 ? -23.705 59.919 4.507 1.0 111.07 ? 69 LYS B CG 1 71 . B ATOM 502 C CD . LYS B 1 71 ? -22.509 58.999 4.381 1.0 114.94 ? 69 LYS B CD 1 71 . B ATOM 503 C CE . LYS B 1 71 ? -21.221 59.805 4.296 1.0 120.52 ? 69 LYS B CE 1 71 . B ATOM 504 N NZ . LYS B 1 71 ? -20.139 59.098 3.544 1.0 125.14 ? 69 LYS B NZ 1 71 . B ATOM 505 N N . SER B 1 72 ? -26.405 59.315 1.743 1.0 114.53 ? 70 SER B N 1 72 . B ATOM 506 C CA . SER B 1 72 ? -26.295 59.473 0.306 1.0 115.67 ? 70 SER B CA 1 72 . B ATOM 507 C C . SER B 1 72 ? -27.280 58.515 -0.309 1.0 115.33 ? 70 SER B C 1 72 . B ATOM 508 O O . SER B 1 72 ? -27.454 57.393 0.185 1.0 116.5 ? 70 SER B O 1 72 . B ATOM 509 C CB . SER B 1 72 ? -24.888 59.128 -0.170 1.0 116.84 ? 70 SER B CB 1 72 . B ATOM 510 O OG . SER B 1 72 ? -24.674 57.730 -0.097 1.0 116.08 ? 70 SER B OG 1 72 . B ATOM 511 N N . CYS B 1 73 ? -27.934 58.969 -1.373 1.0 112.33 ? 71 CYS B N 1 73 . B ATOM 512 C CA . CYS B 1 73 ? -28.869 58.144 -2.125 1.0 106.5 ? 71 CYS B CA 1 73 . B ATOM 513 C C . CYS B 1 73 ? -28.715 58.411 -3.599 1.0 108.41 ? 71 CYS B C 1 73 . B ATOM 514 O O . CYS B 1 73 ? -29.262 59.384 -4.119 1.0 106.61 ? 71 CYS B O 1 73 . B ATOM 515 C CB . CYS B 1 73 ? -30.310 58.447 -1.743 1.0 101.15 ? 71 CYS B CB 1 73 . B ATOM 516 S SG . CYS B 1 73 ? -31.477 57.821 -2.971 1.0 108.12 ? 71 CYS B SG 1 73 . B ATOM 517 N N . ASN B 1 74 ? -27.977 57.546 -4.277 1.0 112.46 ? 72 ASN B N 1 74 . B ATOM 518 C CA . ASN B 1 74 ? -27.821 57.688 -5.711 1.0 114.86 ? 72 ASN B CA 1 74 . B ATOM 519 C C . ASN B 1 74 ? -28.593 56.632 -6.504 1.0 106.82 ? 72 ASN B C 1 74 . B ATOM 520 O O . ASN B 1 74 ? -28.918 55.562 -5.992 1.0 101.19 ? 72 ASN B O 1 74 . B ATOM 521 C CB . ASN B 1 74 ? -26.337 57.704 -6.093 1.0 124.81 ? 72 ASN B CB 1 74 . B ATOM 522 C CG . ASN B 1 74 ? -25.621 56.428 -5.697 1.0 129.23 ? 72 ASN B CG 1 74 . B ATOM 523 O OD1 . ASN B 1 74 ? -25.173 55.668 -6.564 1.0 133.69 ? 72 ASN B OD1 1 74 . B ATOM 524 N ND2 . ASN B 1 74 ? -25.516 56.179 -4.387 1.0 124.42 ? 72 ASN B ND2 1 74 . B ATOM 525 N N . VAL B 1 75 ? -28.881 56.962 -7.760 1.0 107.31 ? 73 VAL B N 1 75 . B ATOM 526 C CA . VAL B 1 75 ? -29.592 56.090 -8.684 1.0 103.18 ? 73 VAL B CA 1 75 . B ATOM 527 C C . VAL B 1 75 ? -28.731 55.900 -9.936 1.0 108.73 ? 73 VAL B C 1 75 . B ATOM 528 O O . VAL B 1 75 ? -27.598 56.381 -9.989 1.0 110.06 ? 73 VAL B O 1 75 . B ATOM 529 C CB . VAL B 1 75 ? -30.934 56.726 -9.071 1.0 96.84 ? 73 VAL B CB 1 75 . B ATOM 530 C CG1 . VAL B 1 75 ? -31.891 56.721 -7.882 1.0 94.65 ? 73 VAL B CG1 1 75 . B ATOM 531 C CG2 . VAL B 1 75 ? -30.713 58.145 -9.537 1.0 93.43 ? 73 VAL B CG2 1 75 . B ATOM 532 N N . SER B 1 76 ? -29.256 55.194 -10.936 1.0 114.66 ? 74 SER B N 1 76 . B ATOM 533 C CA . SER B 1 76 ? -28.588 55.091 -12.241 1.0 119.69 ? 74 SER B CA 1 76 . B ATOM 534 C C . SER B 1 76 ? -28.426 56.479 -12.862 1.0 126.29 ? 74 SER B C 1 76 . B ATOM 535 O O . SER B 1 76 ? -29.355 57.286 -12.826 1.0 124.07 ? 74 SER B O 1 76 . B ATOM 536 C CB . SER B 1 76 ? -29.393 54.201 -13.202 1.0 114.24 ? 74 SER B CB 1 76 . B ATOM 537 O OG . SER B 1 76 ? -29.173 52.820 -12.965 1.0 111.6 ? 74 SER B OG 1 76 . B ATOM 538 N N . GLU B 1 77 ? -27.260 56.762 -13.440 1.0 134.19 ? 75 GLU B N 1 77 . B ATOM 539 C CA . GLU B 1 77 ? -27.056 58.062 -14.081 1.0 138.37 ? 75 GLU B CA 1 77 . B ATOM 540 C C . GLU B 1 77 ? -27.919 58.196 -15.342 1.0 136.85 ? 75 GLU B C 1 77 . B ATOM 541 O O . GLU B 1 77 ? -27.933 59.239 -15.993 1.0 137.4 ? 75 GLU B O 1 77 . B ATOM 542 C CB . GLU B 1 77 ? -25.575 58.326 -14.377 1.0 143.68 ? 75 GLU B CB 1 77 . B ATOM 543 C CG . GLU B 1 77 ? -25.248 59.804 -14.603 1.0 147.04 ? 75 GLU B CG 1 77 . B ATOM 544 C CD . GLU B 1 77 ? -23.880 60.210 -14.053 1.0 150.8 ? 75 GLU B CD 1 77 . B ATOM 545 O OE1 . GLU B 1 77 ? -22.989 60.572 -14.858 1.0 154.08 ? 75 GLU B OE1 1 77 . B ATOM 546 O OE2 . GLU B 1 77 ? -23.697 60.171 -12.815 1.0 148.71 ? 75 GLU B OE2 1 77 . B ATOM 547 N N . ASP B 1 78 ? -28.641 57.131 -15.672 1.0 134.72 ? 76 ASP B N 1 78 . B ATOM 548 C CA . ASP B 1 78 ? -29.673 57.195 -16.700 1.0 139.34 ? 76 ASP B CA 1 78 . B ATOM 549 C C . ASP B 1 78 ? -31.000 56.709 -16.122 1.0 134.04 ? 76 ASP B C 1 78 . B ATOM 550 O O . ASP B 1 78 ? -31.590 55.723 -16.584 1.0 131.68 ? 76 ASP B O 1 78 . B ATOM 551 C CB . ASP B 1 78 ? -29.278 56.390 -17.943 1.0 149.99 ? 76 ASP B CB 1 78 . B ATOM 552 C CG . ASP B 1 78 ? -28.810 54.987 -17.611 1.0 156.43 ? 76 ASP B CG 1 78 . B ATOM 553 O OD1 . ASP B 1 78 ? -28.272 54.317 -18.523 1.0 158.27 ? 76 ASP B OD1 1 78 . B ATOM 554 O OD2 . ASP B 1 78 ? -28.976 54.562 -16.444 1.0 157.91 ? 76 ASP B OD2 1 78 . B ATOM 555 N N . PHE B 1 79 ? -31.456 57.434 -15.106 1.0 129.78 ? 77 PHE B N 1 79 . B ATOM 556 C CA . PHE B 1 79 ? -32.594 57.037 -14.285 1.0 122.07 ? 77 PHE B CA 1 79 . B ATOM 557 C C . PHE B 1 79 ? -33.903 57.641 -14.782 1.0 115.19 ? 77 PHE B C 1 79 . B ATOM 558 O O . PHE B 1 79 ? -33.976 58.819 -15.126 1.0 113.64 ? 77 PHE B O 1 79 . B ATOM 559 C CB . PHE B 1 79 ? -32.325 57.447 -12.826 1.0 119.47 ? 77 PHE B CB 1 79 . B ATOM 560 C CG . PHE B 1 79 ? -33.530 57.374 -11.927 1.0 114.77 ? 77 PHE B CG 1 79 . B ATOM 561 C CD1 . PHE B 1 79 ? -33.903 56.179 -11.340 1.0 112.34 ? 77 PHE B CD1 1 79 . B ATOM 562 C CD2 . PHE B 1 79 ? -34.274 58.510 -11.650 1.0 112.52 ? 77 PHE B CD2 1 79 . B ATOM 563 C CE1 . PHE B 1 79 ? -35.005 56.115 -10.515 1.0 109.02 ? 77 PHE B CE1 1 79 . B ATOM 564 C CE2 . PHE B 1 79 ? -35.378 58.450 -10.821 1.0 109.32 ? 77 PHE B CE2 1 79 . B ATOM 565 C CZ . PHE B 1 79 ? -35.743 57.252 -10.254 1.0 107.22 ? 77 PHE B CZ 1 79 . B ATOM 566 N N . GLU B 1 80 ? -34.938 56.821 -14.830 1.0 112.24 ? 78 GLU B N 1 80 . B ATOM 567 C CA . GLU B 1 80 ? -36.268 57.330 -15.103 1.0 113.26 ? 78 GLU B CA 1 80 . B ATOM 568 C C . GLU B 1 80 ? -37.183 56.835 -14.004 1.0 108.32 ? 78 GLU B C 1 80 . B ATOM 569 O O . GLU B 1 80 ? -37.278 55.631 -13.751 1.0 108.32 ? 78 GLU B O 1 80 . B ATOM 570 C CB . GLU B 1 80 ? -36.781 56.883 -16.480 1.0 117.19 ? 78 GLU B CB 1 80 . B ATOM 571 C CG . GLU B 1 80 ? -38.204 57.350 -16.804 1.0 119.36 ? 78 GLU B CG 1 80 . B ATOM 572 C CD . GLU B 1 80 ? -38.688 56.868 -18.172 1.0 124.99 ? 78 GLU B CD 1 80 . B ATOM 573 O OE1 . GLU B 1 80 ? -37.853 56.818 -19.103 1.0 130.65 ? 78 GLU B OE1 1 80 . B ATOM 574 O OE2 . GLU B 1 80 ? -39.897 56.546 -18.322 1.0 121.69 ? 78 GLU B OE2 1 80 . B ATOM 575 N N . MET B 1 81 ? -37.843 57.769 -13.337 1.0 102.12 ? 79 MET B N 1 81 . B ATOM 576 C CA . MET B 1 81 ? -38.762 57.400 -12.282 1.0 96.19 ? 79 MET B CA 1 81 . B ATOM 577 C C . MET B 1 81 ? -39.983 56.708 -12.849 1.0 88.77 ? 79 MET B C 1 81 . B ATOM 578 O O . MET B 1 81 ? -40.950 57.356 -13.242 1.0 86.62 ? 79 MET B O 1 81 . B ATOM 579 C CB . MET B 1 81 ? -39.196 58.626 -11.500 1.0 98.4 ? 79 MET B CB 1 81 . B ATOM 580 C CG . MET B 1 81 ? -39.940 58.289 -10.228 1.0 97.45 ? 79 MET B CG 1 81 . B ATOM 581 S SD . MET B 1 81 ? -40.498 59.795 -9.433 1.0 108.59 ? 79 MET B SD 1 81 . B ATOM 582 C CE . MET B 1 81 ? -39.038 60.828 -9.634 1.0 158.54 ? 79 MET B CE 1 81 . B ATOM 583 N N . ARG B 1 82 ? -39.923 55.386 -12.905 1.0 86.6 ? 80 ARG B N 1 82 . B ATOM 584 C CA . ARG B 1 82 ? -41.096 54.588 -13.237 1.0 86.49 ? 80 ARG B CA 1 82 . B ATOM 585 C C . ARG B 1 82 ? -41.120 53.326 -12.381 1.0 81.92 ? 80 ARG B C 1 82 . B ATOM 586 O O . ARG B 1 82 ? -40.096 52.904 -11.828 1.0 81.99 ? 80 ARG B O 1 82 . B ATOM 587 C CB . ARG B 1 82 ? -41.145 54.252 -14.730 1.0 89.2 ? 80 ARG B CB 1 82 . B ATOM 588 C CG . ARG B 1 82 ? -39.970 53.424 -15.220 1.0 95.76 ? 80 ARG B CG 1 82 . B ATOM 589 C CD . ARG B 1 82 ? -39.722 53.591 -16.726 1.0 103.21 ? 80 ARG B CD 1 82 . B ATOM 590 N NE . ARG B 1 82 ? -40.688 52.866 -17.552 1.0 111.22 ? 80 ARG B NE 1 82 . B ATOM 591 C CZ . ARG B 1 82 ? -41.768 53.414 -18.110 1.0 113.15 ? 80 ARG B CZ 1 82 . B ATOM 592 N NH1 . ARG B 1 82 ? -42.019 54.712 -17.923 1.0 115.25 ? 80 ARG B NH1 1 82 . B ATOM 593 N NH2 . ARG B 1 82 ? -42.592 52.667 -18.852 1.0 107.76 ? 80 ARG B NH2 1 82 . B ATOM 594 N N . VAL B 1 83 ? -42.297 52.741 -12.238 1.0 74.84 ? 81 VAL B N 1 83 . B ATOM 595 C CA . VAL B 1 83 ? -42.395 51.531 -11.458 1.0 70.91 ? 81 VAL B CA 1 83 . B ATOM 596 C C . VAL B 1 83 ? -41.343 50.548 -11.931 1.0 76.02 ? 81 VAL B C 1 83 . B ATOM 597 O O . VAL B 1 83 ? -41.159 50.354 -13.131 1.0 82.03 ? 81 VAL B O 1 83 . B ATOM 598 C CB . VAL B 1 83 ? -43.746 50.872 -11.643 1.0 67.05 ? 81 VAL B CB 1 83 . B ATOM 599 C CG1 . VAL B 1 83 ? -43.748 49.516 -10.952 1.0 63.52 ? 81 VAL B CG1 1 83 . B ATOM 600 C CG2 . VAL B 1 83 ? -44.861 51.799 -11.153 1.0 65.53 ? 81 VAL B CG2 1 83 . B ATOM 601 N N . GLY B 1 84 ? -40.656 49.924 -10.987 1.0 73.61 ? 82 GLY B N 1 84 . B ATOM 602 C CA . GLY B 1 84 ? -39.647 48.936 -11.307 1.0 71.97 ? 82 GLY B CA 1 84 . B ATOM 603 C C . GLY B 1 84 ? -38.241 49.423 -11.021 1.0 71.08 ? 82 GLY B C 1 84 . B ATOM 604 O O . GLY B 1 84 ? -37.347 48.612 -10.769 1.0 71.66 ? 82 GLY B O 1 84 . B ATOM 605 N N . CYS B 1 85 ? -38.049 50.743 -11.051 1.0 70.4 ? 83 CYS B N 1 85 . B ATOM 606 C CA . CYS B 1 85 ? -36.717 51.333 -10.906 1.0 78.4 ? 83 CYS B CA 1 85 . B ATOM 607 C C . CYS B 1 85 ? -36.199 51.283 -9.472 1.0 77.54 ? 83 CYS B C 1 85 . B ATOM 608 O O . CYS B 1 85 ? -36.986 51.208 -8.535 1.0 81.8 ? 83 CYS B O 1 85 . B ATOM 609 C CB . CYS B 1 85 ? -36.694 52.777 -11.427 1.0 84.02 ? 83 CYS B CB 1 85 . B ATOM 610 S SG . CYS B 1 85 ? -37.689 53.962 -10.490 1.0 111.31 ? 83 CYS B SG 1 85 . B ATOM 611 N N . THR B 1 86 ? -34.879 51.332 -9.304 1.0 72.51 ? 84 THR B N 1 86 . B ATOM 612 C CA . THR B 1 86 ? -34.276 51.104 -7.995 1.0 73.59 ? 84 THR B CA 1 86 . B ATOM 613 C C . THR B 1 86 ? -33.451 52.283 -7.488 1.0 76.33 ? 84 THR B C 1 86 . B ATOM 614 O O . THR B 1 86 ? -33.124 53.182 -8.247 1.0 80.26 ? 84 THR B O 1 86 . B ATOM 615 C CB . THR B 1 86 ? -33.406 49.830 -7.984 1.0 76.8 ? 84 THR B CB 1 86 . B ATOM 616 O OG1 . THR B 1 86 ? -32.390 49.937 -8.982 1.0 82.49 ? 84 THR B OG1 1 86 . B ATOM 617 C CG2 . THR B 1 86 ? -34.251 48.596 -8.269 1.0 75.04 ? 84 THR B CG2 1 86 . B ATOM 618 N N . ARG B 1 87 ? -33.139 52.282 -6.197 1.0 76.94 ? 85 ARG B N 1 87 . B ATOM 619 C CA . ARG B 1 87 ? -32.324 53.333 -5.594 1.0 82.36 ? 85 ARG B CA 1 87 . B ATOM 620 C C . ARG B 1 87 ? -31.498 52.733 -4.461 1.0 88.05 ? 85 ARG B C 1 87 . B ATOM 621 O O . ARG B 1 87 ? -32.015 51.977 -3.644 1.0 93.39 ? 85 ARG B O 1 87 . B ATOM 622 C CB . ARG B 1 87 ? -33.193 54.488 -5.068 1.0 82.72 ? 85 ARG B CB 1 87 . B ATOM 623 C CG . ARG B 1 87 ? -33.961 54.187 -3.770 1.0 85.04 ? 85 ARG B CG 1 87 . B ATOM 624 C CD . ARG B 1 87 ? -34.884 55.339 -3.324 1.0 84.9 ? 85 ARG B CD 1 87 . B ATOM 625 N NE . ARG B 1 87 ? -35.757 54.945 -2.214 1.0 82.66 ? 85 ARG B NE 1 87 . B ATOM 626 C CZ . ARG B 1 87 ? -36.797 55.652 -1.772 1.0 81.97 ? 85 ARG B CZ 1 87 . B ATOM 627 N NH1 . ARG B 1 87 ? -37.118 56.810 -2.335 1.0 81.61 ? 85 ARG B NH1 1 87 . B ATOM 628 N NH2 . ARG B 1 87 ? -37.526 55.198 -0.759 1.0 81.11 ? 85 ARG B NH2 1 87 . B ATOM 629 N N . ASP B 1 88 ? -30.209 53.043 -4.426 1.0 88.4 ? 86 ASP B N 1 88 . B ATOM 630 C CA . ASP B 1 88 ? -29.379 52.615 -3.317 1.0 91.46 ? 86 ASP B CA 1 88 . B ATOM 631 C C . ASP B 1 88 ? -29.327 53.754 -2.315 1.0 91.58 ? 86 ASP B C 1 88 . B ATOM 632 O O . ASP B 1 88 ? -29.098 54.902 -2.697 1.0 90.52 ? 86 ASP B O 1 88 . B ATOM 633 C CB . ASP B 1 88 ? -27.970 52.277 -3.797 1.0 98.35 ? 86 ASP B CB 1 88 . B ATOM 634 C CG . ASP B 1 88 ? -27.881 50.901 -4.440 1.0 103.99 ? 86 ASP B CG 1 88 . B ATOM 635 O OD1 . ASP B 1 88 ? -28.481 50.694 -5.516 1.0 103.51 ? 86 ASP B OD1 1 88 . B ATOM 636 O OD2 . ASP B 1 88 ? -27.195 50.024 -3.868 1.0 108.32 ? 86 ASP B OD2 1 88 . B ATOM 637 N N . VAL B 1 89 ? -29.571 53.455 -1.042 1.0 94.38 ? 87 VAL B N 1 89 . B ATOM 638 C CA . VAL B 1 89 ? -29.394 54.466 0.005 1.0 97.54 ? 87 VAL B CA 1 89 . B ATOM 639 C C . VAL B 1 89 ? -28.365 53.999 1.012 1.0 100.55 ? 87 VAL B C 1 89 . B ATOM 640 O O . VAL B 1 89 ? -28.356 52.830 1.406 1.0 100.62 ? 87 VAL B O 1 89 . B ATOM 641 C CB . VAL B 1 89 ? -30.700 54.808 0.766 1.0 79.33 ? 87 VAL B CB 1 89 . B ATOM 642 C CG1 . VAL B 1 89 ? -31.842 55.092 -0.205 1.0 76.22 ? 87 VAL B CG1 1 89 . B ATOM 643 C CG2 . VAL B 1 89 ? -31.072 53.680 1.687 1.0 81.54 ? 87 VAL B CG2 1 89 . B ATOM 644 N N . ASN B 1 90 ? -27.481 54.906 1.408 1.0 103.67 ? 88 ASN B N 1 90 . B ATOM 645 C CA . ASN B 1 90 ? -26.607 54.629 2.531 1.0 107.94 ? 88 ASN B CA 1 90 . B ATOM 646 C C . ASN B 1 90 ? -27.174 55.204 3.802 1.0 105.58 ? 88 ASN B C 1 90 . B ATOM 647 O O . ASN B 1 90 ? -27.281 56.421 3.950 1.0 105.45 ? 88 ASN B O 1 90 . B ATOM 648 C CB . ASN B 1 90 ? -25.202 55.144 2.287 1.0 115.05 ? 88 ASN B CB 1 90 . B ATOM 649 C CG . ASN B 1 90 ? -24.280 54.056 1.811 1.0 119.8 ? 88 ASN B CG 1 90 . B ATOM 650 O OD1 . ASN B 1 90 ? -24.420 53.564 0.684 1.0 118.98 ? 88 ASN B OD1 1 90 . B ATOM 651 N ND2 . ASN B 1 90 ? -23.347 53.644 2.674 1.0 120.94 ? 88 ASN B ND2 1 90 . B ATOM 652 N N . VAL B 1 91 ? -27.552 54.307 4.707 1.0 105.02 ? 89 VAL B N 1 91 . B ATOM 653 C CA . VAL B 1 91 ? -28.167 54.678 5.973 1.0 103.88 ? 89 VAL B CA 1 91 . B ATOM 654 C C . VAL B 1 91 ? -27.128 54.819 7.072 1.0 108.15 ? 89 VAL B C 1 91 . B ATOM 655 O O . VAL B 1 91 ? -26.214 53.999 7.172 1.0 109.07 ? 89 VAL B O 1 91 . B ATOM 656 C CB . VAL B 1 91 ? -29.167 53.603 6.431 1.0 99.71 ? 89 VAL B CB 1 91 . B ATOM 657 C CG1 . VAL B 1 91 ? -29.695 53.927 7.812 1.0 97.81 ? 89 VAL B CG1 1 91 . B ATOM 658 C CG2 . VAL B 1 91 ? -30.298 53.475 5.444 1.0 96.97 ? 89 VAL B CG2 1 91 . B ATOM 659 N N . ILE B 1 92 ? -27.264 55.858 7.893 1.0 112.78 ? 90 ILE B N 1 92 . B ATOM 660 C CA . ILE B 1 92 ? -26.519 55.920 9.147 1.0 120.65 ? 90 ILE B CA 1 92 . B ATOM 661 C C . ILE B 1 92 ? -27.275 55.177 10.232 1.0 122.19 ? 90 ILE B C 1 92 . B ATOM 662 O O . ILE B 1 92 ? -28.346 55.604 10.656 1.0 115.45 ? 90 ILE B O 1 92 . B ATOM 663 C CB . ILE B 1 92 ? -26.267 57.361 9.632 1.0 122.89 ? 90 ILE B CB 1 92 . B ATOM 664 C CG1 . ILE B 1 92 ? -27.316 58.319 9.059 1.0 122.2 ? 90 ILE B CG1 1 92 . B ATOM 665 C CG2 . ILE B 1 92 ? -24.854 57.804 9.275 1.0 125.39 ? 90 ILE B CG2 1 92 . B ATOM 666 C CD1 . ILE B 1 92 ? -27.034 59.793 9.351 1.0 123.36 ? 90 ILE B CD1 1 92 . B ATOM 667 N N . SER B 1 93 ? -26.723 54.045 10.652 1.0 133.15 ? 91 SER B N 1 93 . B ATOM 668 C CA . SER B 1 93 ? -27.219 53.338 11.827 1.0 141.19 ? 91 SER B CA 1 93 . B ATOM 669 C C . SER B 1 93 ? -26.064 53.205 12.816 1.0 147.12 ? 91 SER B C 1 93 . B ATOM 670 O O . SER B 1 93 ? -26.108 52.389 13.740 1.0 147.95 ? 91 SER B O 1 93 . B ATOM 671 C CB . SER B 1 93 ? -27.807 51.967 11.463 1.0 143.48 ? 91 SER B CB 1 93 . B ATOM 672 O OG . SER B 1 93 ? -26.842 51.128 10.848 1.0 148.52 ? 91 SER B OG 1 93 . B ATOM 673 N N . GLY B 1 94 ? -25.035 54.028 12.606 1.0 150.71 ? 92 GLY B N 1 94 . B ATOM 674 C CA . GLY B 1 94 ? -23.857 54.046 13.457 1.0 155.37 ? 92 GLY B CA 1 94 . B ATOM 675 C C . GLY B 1 94 ? -23.031 52.801 13.234 1.0 159.11 ? 92 GLY B C 1 94 . B ATOM 676 O O . GLY B 1 94 ? -21.857 52.733 13.598 1.0 160.96 ? 92 GLY B O 1 94 . B ATOM 677 N N . LEU B 1 95 ? -23.672 51.812 12.622 1.0 160.05 ? 93 LEU B N 1 95 . B ATOM 678 C CA . LEU B 1 95 ? -23.056 50.537 12.314 1.0 163.59 ? 93 LEU B CA 1 95 . B ATOM 679 C C . LEU B 1 95 ? -22.555 50.598 10.879 1.0 163.65 ? 93 LEU B C 1 95 . B ATOM 680 O O . LEU B 1 95 ? -23.213 51.186 10.021 1.0 158.37 ? 93 LEU B O 1 95 . B ATOM 681 C CB . LEU B 1 95 ? -24.083 49.415 12.484 1.0 162.8 ? 93 LEU B CB 1 95 . B ATOM 682 C CG . LEU B 1 95 ? -24.995 49.547 13.713 1.0 160.7 ? 93 LEU B CG 1 95 . B ATOM 683 C CD1 . LEU B 1 95 ? -26.150 48.546 13.667 1.0 157.24 ? 93 LEU B CD1 1 95 . B ATOM 684 C CD2 . LEU B 1 95 ? -24.202 49.427 15.018 1.0 163.73 ? 93 LEU B CD2 1 95 . B ATOM 685 N N . PRO B 1 96 ? -21.401 49.964 10.616 1.0 170.38 ? 94 PRO B N 1 96 . B ATOM 686 C CA . PRO B 1 96 ? -20.578 50.038 9.406 1.0 173.86 ? 94 PRO B CA 1 96 . B ATOM 687 C C . PRO B 1 96 ? -21.143 50.905 8.275 1.0 171.21 ? 94 PRO B C 1 96 . B ATOM 688 O O . PRO B 1 96 ? -21.475 52.071 8.504 1.0 172.06 ? 94 PRO B O 1 96 . B ATOM 689 C CB . PRO B 1 96 ? -20.486 48.569 8.982 1.0 176.0 ? 94 PRO B CB 1 96 . B ATOM 690 C CG . PRO B 1 96 ? -20.665 47.777 10.306 1.0 176.24 ? 94 PRO B CG 1 96 . B ATOM 691 C CD . PRO B 1 96 ? -21.029 48.774 11.394 1.0 174.1 ? 94 PRO B CD 1 96 . B ATOM 692 N N . ALA B 1 97 ? -21.227 50.345 7.070 1.0 166.49 ? 95 ALA B N 1 97 . B ATOM 693 C CA . ALA B 1 97 ? -21.677 51.096 5.902 1.0 159.07 ? 95 ALA B CA 1 97 . B ATOM 694 C C . ALA B 1 97 ? -22.992 50.550 5.365 1.0 151.36 ? 95 ALA B C 1 97 . B ATOM 695 O O . ALA B 1 97 ? -23.100 50.236 4.180 1.0 151.03 ? 95 ALA B O 1 97 . B ATOM 696 C CB . ALA B 1 97 ? -20.608 51.081 4.815 1.0 161.15 ? 95 ALA B CB 1 97 . B ATOM 697 N N . ASN B 1 98 ? -23.986 50.446 6.244 1.0 145.01 ? 96 ASN B N 1 98 . B ATOM 698 C CA . ASN B 1 98 ? -25.298 49.906 5.895 1.0 139.75 ? 96 ASN B CA 1 98 . B ATOM 699 C C . ASN B 1 98 ? -25.842 50.451 4.570 1.0 132.54 ? 96 ASN B C 1 98 . B ATOM 700 O O . ASN B 1 98 ? -26.100 51.652 4.447 1.0 130.57 ? 96 ASN B O 1 98 . B ATOM 701 C CB . ASN B 1 98 ? -26.292 50.189 7.027 1.0 141.95 ? 96 ASN B CB 1 98 . B ATOM 702 C CG . ASN B 1 98 ? -27.523 49.294 6.968 1.0 144.5 ? 96 ASN B CG 1 98 . B ATOM 703 O OD1 . ASN B 1 98 ? -27.488 48.210 6.382 1.0 147.98 ? 96 ASN B OD1 1 98 . B ATOM 704 N ND2 . ASN B 1 98 ? -28.618 49.741 7.584 1.0 141.82 ? 96 ASN B ND2 1 98 . B ATOM 705 N N . THR B 1 99 ? -26.012 49.568 3.583 1.0 127.76 ? 97 THR B N 1 99 . B ATOM 706 C CA . THR B 1 99 ? -26.569 49.953 2.280 1.0 121.04 ? 97 THR B CA 1 99 . B ATOM 707 C C . THR B 1 99 ? -27.895 49.252 1.997 1.0 114.58 ? 97 THR B C 1 99 . B ATOM 708 O O . THR B 1 99 ? -28.106 48.118 2.415 1.0 117.53 ? 97 THR B O 1 99 . B ATOM 709 C CB . THR B 1 99 ? -25.614 49.651 1.124 1.0 121.42 ? 97 THR B CB 1 99 . B ATOM 710 O OG1 . THR B 1 99 ? -25.857 50.584 0.066 1.0 120.07 ? 97 THR B OG1 1 99 . B ATOM 711 C CG2 . THR B 1 99 ? -25.835 48.233 0.606 1.0 120.73 ? 97 THR B CG2 1 99 . B ATOM 712 N N . SER B 1 100 ? -28.780 49.919 1.269 1.0 105.99 ? 98 SER B N 1 100 . B ATOM 713 C CA . SER B 1 100 ? -30.169 49.486 1.216 1.0 101.79 ? 98 SER B CA 1 100 . B ATOM 714 C C . SER B 1 100 ? -30.782 49.674 -0.170 1.0 100.42 ? 98 SER B C 1 100 . B ATOM 715 O O . SER B 1 100 ? -31.042 50.803 -0.581 1.0 102.46 ? 98 SER B O 1 100 . B ATOM 716 C CB . SER B 1 100 ? -30.964 50.274 2.264 1.0 99.95 ? 98 SER B CB 1 100 . B ATOM 717 O OG . SER B 1 100 ? -32.334 49.916 2.293 1.0 98.95 ? 98 SER B OG 1 100 . B ATOM 718 N N . ARG B 1 101 ? -31.017 48.576 -0.888 1.0 96.52 ? 99 ARG B N 1 101 . B ATOM 719 C CA . ARG B 1 101 ? -31.550 48.667 -2.243 1.0 95.07 ? 99 ARG B CA 1 101 . B ATOM 720 C C . ARG B 1 101 ? -33.080 48.701 -2.258 1.0 90.16 ? 99 ARG B C 1 101 . B ATOM 721 O O . ARG B 1 101 ? -33.748 47.779 -1.785 1.0 89.09 ? 99 ARG B O 1 101 . B ATOM 722 C CB . ARG B 1 101 ? -31.015 47.541 -3.132 1.0 103.6 ? 99 ARG B CB 1 101 . B ATOM 723 C CG . ARG B 1 101 ? -31.083 47.859 -4.634 1.0 111.38 ? 99 ARG B CG 1 101 . B ATOM 724 C CD . ARG B 1 101 ? -30.518 46.735 -5.520 1.0 120.18 ? 99 ARG B CD 1 101 . B ATOM 725 N NE . ARG B 1 101 ? -31.443 45.605 -5.661 1.0 125.91 ? 99 ARG B NE 1 101 . B ATOM 726 C CZ . ARG B 1 101 ? -31.328 44.639 -6.576 1.0 130.48 ? 99 ARG B CZ 1 101 . B ATOM 727 N NH1 . ARG B 1 101 ? -30.320 44.658 -7.441 1.0 134.62 ? 99 ARG B NH1 1 101 . B ATOM 728 N NH2 . ARG B 1 101 ? -32.223 43.653 -6.632 1.0 127.81 ? 99 ARG B NH2 1 101 . B ATOM 729 N N . GLU B 1 102 ? -33.625 49.772 -2.822 1.0 86.79 ? 100 GLU B N 1 102 . B ATOM 730 C CA . GLU B 1 102 ? -35.057 50.022 -2.780 1.0 84.03 ? 100 GLU B CA 1 102 . B ATOM 731 C C . GLU B 1 102 ? -35.703 50.161 -4.169 1.0 84.17 ? 100 GLU B C 1 102 . B ATOM 732 O O . GLU B 1 102 ? -35.271 50.967 -4.995 1.0 87.25 ? 100 GLU B O 1 102 . B ATOM 733 C CB . GLU B 1 102 ? -35.318 51.267 -1.948 1.0 83.7 ? 100 GLU B CB 1 102 . B ATOM 734 C CG . GLU B 1 102 ? -34.621 51.210 -0.610 1.0 89.79 ? 100 GLU B CG 1 102 . B ATOM 735 C CD . GLU B 1 102 ? -35.056 52.305 0.341 1.0 92.44 ? 100 GLU B CD 1 102 . B ATOM 736 O OE1 . GLU B 1 102 ? -35.570 53.346 -0.121 1.0 92.7 ? 100 GLU B OE1 1 102 . B ATOM 737 O OE2 . GLU B 1 102 ? -34.873 52.118 1.559 1.0 95.48 ? 100 GLU B OE2 1 102 . B ATOM 738 N N . ARG B 1 103 ? -36.745 49.372 -4.412 1.0 76.84 ? 101 ARG B N 1 103 . B ATOM 739 C CA . ARG B 1 103 ? -37.439 49.386 -5.681 1.0 73.8 ? 101 ARG B CA 1 103 . B ATOM 740 C C . ARG B 1 103 ? -38.790 50.082 -5.594 1.0 74.59 ? 101 ARG B C 1 103 . B ATOM 741 O O . ARG B 1 103 ? -39.564 49.837 -4.683 1.0 75.59 ? 101 ARG B O 1 103 . B ATOM 742 C CB . ARG B 1 103 ? -37.658 47.961 -6.155 1.0 73.68 ? 101 ARG B CB 1 103 . B ATOM 743 C CG . ARG B 1 103 ? -38.763 47.855 -7.175 1.0 72.31 ? 101 ARG B CG 1 103 . B ATOM 744 C CD . ARG B 1 103 ? -39.163 46.417 -7.381 1.0 74.71 ? 101 ARG B CD 1 103 . B ATOM 745 N NE . ARG B 1 103 ? -39.997 45.926 -6.295 1.0 75.5 ? 101 ARG B NE 1 103 . B ATOM 746 C CZ . ARG B 1 103 ? -40.041 44.654 -5.924 1.0 77.17 ? 101 ARG B CZ 1 103 . B ATOM 747 N NH1 . ARG B 1 103 ? -39.285 43.762 -6.547 1.0 78.12 ? 101 ARG B NH1 1 103 . B ATOM 748 N NH2 . ARG B 1 103 ? -40.826 44.280 -4.926 1.0 77.32 ? 101 ARG B NH2 1 103 . B ATOM 749 N N . LEU B 1 104 ? -39.089 50.937 -6.560 1.0 74.88 ? 102 LEU B N 1 104 . B ATOM 750 C CA . LEU B 1 104 ? -40.385 51.600 -6.592 1.0 71.38 ? 102 LEU B CA 1 104 . B ATOM 751 C C . LEU B 1 104 ? -41.484 50.629 -7.061 1.0 70.64 ? 102 LEU B C 1 104 . B ATOM 752 O O . LEU B 1 104 ? -41.327 49.984 -8.091 1.0 72.05 ? 102 LEU B O 1 104 . B ATOM 753 C CB . LEU B 1 104 ? -40.302 52.813 -7.504 1.0 66.93 ? 102 LEU B CB 1 104 . B ATOM 754 C CG . LEU B 1 104 ? -41.526 53.711 -7.523 1.0 66.35 ? 102 LEU B CG 1 104 . B ATOM 755 C CD1 . LEU B 1 104 ? -41.767 54.333 -6.169 1.0 62.82 ? 102 LEU B CD1 1 104 . B ATOM 756 C CD2 . LEU B 1 104 ? -41.339 54.785 -8.574 1.0 71.13 ? 102 LEU B CD2 1 104 . B ATOM 757 N N . ASP B 1 105 ? -42.580 50.513 -6.306 1.0 67.59 ? 103 ASP B N 1 105 . B ATOM 758 C CA . ASP B 1 105 ? -43.642 49.544 -6.622 1.0 67.84 ? 103 ASP B CA 1 105 . B ATOM 759 C C . ASP B 1 105 ? -44.850 50.219 -7.214 1.0 65.29 ? 103 ASP B C 1 105 . B ATOM 760 O O . ASP B 1 105 ? -45.703 49.595 -7.837 1.0 64.3 ? 103 ASP B O 1 105 . B ATOM 761 C CB . ASP B 1 105 ? -44.151 48.853 -5.361 1.0 69.06 ? 103 ASP B CB 1 105 . B ATOM 762 C CG . ASP B 1 105 ? -43.102 48.031 -4.672 1.0 74.23 ? 103 ASP B CG 1 105 . B ATOM 763 O OD1 . ASP B 1 105 ? -42.492 47.160 -5.336 1.0 74.47 ? 103 ASP B OD1 1 105 . B ATOM 764 O OD2 . ASP B 1 105 ? -42.919 48.242 -3.445 1.0 77.61 ? 103 ASP B OD2 1 105 . B ATOM 765 N N . LEU B 1 106 ? -44.935 51.506 -6.977 1.0 65.39 ? 104 LEU B N 1 106 . B ATOM 766 C CA . LEU B 1 106 ? -46.190 52.184 -7.102 1.0 69.08 ? 104 LEU B CA 1 106 . B ATOM 767 C C . LEU B 1 106 ? -45.872 53.640 -7.301 1.0 75.06 ? 104 LEU B C 1 106 . B ATOM 768 O O . LEU B 1 106 ? -45.001 54.205 -6.613 1.0 75.2 ? 104 LEU B O 1 106 . B ATOM 769 C CB . LEU B 1 106 ? -46.931 52.042 -5.788 1.0 71.37 ? 104 LEU B CB 1 106 . B ATOM 770 C CG . LEU B 1 106 ? -48.267 51.338 -5.769 1.0 74.49 ? 104 LEU B CG 1 106 . B ATOM 771 C CD1 . LEU B 1 106 ? -48.897 51.563 -4.409 1.0 71.77 ? 104 LEU B CD1 1 106 . B ATOM 772 C CD2 . LEU B 1 106 ? -49.136 51.900 -6.872 1.0 79.78 ? 104 LEU B CD2 1 106 . B ATOM 773 N N . LEU B 1 107 ? -46.581 54.252 -8.236 1.0 75.84 ? 105 LEU B N 1 107 . B ATOM 774 C CA . LEU B 1 107 ? -46.444 55.672 -8.488 1.0 74.15 ? 105 LEU B CA 1 107 . B ATOM 775 C C . LEU B 1 107 ? -47.633 56.074 -9.333 1.0 77.27 ? 105 LEU B C 1 107 . B ATOM 776 O O . LEU B 1 107 ? -47.848 55.532 -10.419 1.0 81.57 ? 105 LEU B O 1 107 . B ATOM 777 C CB . LEU B 1 107 ? -45.144 55.956 -9.222 1.0 74.38 ? 105 LEU B CB 1 107 . B ATOM 778 C CG . LEU B 1 107 ? -44.626 57.391 -9.169 1.0 80.63 ? 105 LEU B CG 1 107 . B ATOM 779 C CD1 . LEU B 1 107 ? -43.986 57.751 -10.493 1.0 84.95 ? 105 LEU B CD1 1 107 . B ATOM 780 C CD2 . LEU B 1 107 ? -45.740 58.366 -8.846 1.0 82.87 ? 105 LEU B CD2 1 107 . B ATOM 781 N N . ASP B 1 108 ? -48.419 57.010 -8.823 1.0 73.98 ? 106 ASP B N 1 108 . B ATOM 782 C CA . ASP B 1 108 ? -49.623 57.433 -9.506 1.0 72.58 ? 106 ASP B CA 1 108 . B ATOM 783 C C . ASP B 1 108 ? -49.827 58.916 -9.234 1.0 78.34 ? 106 ASP B C 1 108 . B ATOM 784 O O . ASP B 1 108 ? -50.515 59.287 -8.290 1.0 80.91 ? 106 ASP B O 1 108 . B ATOM 785 C CB . ASP B 1 108 ? -50.803 56.601 -9.013 1.0 69.89 ? 106 ASP B CB 1 108 . B ATOM 786 C CG . ASP B 1 108 ? -52.119 56.998 -9.653 1.0 74.25 ? 106 ASP B CG 1 108 . B ATOM 787 O OD1 . ASP B 1 108 ? -53.032 56.128 -9.728 1.0 75.86 ? 106 ASP B OD1 1 108 . B ATOM 788 O OD2 . ASP B 1 108 ? -52.246 58.170 -10.074 1.0 74.1 ? 106 ASP B OD2 1 108 . B ATOM 789 N N . ASP B 1 109 ? -49.209 59.758 -10.059 1.0 81.01 ? 107 ASP B N 1 109 . B ATOM 790 C CA . ASP B 1 109 ? -49.276 61.209 -9.889 1.0 82.64 ? 107 ASP B CA 1 109 . B ATOM 791 C C . ASP B 1 109 ? -50.705 61.721 -9.790 1.0 78.88 ? 107 ASP B C 1 109 . B ATOM 792 O O . ASP B 1 109 ? -50.955 62.793 -9.237 1.0 77.2 ? 107 ASP B O 1 109 . B ATOM 793 C CB . ASP B 1 109 ? -48.582 61.921 -11.051 1.0 89.03 ? 107 ASP B CB 1 109 . B ATOM 794 C CG . ASP B 1 109 ? -47.080 61.787 -11.006 1.0 93.94 ? 107 ASP B CG 1 109 . B ATOM 795 O OD1 . ASP B 1 109 ? -46.490 61.327 -12.015 1.0 96.11 ? 107 ASP B OD1 1 109 . B ATOM 796 O OD2 . ASP B 1 109 ? -46.492 62.148 -9.964 1.0 93.95 ? 107 ASP B OD2 1 109 . B ATOM 797 N N . ASP B 1 110 ? -51.648 60.974 -10.342 1.0 78.27 ? 108 ASP B N 1 110 . B ATOM 798 C CA . ASP B 1 110 ? -53.023 61.430 -10.300 1.0 85.29 ? 108 ASP B CA 1 110 . B ATOM 799 C C . ASP B 1 110 ? -53.572 61.354 -8.894 1.0 83.67 ? 108 ASP B C 1 110 . B ATOM 800 O O . ASP B 1 110 ? -53.944 62.375 -8.325 1.0 86.29 ? 108 ASP B O 1 110 . B ATOM 801 C CB . ASP B 1 110 ? -53.901 60.640 -11.265 1.0 95.22 ? 108 ASP B CB 1 110 . B ATOM 802 C CG . ASP B 1 110 ? -53.854 61.196 -12.676 1.0 103.9 ? 108 ASP B CG 1 110 . B ATOM 803 O OD1 . ASP B 1 110 ? -53.455 62.376 -12.837 1.0 105.18 ? 108 ASP B OD1 1 110 . B ATOM 804 O OD2 . ASP B 1 110 ? -54.216 60.457 -13.620 1.0 107.7 ? 108 ASP B OD2 1 110 . B ATOM 805 N N . ARG B 1 111 ? -53.596 60.142 -8.343 1.0 79.04 ? 109 ARG B N 1 111 . B ATOM 806 C CA . ARG B 1 111 ? -54.163 59.865 -7.028 1.0 75.75 ? 109 ARG B CA 1 111 . B ATOM 807 C C . ARG B 1 111 ? -53.224 60.236 -5.879 1.0 75.42 ? 109 ARG B C 1 111 . B ATOM 808 O O . ARG B 1 111 ? -53.636 60.317 -4.722 1.0 71.62 ? 109 ARG B O 1 111 . B ATOM 809 C CB . ARG B 1 111 ? -54.502 58.381 -6.936 1.0 74.77 ? 109 ARG B CB 1 111 . B ATOM 810 C CG . ARG B 1 111 ? -55.266 57.857 -8.135 1.0 76.47 ? 109 ARG B CG 1 111 . B ATOM 811 C CD . ARG B 1 111 ? -55.515 56.358 -8.024 1.0 76.41 ? 109 ARG B CD 1 111 . B ATOM 812 N NE . ARG B 1 111 ? -56.368 56.025 -6.887 1.0 77.11 ? 109 ARG B NE 1 111 . B ATOM 813 C CZ . ARG B 1 111 ? -56.497 54.799 -6.391 1.0 77.75 ? 109 ARG B CZ 1 111 . B ATOM 814 N NH1 . ARG B 1 111 ? -55.820 53.800 -6.938 1.0 77.63 ? 109 ARG B NH1 1 111 . B ATOM 815 N NH2 . ARG B 1 111 ? -57.292 54.574 -5.349 1.0 76.94 ? 109 ARG B NH2 1 111 . B ATOM 816 N N . ARG B 1 112 ? -51.959 60.458 -6.212 1.0 77.22 ? 110 ARG B N 1 112 . B ATOM 817 C CA . ARG B 1 112 ? -50.925 60.736 -5.221 1.0 75.74 ? 110 ARG B CA 1 112 . B ATOM 818 C C . ARG B 1 112 ? -50.745 59.524 -4.325 1.0 73.42 ? 110 ARG B C 1 112 . B ATOM 819 O O . ARG B 1 112 ? -51.218 59.486 -3.205 1.0 77.31 ? 110 ARG B O 1 112 . B ATOM 820 C CB . ARG B 1 112 ? -51.231 62.003 -4.421 1.0 75.99 ? 110 ARG B CB 1 112 . B ATOM 821 C CG . ARG B 1 112 ? -51.236 63.257 -5.269 1.0 79.32 ? 110 ARG B CG 1 112 . B ATOM 822 C CD . ARG B 1 112 ? -51.188 64.516 -4.424 1.0 86.36 ? 110 ARG B CD 1 112 . B ATOM 823 N NE . ARG B 1 112 ? -51.788 65.669 -5.097 1.0 91.82 ? 110 ARG B NE 1 112 . B ATOM 824 C CZ . ARG B 1 112 ? -53.094 65.935 -5.093 1.0 92.77 ? 110 ARG B CZ 1 112 . B ATOM 825 N NH1 . ARG B 1 112 ? -53.933 65.123 -4.451 1.0 89.33 ? 110 ARG B NH1 1 112 . B ATOM 826 N NH2 . ARG B 1 112 ? -53.562 67.004 -5.732 1.0 93.99 ? 110 ARG B NH2 1 112 . B ATOM 827 N N . VAL B 1 113 ? -50.063 58.526 -4.860 1.0 69.71 ? 111 VAL B N 1 113 . B ATOM 828 C CA . VAL B 1 113 ? -49.762 57.303 -4.159 1.0 66.88 ? 111 VAL B CA 1 113 . B ATOM 829 C C . VAL B 1 113 ? -48.393 56.853 -4.634 1.0 71.02 ? 111 VAL B C 1 113 . B ATOM 830 O O . VAL B 1 113 ? -48.159 56.744 -5.833 1.0 79.64 ? 111 VAL B O 1 113 . B ATOM 831 C CB . VAL B 1 113 ? -50.778 56.205 -4.527 1.0 65.2 ? 111 VAL B CB 1 113 . B ATOM 832 C CG1 . VAL B 1 113 ? -50.286 54.843 -4.077 1.0 65.22 ? 111 VAL B CG1 1 113 . B ATOM 833 C CG2 . VAL B 1 113 ? -52.140 56.509 -3.938 1.0 64.28 ? 111 VAL B CG2 1 113 . B ATOM 834 N N . THR B 1 114 ? -47.474 56.616 -3.715 1.0 68.19 ? 112 THR B N 1 114 . B ATOM 835 C CA . THR B 1 114 ? -46.220 55.967 -4.079 1.0 69.2 ? 112 THR B CA 1 114 . B ATOM 836 C C . THR B 1 114 ? -45.955 54.844 -3.077 1.0 68.65 ? 112 THR B C 1 114 . B ATOM 837 O O . THR B 1 114 ? -46.729 54.659 -2.143 1.0 68.28 ? 112 THR B O 1 114 . B ATOM 838 C CB . THR B 1 114 ? -45.044 56.971 -4.159 1.0 70.0 ? 112 THR B CB 1 114 . B ATOM 839 O OG1 . THR B 1 114 ? -43.841 56.292 -4.541 1.0 73.9 ? 112 THR B OG1 1 114 . B ATOM 840 C CG2 . THR B 1 114 ? -44.826 57.640 -2.834 1.0 67.96 ? 112 THR B CG2 1 114 . B ATOM 841 N N . GLY B 1 115 ? -44.889 54.079 -3.282 1.0 67.75 ? 113 GLY B N 1 115 . B ATOM 842 C CA . GLY B 1 115 ? -44.582 52.961 -2.410 1.0 65.13 ? 113 GLY B CA 1 115 . B ATOM 843 C C . GLY B 1 115 ? -43.348 52.218 -2.860 1.0 66.8 ? 113 GLY B C 1 115 . B ATOM 844 O O . GLY B 1 115 ? -43.084 52.116 -4.051 1.0 72.82 ? 113 GLY B O 1 115 . B ATOM 845 N N . PHE B 1 116 ? -42.582 51.689 -1.919 1.0 66.06 ? 114 PHE B N 1 116 . B ATOM 846 C CA . PHE B 1 116 ? -41.403 50.936 -2.298 1.0 66.11 ? 114 PHE B CA 1 116 . B ATOM 847 C C . PHE B 1 116 ? -41.187 49.685 -1.476 1.0 66.36 ? 114 PHE B C 1 116 . B ATOM 848 O O . PHE B 1 116 ? -41.963 49.361 -0.596 1.0 74.34 ? 114 PHE B O 1 116 . B ATOM 849 C CB . PHE B 1 116 ? -40.180 51.808 -2.188 1.0 66.53 ? 114 PHE B CB 1 116 . B ATOM 850 C CG . PHE B 1 116 ? -39.873 52.220 -0.798 1.0 70.33 ? 114 PHE B CG 1 116 . B ATOM 851 C CD1 . PHE B 1 116 ? -38.944 51.518 -0.043 1.0 72.69 ? 114 PHE B CD1 1 116 . B ATOM 852 C CD2 . PHE B 1 116 ? -40.506 53.316 -0.235 1.0 69.18 ? 114 PHE B CD2 1 116 . B ATOM 853 C CE1 . PHE B 1 116 ? -38.646 51.911 1.251 1.0 67.99 ? 114 PHE B CE1 1 116 . B ATOM 854 C CE2 . PHE B 1 116 ? -40.215 53.706 1.053 1.0 66.45 ? 114 PHE B CE2 1 116 . B ATOM 855 C CZ . PHE B 1 116 ? -39.286 53.001 1.796 1.0 64.62 ? 114 PHE B CZ 1 116 . B ATOM 856 N N . SER B 1 117 ? -40.107 48.990 -1.779 1.0 62.87 ? 115 SER B N 1 117 . B ATOM 857 C CA . SER B 1 117 ? -39.801 47.712 -1.174 1.0 63.99 ? 115 SER B CA 1 117 . B ATOM 858 C C . SER B 1 117 ? -38.301 47.638 -0.973 1.0 71.6 ? 115 SER B C 1 117 . B ATOM 859 O O . SER B 1 117 ? -37.524 47.995 -1.847 1.0 74.08 ? 115 SER B O 1 117 . B ATOM 860 C CB . SER B 1 117 ? -40.232 46.572 -2.095 1.0 63.2 ? 115 SER B CB 1 117 . B ATOM 861 O OG . SER B 1 117 ? -41.640 46.430 -2.160 1.0 61.93 ? 115 SER B OG 1 117 . B ATOM 862 N N . ILE B 1 118 ? -37.874 47.180 0.186 1.0 76.87 ? 116 ILE B N 1 118 . B ATOM 863 C CA . ILE B 1 118 ? -36.456 46.981 0.378 1.0 80.05 ? 116 ILE B CA 1 118 . B ATOM 864 C C . ILE B 1 118 ? -36.128 45.578 -0.089 1.0 86.08 ? 116 ILE B C 1 118 . B ATOM 865 O O . ILE B 1 118 ? -36.477 44.599 0.573 1.0 90.88 ? 116 ILE B O 1 118 . B ATOM 866 C CB . ILE B 1 118 ? -36.067 47.164 1.836 1.0 76.66 ? 116 ILE B CB 1 118 . B ATOM 867 C CG1 . ILE B 1 118 ? -36.321 48.607 2.260 1.0 71.45 ? 116 ILE B CG1 1 118 . B ATOM 868 C CG2 . ILE B 1 118 ? -34.609 46.816 2.041 1.0 81.61 ? 116 ILE B CG2 1 118 . B ATOM 869 C CD1 . ILE B 1 118 ? -36.018 48.857 3.725 1.0 71.13 ? 116 ILE B CD1 1 118 . B ATOM 870 N N . THR B 1 119 ? -35.470 45.481 -1.237 1.0 86.65 ? 117 THR B N 1 119 . B ATOM 871 C CA . THR B 1 119 ? -35.249 44.183 -1.855 1.0 92.19 ? 117 THR B CA 1 119 . B ATOM 872 C C . THR B 1 119 ? -33.904 43.576 -1.466 1.0 101.07 ? 117 THR B C 1 119 . B ATOM 873 O O . THR B 1 119 ? -33.647 42.405 -1.744 1.0 106.06 ? 117 THR B O 1 119 . B ATOM 874 C CB . THR B 1 119 ? -35.367 44.262 -3.386 1.0 89.72 ? 117 THR B CB 1 119 . B ATOM 875 O OG1 . THR B 1 119 ? -34.123 44.692 -3.948 1.0 90.75 ? 117 THR B OG1 1 119 . B ATOM 876 C CG2 . THR B 1 119 ? -36.455 45.246 -3.777 1.0 86.22 ? 117 THR B CG2 1 119 . B ATOM 877 N N . GLY B 1 120 ? -33.056 44.373 -0.820 1.0 102.84 ? 118 GLY B N 1 120 . B ATOM 878 C CA . GLY B 1 120 ? -31.774 43.892 -0.339 1.0 110.75 ? 118 GLY B CA 1 120 . B ATOM 879 C C . GLY B 1 120 ? -30.970 44.952 0.395 1.0 116.53 ? 118 GLY B C 1 120 . B ATOM 880 O O . GLY B 1 120 ? -31.145 46.145 0.161 1.0 115.01 ? 118 GLY B O 1 120 . B ATOM 881 N N . GLY B 1 121 ? -30.088 44.517 1.291 1.0 123.26 ? 119 GLY B N 1 121 . B ATOM 882 C CA . GLY B 1 121 ? -29.203 45.435 1.986 1.0 129.71 ? 119 GLY B CA 1 121 . B ATOM 883 C C . GLY B 1 121 ? -29.044 45.206 3.481 1.0 136.19 ? 119 GLY B C 1 121 . B ATOM 884 O O . GLY B 1 121 ? -27.931 44.988 3.975 1.0 136.96 ? 119 GLY B O 1 121 . B ATOM 885 N N . GLU B 1 122 ? -30.154 45.270 4.210 1.0 139.84 ? 120 GLU B N 1 122 . B ATOM 886 C CA . GLU B 1 122 ? -30.115 45.101 5.661 1.0 143.48 ? 120 GLU B CA 1 122 . B ATOM 887 C C . GLU B 1 122 ? -31.011 43.959 6.124 1.0 142.87 ? 120 GLU B C 1 122 . B ATOM 888 O O . GLU B 1 122 ? -32.238 44.037 6.021 1.0 138.59 ? 120 GLU B O 1 122 . B ATOM 889 C CB . GLU B 1 122 ? -30.498 46.402 6.369 1.0 142.1 ? 120 GLU B CB 1 122 . B ATOM 890 N N . HIS B 1 123 ? -30.385 42.898 6.627 1.0 146.32 ? 121 HIS B N 1 123 . B ATOM 891 C CA . HIS B 1 123 ? -31.115 41.785 7.222 1.0 147.19 ? 121 HIS B CA 1 123 . B ATOM 892 C C . HIS B 1 123 ? -31.585 42.163 8.626 1.0 147.48 ? 121 HIS B C 1 123 . B ATOM 893 O O . HIS B 1 123 ? -31.477 41.373 9.566 1.0 149.12 ? 121 HIS B O 1 123 . B ATOM 894 C CB . HIS B 1 123 ? -30.251 40.531 7.260 1.0 149.52 ? 121 HIS B CB 1 123 . B ATOM 895 N N . ARG B 1 124 ? -32.085 43.390 8.756 1.0 144.62 ? 122 ARG B N 1 124 . B ATOM 896 C CA . ARG B 1 124 ? -32.695 43.869 9.993 1.0 141.0 ? 122 ARG B CA 1 124 . B ATOM 897 C C . ARG B 1 124 ? -34.120 44.354 9.711 1.0 136.59 ? 122 ARG B C 1 124 . B ATOM 898 O O . ARG B 1 124 ? -34.893 44.607 10.638 1.0 135.14 ? 122 ARG B O 1 124 . B ATOM 899 C CB . ARG B 1 124 ? -31.854 44.979 10.622 1.0 140.07 ? 122 ARG B CB 1 124 . B ATOM 900 N N . LEU B 1 125 ? -34.451 44.493 8.424 1.0 131.93 ? 123 LEU B N 1 125 . B ATOM 901 C CA . LEU B 1 125 ? -35.829 44.729 7.986 1.0 122.25 ? 123 LEU B CA 1 125 . B ATOM 902 C C . LEU B 1 125 ? -36.094 43.964 6.691 1.0 117.57 ? 123 LEU B C 1 125 . B ATOM 903 O O . LEU B 1 125 ? -36.400 44.565 5.667 1.0 116.96 ? 123 LEU B O 1 125 . B ATOM 904 C CB . LEU B 1 125 ? -36.121 46.222 7.764 1.0 117.96 ? 123 LEU B CB 1 125 . B ATOM 905 C CG . LEU B 1 125 ? -36.021 47.310 8.848 1.0 118.15 ? 123 LEU B CG 1 125 . B ATOM 906 C CD1 . LEU B 1 125 ? -36.466 48.641 8.243 1.0 114.43 ? 123 LEU B CD1 1 125 . B ATOM 907 C CD2 . LEU B 1 125 ? -36.796 47.017 10.175 1.0 57.17 ? 123 LEU B CD2 1 125 . B ATOM 908 N N . ARG B 1 126 ? -35.976 42.641 6.738 1.0 115.68 ? 124 ARG B N 1 126 . B ATOM 909 C CA . ARG B 1 126 ? -36.161 41.805 5.550 1.0 116.18 ? 124 ARG B CA 1 126 . B ATOM 910 C C . ARG B 1 126 ? -37.601 41.811 5.006 1.0 109.34 ? 124 ARG B C 1 126 . B ATOM 911 O O . ARG B 1 126 ? -38.551 41.470 5.719 1.0 107.27 ? 124 ARG B O 1 126 . B ATOM 912 C CB . ARG B 1 126 ? -35.702 40.368 5.831 1.0 124.69 ? 124 ARG B CB 1 126 . B ATOM 913 C CG . ARG B 1 126 ? -34.205 40.222 6.125 1.0 133.65 ? 124 ARG B CG 1 126 . B ATOM 914 C CD . ARG B 1 126 ? -33.371 40.119 4.844 1.0 140.23 ? 124 ARG B CD 1 126 . B ATOM 915 N NE . ARG B 1 126 ? -32.693 41.372 4.507 1.0 142.88 ? 124 ARG B NE 1 126 . B ATOM 916 C CZ . ARG B 1 126 ? -32.965 42.118 3.437 1.0 142.26 ? 124 ARG B CZ 1 126 . B ATOM 917 N NH1 . ARG B 1 126 ? -33.908 41.745 2.576 1.0 140.64 ? 124 ARG B NH1 1 126 . B ATOM 918 N NH2 . ARG B 1 126 ? -32.288 43.241 3.227 1.0 141.52 ? 124 ARG B NH2 1 126 . B ATOM 919 N N . ASN B 1 127 ? -37.743 42.204 3.737 1.0 102.97 ? 125 ASN B N 1 127 . B ATOM 920 C CA . ASN B 1 127 ? -39.041 42.237 3.049 1.0 89.79 ? 125 ASN B CA 1 127 . B ATOM 921 C C . ASN B 1 127 ? -39.963 43.402 3.405 1.0 76.43 ? 125 ASN B C 1 127 . B ATOM 922 O O . ASN B 1 127 ? -41.179 43.292 3.287 1.0 70.94 ? 125 ASN B O 1 127 . B ATOM 923 C CB . ASN B 1 127 ? -39.778 40.914 3.219 1.0 89.85 ? 125 ASN B CB 1 127 . B ATOM 924 C CG . ASN B 1 127 ? -39.335 39.882 2.218 1.0 94.76 ? 125 ASN B CG 1 127 . B ATOM 925 O OD1 . ASN B 1 127 ? -38.654 40.207 1.238 1.0 99.38 ? 125 ASN B OD1 1 127 . B ATOM 926 N ND2 . ASN B 1 127 ? -39.724 38.629 2.445 1.0 94.26 ? 125 ASN B ND2 1 127 . B ATOM 927 N N . TYR B 1 128 ? -39.376 44.511 3.839 1.0 69.95 ? 126 TYR B N 1 128 . B ATOM 928 C CA . TYR B 1 128 ? -40.113 45.742 4.063 1.0 63.55 ? 126 TYR B CA 1 128 . B ATOM 929 C C . TYR B 1 128 ? -40.852 46.127 2.790 1.0 66.08 ? 126 TYR B C 1 128 . B ATOM 930 O O . TYR B 1 128 ? -40.392 45.832 1.680 1.0 69.2 ? 126 TYR B O 1 128 . B ATOM 931 C CB . TYR B 1 128 ? -39.131 46.834 4.437 1.0 60.89 ? 126 TYR B CB 1 128 . B ATOM 932 C CG . TYR B 1 128 ? -39.728 48.141 4.907 1.0 61.86 ? 126 TYR B CG 1 128 . B ATOM 933 C CD1 . TYR B 1 128 ? -40.101 48.335 6.248 1.0 60.43 ? 126 TYR B CD1 1 128 . B ATOM 934 C CD2 . TYR B 1 128 ? -39.860 49.206 4.030 1.0 62.54 ? 126 TYR B CD2 1 128 . B ATOM 935 C CE1 . TYR B 1 128 ? -40.623 49.556 6.679 1.0 60.02 ? 126 TYR B CE1 1 128 . B ATOM 936 C CE2 . TYR B 1 128 ? -40.373 50.428 4.445 1.0 63.61 ? 126 TYR B CE2 1 128 . B ATOM 937 C CZ . TYR B 1 128 ? -40.752 50.603 5.763 1.0 65.43 ? 126 TYR B CZ 1 128 . B ATOM 938 O OH . TYR B 1 128 ? -41.264 51.834 6.123 1.0 67.27 ? 126 TYR B OH 1 128 . B ATOM 939 N N . LYS B 1 129 ? -42.001 46.774 2.952 1.0 64.47 ? 127 LYS B N 1 129 . B ATOM 940 C CA . LYS B 1 129 ? -42.787 47.244 1.814 1.0 64.12 ? 127 LYS B CA 1 129 . B ATOM 941 C C . LYS B 1 129 ? -43.780 48.292 2.289 1.0 65.78 ? 127 LYS B C 1 129 . B ATOM 942 O O . LYS B 1 129 ? -44.753 47.962 2.959 1.0 71.84 ? 127 LYS B O 1 129 . B ATOM 943 C CB . LYS B 1 129 ? -43.516 46.080 1.133 1.0 59.51 ? 127 LYS B CB 1 129 . B ATOM 944 C CG . LYS B 1 129 ? -44.704 46.501 0.277 1.0 63.52 ? 127 LYS B CG 1 129 . B ATOM 945 C CD . LYS B 1 129 ? -44.619 45.944 -1.162 1.0 71.59 ? 127 LYS B CD 1 129 . B ATOM 946 C CE . LYS B 1 129 ? -45.960 46.018 -1.914 1.0 73.26 ? 127 LYS B CE 1 129 . B ATOM 947 N NZ . LYS B 1 129 ? -46.472 47.403 -2.177 1.0 73.3 ? 127 LYS B NZ 1 129 . B ATOM 948 N N . SER B 1 130 ? -43.537 49.554 1.956 1.0 59.29 ? 128 SER B N 1 130 . B ATOM 949 C CA . SER B 1 130 ? -44.406 50.612 2.439 1.0 61.42 ? 128 SER B CA 1 130 . B ATOM 950 C C . SER B 1 130 ? -45.185 51.289 1.320 1.0 61.43 ? 128 SER B C 1 130 . B ATOM 951 O O . SER B 1 130 ? -44.795 51.242 0.160 1.0 63.19 ? 128 SER B O 1 130 . B ATOM 952 C CB . SER B 1 130 ? -43.600 51.670 3.177 1.0 68.57 ? 128 SER B CB 1 130 . B ATOM 953 O OG . SER B 1 130 ? -43.470 52.823 2.361 1.0 76.71 ? 128 SER B OG 1 130 . B ATOM 954 N N . VAL B 1 131 ? -46.294 51.922 1.684 1.0 59.89 ? 129 VAL B N 1 131 . B ATOM 955 C CA . VAL B 1 131 ? -47.038 52.754 0.757 1.0 56.99 ? 129 VAL B CA 1 131 . B ATOM 956 C C . VAL B 1 131 ? -47.443 54.068 1.397 1.0 60.47 ? 129 VAL B C 1 131 . B ATOM 957 O O . VAL B 1 131 ? -47.870 54.111 2.539 1.0 65.67 ? 129 VAL B O 1 131 . B ATOM 958 C CB . VAL B 1 131 ? -48.292 52.063 0.276 1.0 55.48 ? 129 VAL B CB 1 131 . B ATOM 959 C CG1 . VAL B 1 131 ? -49.206 53.076 -0.376 1.0 55.69 ? 129 VAL B CG1 1 131 . B ATOM 960 C CG2 . VAL B 1 131 ? -47.930 50.965 -0.695 1.0 58.29 ? 129 VAL B CG2 1 131 . B ATOM 961 N N . THR B 1 132 ? -47.322 55.142 0.641 1.0 62.49 ? 130 THR B N 1 132 . B ATOM 962 C CA . THR B 1 132 ? -47.569 56.473 1.154 1.0 64.1 ? 130 THR B CA 1 132 . B ATOM 963 C C . THR B 1 132 ? -48.636 57.149 0.310 1.0 69.07 ? 130 THR B C 1 132 . B ATOM 964 O O . THR B 1 132 ? -48.581 57.091 -0.912 1.0 74.79 ? 130 THR B O 1 132 . B ATOM 965 C CB . THR B 1 132 ? -46.294 57.270 1.059 1.0 62.79 ? 130 THR B CB 1 132 . B ATOM 966 O OG1 . THR B 1 132 ? -45.230 56.505 1.648 1.0 61.54 ? 130 THR B OG1 1 132 . B ATOM 967 C CG2 . THR B 1 132 ? -46.445 58.587 1.770 1.0 63.4 ? 130 THR B CG2 1 132 . B ATOM 968 N N . THR B 1 133 ? -49.622 57.769 0.945 1.0 66.85 ? 131 THR B N 1 133 . B ATOM 969 C CA . THR B 1 133 ? -50.684 58.424 0.196 1.0 64.96 ? 131 THR B CA 1 133 . B ATOM 970 C C . THR B 1 133 ? -50.918 59.819 0.724 1.0 69.32 ? 131 THR B C 1 133 . B ATOM 971 O O . THR B 1 133 ? -50.804 60.051 1.917 1.0 73.33 ? 131 THR B O 1 133 . B ATOM 972 C CB . THR B 1 133 ? -51.998 57.657 0.280 1.0 63.04 ? 131 THR B CB 1 133 . B ATOM 973 O OG1 . THR B 1 133 ? -52.488 57.694 1.619 1.0 58.58 ? 131 THR B OG1 1 133 . B ATOM 974 C CG2 . THR B 1 133 ? -51.805 56.217 -0.143 1.0 66.74 ? 131 THR B CG2 1 133 . B ATOM 975 N N . VAL B 1 134 ? -51.239 60.750 -0.167 1.0 68.68 ? 132 VAL B N 1 134 . B ATOM 976 C CA . VAL B 1 134 ? -51.445 62.140 0.215 1.0 67.24 ? 132 VAL B CA 1 134 . B ATOM 977 C C . VAL B 1 134 ? -52.899 62.504 -0.016 1.0 72.99 ? 132 VAL B C 1 134 . B ATOM 978 O O . VAL B 1 134 ? -53.526 61.965 -0.924 1.0 78.05 ? 132 VAL B O 1 134 . B ATOM 979 C CB . VAL B 1 134 ? -50.563 63.055 -0.616 1.0 64.09 ? 132 VAL B CB 1 134 . B ATOM 980 C CG1 . VAL B 1 134 ? -50.767 64.506 -0.200 1.0 65.49 ? 132 VAL B CG1 1 134 . B ATOM 981 C CG2 . VAL B 1 134 ? -49.101 62.635 -0.471 1.0 61.56 ? 132 VAL B CG2 1 134 . B ATOM 982 N N . HIS B 1 135 ? -53.447 63.404 0.795 1.0 72.1 ? 133 HIS B N 1 135 . B ATOM 983 C CA . HIS B 1 135 ? -54.883 63.654 0.730 1.0 75.73 ? 133 HIS B CA 1 135 . B ATOM 984 C C . HIS B 1 135 ? -55.288 65.112 0.924 1.0 85.31 ? 133 HIS B C 1 135 . B ATOM 985 O O . HIS B 1 135 ? -54.716 65.830 1.741 1.0 85.76 ? 133 HIS B O 1 135 . B ATOM 986 C CB . HIS B 1 135 ? -55.605 62.767 1.735 1.0 72.25 ? 133 HIS B CB 1 135 . B ATOM 987 C CG . HIS B 1 135 ? -55.252 61.318 1.617 1.0 71.65 ? 133 HIS B CG 1 135 . B ATOM 988 N ND1 . HIS B 1 135 ? -56.125 60.377 1.116 1.0 74.2 ? 133 HIS B ND1 1 135 . B ATOM 989 C CD2 . HIS B 1 135 ? -54.116 60.649 1.924 1.0 69.54 ? 133 HIS B CD2 1 135 . B ATOM 990 C CE1 . HIS B 1 135 ? -55.549 59.188 1.138 1.0 71.91 ? 133 HIS B CE1 1 135 . B ATOM 991 N NE2 . HIS B 1 135 ? -54.328 59.326 1.620 1.0 69.1 ? 133 HIS B NE2 1 135 . B ATOM 992 N N . ARG B 1 136 ? -56.292 65.538 0.166 1.0 94.57 ? 134 ARG B N 1 136 . B ATOM 993 C CA . ARG B 1 136 ? -56.732 66.924 0.194 1.0 102.35 ? 134 ARG B CA 1 136 . B ATOM 994 C C . ARG B 1 136 ? -57.931 67.089 1.129 1.0 109.32 ? 134 ARG B C 1 136 . B ATOM 995 O O . ARG B 1 136 ? -58.734 66.167 1.278 1.0 107.86 ? 134 ARG B O 1 136 . B ATOM 996 C CB . ARG B 1 136 ? -57.079 67.386 -1.221 1.0 103.29 ? 134 ARG B CB 1 136 . B ATOM 997 C CG . ARG B 1 136 ? -57.217 68.883 -1.368 1.0 109.15 ? 134 ARG B CG 1 136 . B ATOM 998 C CD . ARG B 1 136 ? -57.363 69.294 -2.830 1.0 114.57 ? 134 ARG B CD 1 136 . B ATOM 999 N NE . ARG B 1 136 ? -57.549 70.737 -2.962 1.0 119.47 ? 134 ARG B NE 1 136 . B ATOM 1000 C CZ . ARG B 1 136 ? -58.688 71.364 -2.678 1.0 122.4 ? 134 ARG B CZ 1 136 . B ATOM 1001 N NH1 . ARG B 1 136 ? -59.738 70.672 -2.245 1.0 121.96 ? 134 ARG B NH1 1 136 . B ATOM 1002 N NH2 . ARG B 1 136 ? -58.778 72.681 -2.821 1.0 124.0 ? 134 ARG B NH2 1 136 . B ATOM 1003 N N . PHE B 1 137 ? -58.043 68.256 1.763 1.0 117.71 ? 135 PHE B N 1 137 . B ATOM 1004 C CA . PHE B 1 137 ? -59.187 68.559 2.636 1.0 125.05 ? 135 PHE B CA 1 137 . B ATOM 1005 C C . PHE B 1 137 ? -59.683 70.020 2.542 1.0 133.36 ? 135 PHE B C 1 137 . B ATOM 1006 O O . PHE B 1 137 ? -58.885 70.956 2.453 1.0 134.6 ? 135 PHE B O 1 137 . B ATOM 1007 C CB . PHE B 1 137 ? -58.893 68.144 4.084 1.0 123.06 ? 135 PHE B CB 1 137 . B ATOM 1008 C CG . PHE B 1 137 ? -58.975 66.658 4.309 1.0 119.69 ? 135 PHE B CG 1 137 . B ATOM 1009 C CD1 . PHE B 1 137 ? -60.205 66.040 4.494 1.0 120.85 ? 135 PHE B CD1 1 137 . B ATOM 1010 C CD2 . PHE B 1 137 ? -57.833 65.876 4.317 1.0 115.87 ? 135 PHE B CD2 1 137 . B ATOM 1011 C CE1 . PHE B 1 137 ? -60.292 64.671 4.689 1.0 118.0 ? 135 PHE B CE1 1 137 . B ATOM 1012 C CE2 . PHE B 1 137 ? -57.915 64.508 4.514 1.0 113.77 ? 135 PHE B CE2 1 137 . B ATOM 1013 C CZ . PHE B 1 137 ? -59.146 63.906 4.700 1.0 114.43 ? 135 PHE B CZ 1 137 . B ATOM 1014 N N . GLU B 1 138 ? -61.006 70.198 2.569 1.0 138.35 ? 136 GLU B N 1 138 . B ATOM 1015 C CA . GLU B 1 138 ? -61.633 71.479 2.216 1.0 143.21 ? 136 GLU B CA 1 138 . B ATOM 1016 C C . GLU B 1 138 ? -61.901 72.438 3.386 1.0 146.17 ? 136 GLU B C 1 138 . B ATOM 1017 O O . GLU B 1 138 ? -62.391 72.034 4.442 1.0 143.63 ? 136 GLU B O 1 138 . B ATOM 1018 C CB . GLU B 1 138 ? -62.920 71.238 1.416 1.0 143.9 ? 136 GLU B CB 1 138 . B ATOM 1019 N N . LYS B 1 139 ? -61.585 73.714 3.164 1.0 150.43 ? 137 LYS B N 1 139 . B ATOM 1020 C CA . LYS B 1 139 ? -61.818 74.777 4.141 1.0 152.56 ? 137 LYS B CA 1 139 . B ATOM 1021 C C . LYS B 1 139 ? -62.934 75.715 3.677 1.0 155.38 ? 137 LYS B C 1 139 . B ATOM 1022 O O . LYS B 1 139 ? -62.725 76.577 2.820 1.0 155.22 ? 137 LYS B O 1 139 . B ATOM 1023 C CB . LYS B 1 139 ? -60.529 75.564 4.393 1.0 151.57 ? 137 LYS B CB 1 139 . B ATOM 1024 N N . ILE B 1 146 ? -57.398 75.276 3.773 1.0 120.51 ? 144 ILE B N 1 146 . B ATOM 1025 C CA . ILE B 1 146 ? -57.084 74.078 2.989 1.0 119.57 ? 144 ILE B CA 1 146 . B ATOM 1026 C C . ILE B 1 146 ? -55.782 73.382 3.424 1.0 117.96 ? 144 ILE B C 1 146 . B ATOM 1027 O O . ILE B 1 146 ? -54.696 73.959 3.318 1.0 116.97 ? 144 ILE B O 1 146 . B ATOM 1028 C CB . ILE B 1 146 ? -57.012 74.395 1.480 1.0 119.11 ? 144 ILE B CB 1 146 . B ATOM 1029 C CG1 . ILE B 1 146 ? -56.496 73.182 0.699 1.0 114.73 ? 144 ILE B CG1 1 146 . B ATOM 1030 C CG2 . ILE B 1 146 ? -56.125 75.604 1.240 1.0 121.04 ? 144 ILE B CG2 1 146 . B ATOM 1031 C CD1 . ILE B 1 146 ? -56.501 73.365 -0.811 1.0 115.29 ? 144 ILE B CD1 1 146 . B ATOM 1032 N N . TRP B 1 147 ? -55.905 72.133 3.889 1.0 116.04 ? 145 TRP B N 1 147 . B ATOM 1033 C CA . TRP B 1 147 ? -54.769 71.371 4.423 1.0 111.86 ? 145 TRP B CA 1 147 . B ATOM 1034 C C . TRP B 1 147 ? -54.604 69.957 3.837 1.0 104.29 ? 145 TRP B C 1 147 . B ATOM 1035 O O . TRP B 1 147 ? -55.406 69.495 3.020 1.0 100.75 ? 145 TRP B O 1 147 . B ATOM 1036 C CB . TRP B 1 147 ? -54.862 71.276 5.950 1.0 114.19 ? 145 TRP B CB 1 147 . B ATOM 1037 C CG . TRP B 1 147 ? -55.969 70.378 6.418 1.0 116.84 ? 145 TRP B CG 1 147 . B ATOM 1038 C CD1 . TRP B 1 147 ? -55.848 69.092 6.858 1.0 115.44 ? 145 TRP B CD1 1 147 . B ATOM 1039 C CD2 . TRP B 1 147 ? -57.369 70.694 6.482 1.0 121.02 ? 145 TRP B CD2 1 147 . B ATOM 1040 N NE1 . TRP B 1 147 ? -57.082 68.588 7.196 1.0 116.33 ? 145 TRP B NE1 1 147 . B ATOM 1041 C CE2 . TRP B 1 147 ? -58.033 69.550 6.975 1.0 119.58 ? 145 TRP B CE2 1 147 . B ATOM 1042 C CE3 . TRP B 1 147 ? -58.125 71.833 6.174 1.0 125.17 ? 145 TRP B CE3 1 147 . B ATOM 1043 C CZ2 . TRP B 1 147 ? -59.418 69.510 7.167 1.0 121.27 ? 145 TRP B CZ2 1 147 . B ATOM 1044 C CZ3 . TRP B 1 147 ? -59.499 71.793 6.364 1.0 127.25 ? 145 TRP B CZ3 1 147 . B ATOM 1045 C CH2 . TRP B 1 147 ? -60.130 70.638 6.858 1.0 125.49 ? 145 TRP B CH2 1 147 . B ATOM 1046 N N . THR B 1 148 ? -53.557 69.273 4.291 1.0 99.75 ? 146 THR B N 1 148 . B ATOM 1047 C CA . THR B 1 148 ? -53.180 67.970 3.764 1.0 92.84 ? 146 THR B CA 1 148 . B ATOM 1048 C C . THR B 1 148 ? -52.957 66.944 4.871 1.0 88.58 ? 146 THR B C 1 148 . B ATOM 1049 O O . THR B 1 148 ? -52.460 67.276 5.948 1.0 89.35 ? 146 THR B O 1 148 . B ATOM 1050 C CB . THR B 1 148 ? -51.878 68.078 2.974 1.0 92.4 ? 146 THR B CB 1 148 . B ATOM 1051 O OG1 . THR B 1 148 ? -52.026 69.077 1.963 1.0 98.27 ? 146 THR B OG1 1 148 . B ATOM 1052 C CG2 . THR B 1 148 ? -51.530 66.758 2.327 1.0 89.46 ? 146 THR B CG2 1 148 . B ATOM 1053 N N . VAL B 1 149 ? -53.328 65.697 4.594 1.0 81.98 ? 147 VAL B N 1 149 . B ATOM 1054 C CA . VAL B 1 149 ? -52.996 64.577 5.461 1.0 75.92 ? 147 VAL B CA 1 149 . B ATOM 1055 C C . VAL B 1 149 ? -52.186 63.548 4.687 1.0 74.59 ? 147 VAL B C 1 149 . B ATOM 1056 O O . VAL B 1 149 ? -52.636 63.045 3.671 1.0 77.76 ? 147 VAL B O 1 149 . B ATOM 1057 C CB . VAL B 1 149 ? -54.250 63.884 5.977 1.0 72.6 ? 147 VAL B CB 1 149 . B ATOM 1058 C CG1 . VAL B 1 149 ? -53.883 62.604 6.672 1.0 66.86 ? 147 VAL B CG1 1 149 . B ATOM 1059 C CG2 . VAL B 1 149 ? -54.995 64.788 6.919 1.0 76.75 ? 147 VAL B CG2 1 149 . B ATOM 1060 N N . VAL B 1 150 ? -50.982 63.249 5.153 1.0 71.29 ? 148 VAL B N 1 150 . B ATOM 1061 C CA . VAL B 1 150 ? -50.203 62.169 4.574 1.0 67.16 ? 148 VAL B CA 1 150 . B ATOM 1062 C C . VAL B 1 150 ? -50.505 60.916 5.382 1.0 70.0 ? 148 VAL B C 1 150 . B ATOM 1063 O O . VAL B 1 150 ? -50.633 60.988 6.597 1.0 75.55 ? 148 VAL B O 1 150 . B ATOM 1064 C CB . VAL B 1 150 ? -48.694 62.434 4.687 1.0 63.71 ? 148 VAL B CB 1 150 . B ATOM 1065 C CG1 . VAL B 1 150 ? -47.917 61.209 4.264 1.0 60.97 ? 148 VAL B CG1 1 150 . B ATOM 1066 C CG2 . VAL B 1 150 ? -48.291 63.629 3.864 1.0 63.74 ? 148 VAL B CG2 1 150 . B ATOM 1067 N N . LEU B 1 151 ? -50.624 59.776 4.708 1.0 66.53 ? 149 LEU B N 1 151 . B ATOM 1068 C CA . LEU B 1 151 ? -50.756 58.474 5.353 1.0 60.17 ? 149 LEU B CA 1 151 . B ATOM 1069 C C . LEU B 1 151 ? -49.587 57.610 4.907 1.0 65.07 ? 149 LEU B C 1 151 . B ATOM 1070 O O . LEU B 1 151 ? -49.362 57.444 3.714 1.0 71.28 ? 149 LEU B O 1 151 . B ATOM 1071 C CB . LEU B 1 151 ? -52.049 57.807 4.905 1.0 54.64 ? 149 LEU B CB 1 151 . B ATOM 1072 C CG . LEU B 1 151 ? -53.202 57.737 5.895 1.0 59.0 ? 149 LEU B CG 1 151 . B ATOM 1073 C CD1 . LEU B 1 151 ? -53.251 58.998 6.686 1.0 64.29 ? 149 LEU B CD1 1 151 . B ATOM 1074 C CD2 . LEU B 1 151 ? -54.526 57.509 5.203 1.0 56.41 ? 149 LEU B CD2 1 151 . B ATOM 1075 N N . GLU B 1 152 ? -48.817 57.073 5.841 1.0 64.77 ? 150 GLU B N 1 152 . B ATOM 1076 C CA . GLU B 1 152 ? -47.832 56.060 5.472 1.0 65.97 ? 150 GLU B CA 1 152 . B ATOM 1077 C C . GLU B 1 152 ? -48.043 54.772 6.249 1.0 65.01 ? 150 GLU B C 1 152 . B ATOM 1078 O O . GLU B 1 152 ? -48.346 54.794 7.434 1.0 69.51 ? 150 GLU B O 1 152 . B ATOM 1079 C CB . GLU B 1 152 ? -46.398 56.543 5.654 1.0 69.78 ? 150 GLU B CB 1 152 . B ATOM 1080 C CG . GLU B 1 152 ? -45.376 55.445 5.337 1.0 82.64 ? 150 GLU B CG 1 152 . B ATOM 1081 C CD . GLU B 1 152 ? -43.959 55.977 5.060 1.0 99.5 ? 150 GLU B CD 1 152 . B ATOM 1082 O OE1 . GLU B 1 152 ? -43.808 57.198 4.791 1.0 105.89 ? 150 GLU B OE1 1 152 . B ATOM 1083 O OE2 . GLU B 1 152 ? -42.995 55.163 5.093 1.0 102.9 ? 150 GLU B OE2 1 152 . B ATOM 1084 N N . SER B 1 153 ? -47.894 53.645 5.577 1.0 58.54 ? 151 SER B N 1 153 . B ATOM 1085 C CA . SER B 1 153 ? -47.946 52.379 6.267 1.0 54.61 ? 151 SER B CA 1 153 . B ATOM 1086 C C . SER B 1 153 ? -46.872 51.444 5.739 1.0 58.08 ? 151 SER B C 1 153 . B ATOM 1087 O O . SER B 1 153 ? -46.101 51.800 4.842 1.0 64.2 ? 151 SER B O 1 153 . B ATOM 1088 C CB . SER B 1 153 ? -49.324 51.763 6.115 1.0 53.14 ? 151 SER B CB 1 153 . B ATOM 1089 O OG . SER B 1 153 ? -49.580 51.433 4.771 1.0 56.08 ? 151 SER B OG 1 153 . B ATOM 1090 N N . TYR B 1 154 ? -46.814 50.250 6.301 1.0 56.69 ? 152 TYR B N 1 154 . B ATOM 1091 C CA . TYR B 1 154 ? -45.815 49.287 5.890 1.0 60.89 ? 152 TYR B CA 1 154 . B ATOM 1092 C C . TYR B 1 154 ? -46.135 47.922 6.463 1.0 65.64 ? 152 TYR B C 1 154 . B ATOM 1093 O O . TYR B 1 154 ? -46.987 47.775 7.329 1.0 72.98 ? 152 TYR B O 1 154 . B ATOM 1094 C CB . TYR B 1 154 ? -44.443 49.707 6.385 1.0 63.87 ? 152 TYR B CB 1 154 . B ATOM 1095 C CG . TYR B 1 154 ? -44.356 49.676 7.885 1.0 70.5 ? 152 TYR B CG 1 154 . B ATOM 1096 C CD1 . TYR B 1 154 ? -44.669 50.799 8.634 1.0 74.92 ? 152 TYR B CD1 1 154 . B ATOM 1097 C CD2 . TYR B 1 154 ? -43.985 48.521 8.561 1.0 72.69 ? 152 TYR B CD2 1 154 . B ATOM 1098 C CE1 . TYR B 1 154 ? -44.598 50.784 10.019 1.0 75.75 ? 152 TYR B CE1 1 154 . B ATOM 1099 C CE2 . TYR B 1 154 ? -43.913 48.495 9.946 1.0 74.72 ? 152 TYR B CE2 1 154 . B ATOM 1100 C CZ . TYR B 1 154 ? -44.223 49.634 10.666 1.0 75.71 ? 152 TYR B CZ 1 154 . B ATOM 1101 O OH . TYR B 1 154 ? -44.170 49.636 12.036 1.0 78.59 ? 152 TYR B OH 1 154 . B ATOM 1102 N N . VAL B 1 155 ? -45.434 46.920 5.962 1.0 63.08 ? 153 VAL B N 1 155 . B ATOM 1103 C CA . VAL B 1 155 ? -45.524 45.574 6.480 1.0 59.27 ? 153 VAL B CA 1 155 . B ATOM 1104 C C . VAL B 1 155 ? -44.134 45.026 6.294 1.0 62.04 ? 153 VAL B C 1 155 . B ATOM 1105 O O . VAL B 1 155 ? -43.512 45.257 5.259 1.0 65.11 ? 153 VAL B O 1 155 . B ATOM 1106 C CB . VAL B 1 155 ? -46.524 44.716 5.679 1.0 55.13 ? 153 VAL B CB 1 155 . B ATOM 1107 C CG1 . VAL B 1 155 ? -46.277 44.858 4.208 1.0 45.38 ? 153 VAL B CG1 1 155 . B ATOM 1108 C CG2 . VAL B 1 155 ? -46.397 43.266 6.070 1.0 54.89 ? 153 VAL B CG2 1 155 . B ATOM 1109 N N . VAL B 1 156 ? -43.639 44.321 7.297 1.0 63.81 ? 154 VAL B N 1 156 . B ATOM 1110 C CA . VAL B 1 156 ? -42.317 43.734 7.217 1.0 67.93 ? 154 VAL B CA 1 156 . B ATOM 1111 C C . VAL B 1 156 ? -42.267 42.383 7.924 1.0 76.03 ? 154 VAL B C 1 156 . B ATOM 1112 O O . VAL B 1 156 ? -43.028 42.133 8.861 1.0 75.64 ? 154 VAL B O 1 156 . B ATOM 1113 C CB . VAL B 1 156 ? -41.268 44.654 7.840 1.0 64.45 ? 154 VAL B CB 1 156 . B ATOM 1114 C CG1 . VAL B 1 156 ? -41.536 44.816 9.332 1.0 60.32 ? 154 VAL B CG1 1 156 . B ATOM 1115 C CG2 . VAL B 1 156 ? -39.882 44.098 7.591 1.0 67.32 ? 154 VAL B CG2 1 156 . B ATOM 1116 N N . ASP B 1 157 ? -41.380 41.509 7.455 1.0 83.85 ? 155 ASP B N 1 157 . B ATOM 1117 C CA . ASP B 1 157 ? -41.118 40.251 8.132 1.0 91.49 ? 155 ASP B CA 1 157 . B ATOM 1118 C C . ASP B 1 157 ? -40.564 40.574 9.512 1.0 92.92 ? 155 ASP B C 1 157 . B ATOM 1119 O O . ASP B 1 157 ? -40.064 41.671 9.742 1.0 91.68 ? 155 ASP B O 1 157 . B ATOM 1120 C CB . ASP B 1 157 ? -40.121 39.404 7.335 1.0 98.81 ? 155 ASP B CB 1 157 . B ATOM 1121 C CG . ASP B 1 157 ? -40.805 38.407 6.412 1.0 105.42 ? 155 ASP B CG 1 157 . B ATOM 1122 O OD1 . ASP B 1 157 ? -40.948 38.703 5.207 1.0 105.67 ? 155 ASP B OD1 1 157 . B ATOM 1123 O OD2 . ASP B 1 157 ? -41.203 37.320 6.893 1.0 110.29 ? 155 ASP B OD2 1 157 . B ATOM 1124 N N . VAL B 1 158 ? -40.663 39.640 10.443 1.0 95.81 ? 156 VAL B N 1 158 . B ATOM 1125 C CA . VAL B 1 158 ? -40.111 39.900 11.756 1.0 99.71 ? 156 VAL B CA 1 158 . B ATOM 1126 C C . VAL B 1 158 ? -38.801 39.151 11.926 1.0 106.69 ? 156 VAL B C 1 158 . B ATOM 1127 O O . VAL B 1 158 ? -38.767 37.919 11.888 1.0 106.63 ? 156 VAL B O 1 158 . B ATOM 1128 C CB . VAL B 1 158 ? -41.098 39.554 12.879 1.0 99.9 ? 156 VAL B CB 1 158 . B ATOM 1129 C CG1 . VAL B 1 158 ? -40.572 40.046 14.204 1.0 97.75 ? 156 VAL B CG1 1 158 . B ATOM 1130 C CG2 . VAL B 1 158 ? -42.441 40.190 12.595 1.0 100.03 ? 156 VAL B CG2 1 158 . B ATOM 1131 N N . PRO B 1 159 ? -37.708 39.909 12.089 1.0 113.78 ? 157 PRO B N 1 159 . B ATOM 1132 C CA . PRO B 1 159 ? -36.368 39.381 12.352 1.0 121.86 ? 157 PRO B CA 1 159 . B ATOM 1133 C C . PRO B 1 159 ? -36.444 38.265 13.383 1.0 131.44 ? 157 PRO B C 1 159 . B ATOM 1134 O O . PRO B 1 159 ? -36.845 38.525 14.520 1.0 132.83 ? 157 PRO B O 1 159 . B ATOM 1135 C CB . PRO B 1 159 ? -35.640 40.583 12.947 1.0 118.73 ? 157 PRO B CB 1 159 . B ATOM 1136 C CG . PRO B 1 159 ? -36.302 41.757 12.335 1.0 114.52 ? 157 PRO B CG 1 159 . B ATOM 1137 C CD . PRO B 1 159 ? -37.739 41.381 12.109 1.0 112.05 ? 157 PRO B CD 1 159 . B ATOM 1138 N N . GLU B 1 160 ? -36.061 37.052 12.992 1.0 138.05 ? 158 GLU B N 1 160 . B ATOM 1139 C CA . GLU B 1 160 ? -36.242 35.862 13.831 1.0 142.5 ? 158 GLU B CA 1 160 . B ATOM 1140 C C . GLU B 1 160 ? -35.911 36.067 15.319 1.0 140.88 ? 158 GLU B C 1 160 . B ATOM 1141 O O . GLU B 1 160 ? -36.456 35.376 16.182 1.0 141.18 ? 158 GLU B O 1 160 . B ATOM 1142 C CB . GLU B 1 160 ? -35.462 34.670 13.256 1.0 147.8 ? 158 GLU B CB 1 160 . B ATOM 1143 C CG . GLU B 1 160 ? -35.720 34.402 11.766 1.0 148.76 ? 158 GLU B CG 1 160 . B ATOM 1144 C CD . GLU B 1 160 ? -37.191 34.154 11.440 1.0 147.45 ? 158 GLU B CD 1 160 . B ATOM 1145 O OE1 . GLU B 1 160 ? -37.605 32.973 11.399 1.0 149.76 ? 158 GLU B OE1 1 160 . B ATOM 1146 O OE2 . GLU B 1 160 ? -37.931 35.140 11.216 1.0 143.13 ? 158 GLU B OE2 1 160 . B ATOM 1147 N N . GLY B 1 161 ? -35.035 37.024 15.613 1.0 138.2 ? 159 GLY B N 1 161 . B ATOM 1148 C CA . GLY B 1 161 ? -34.645 37.302 16.983 1.0 139.22 ? 159 GLY B CA 1 161 . B ATOM 1149 C C . GLY B 1 161 ? -35.587 38.203 17.766 1.0 136.41 ? 159 GLY B C 1 161 . B ATOM 1150 O O . GLY B 1 161 ? -35.915 37.918 18.916 1.0 134.89 ? 159 GLY B O 1 161 . B ATOM 1151 N N . ASN B 1 162 ? -36.027 39.293 17.145 1.0 134.55 ? 160 ASN B N 1 162 . B ATOM 1152 C CA . ASN B 1 162 ? -36.795 40.317 17.847 1.0 130.15 ? 160 ASN B CA 1 162 . B ATOM 1153 C C . ASN B 1 162 ? -38.251 39.945 18.085 1.0 119.65 ? 160 ASN B C 1 162 . B ATOM 1154 O O . ASN B 1 162 ? -38.704 38.851 17.736 1.0 115.01 ? 160 ASN B O 1 162 . B ATOM 1155 C CB . ASN B 1 162 ? -36.752 41.644 17.081 1.0 133.25 ? 160 ASN B CB 1 162 . B ATOM 1156 C CG . ASN B 1 162 ? -35.425 41.881 16.388 1.0 139.62 ? 160 ASN B CG 1 162 . B ATOM 1157 O OD1 . ASN B 1 162 ? -34.372 41.428 16.849 1.0 144.61 ? 160 ASN B OD1 1 162 . B ATOM 1158 N ND2 . ASN B 1 162 ? -35.468 42.604 15.272 1.0 138.4 ? 160 ASN B ND2 1 162 . B ATOM 1159 N N . SER B 1 163 ? -38.979 40.889 18.669 1.0 115.2 ? 161 SER B N 1 163 . B ATOM 1160 C CA . SER B 1 163 ? -40.405 40.738 18.908 1.0 111.98 ? 161 SER B CA 1 163 . B ATOM 1161 C C . SER B 1 163 ? -41.226 41.645 17.992 1.0 106.15 ? 161 SER B C 1 163 . B ATOM 1162 O O . SER B 1 163 ? -40.701 42.561 17.361 1.0 103.9 ? 161 SER B O 1 163 . B ATOM 1163 C CB . SER B 1 163 ? -40.729 41.077 20.358 1.0 112.06 ? 161 SER B CB 1 163 . B ATOM 1164 O OG . SER B 1 163 ? -40.656 42.474 20.558 1.0 110.52 ? 161 SER B OG 1 163 . B ATOM 1165 N N . GLU B 1 164 ? -42.524 41.385 17.932 1.0 102.54 ? 162 GLU B N 1 164 . B ATOM 1166 C CA . GLU B 1 164 ? -43.413 42.190 17.123 1.0 95.71 ? 162 GLU B CA 1 164 . B ATOM 1167 C C . GLU B 1 164 ? -43.345 43.623 17.616 1.0 93.3 ? 162 GLU B C 1 164 . B ATOM 1168 O O . GLU B 1 164 ? -43.206 44.546 16.826 1.0 88.99 ? 162 GLU B O 1 164 . B ATOM 1169 C CB . GLU B 1 164 ? -44.841 41.653 17.217 1.0 95.72 ? 162 GLU B CB 1 164 . B ATOM 1170 C CG . GLU B 1 164 ? -45.685 41.837 15.964 1.0 97.8 ? 162 GLU B CG 1 164 . B ATOM 1171 C CD . GLU B 1 164 ? -46.697 40.695 15.750 1.0 103.9 ? 162 GLU B CD 1 164 . B ATOM 1172 O OE1 . GLU B 1 164 ? -47.726 40.650 16.475 1.0 105.57 ? 162 GLU B OE1 1 164 . B ATOM 1173 O OE2 . GLU B 1 164 ? -46.462 39.840 14.854 1.0 103.66 ? 162 GLU B OE2 1 164 . B ATOM 1174 N N . GLU B 1 165 ? -43.416 43.808 18.931 1.0 95.88 ? 163 GLU B N 1 165 . B ATOM 1175 C CA . GLU B 1 165 ? -43.494 45.153 19.488 1.0 97.37 ? 163 GLU B CA 1 165 . B ATOM 1176 C C . GLU B 1 165 ? -42.242 45.965 19.186 1.0 91.03 ? 163 GLU B C 1 165 . B ATOM 1177 O O . GLU B 1 165 ? -42.324 47.163 18.934 1.0 86.53 ? 163 GLU B O 1 165 . B ATOM 1178 C CB . GLU B 1 165 ? -43.774 45.132 20.997 1.0 109.81 ? 163 GLU B CB 1 165 . B ATOM 1179 C CG . GLU B 1 165 ? -42.587 44.717 21.871 1.0 124.98 ? 163 GLU B CG 1 165 . B ATOM 1180 C CD . GLU B 1 165 ? -42.610 45.345 23.268 1.0 134.8 ? 163 GLU B CD 1 165 . B ATOM 1181 O OE1 . GLU B 1 165 ? -42.385 44.615 24.257 1.0 139.78 ? 163 GLU B OE1 1 165 . B ATOM 1182 O OE2 . GLU B 1 165 ? -42.851 46.566 23.379 1.0 136.62 ? 163 GLU B OE2 1 165 . B ATOM 1183 N N . ASP B 1 166 ? -41.090 45.300 19.206 1.0 92.48 ? 164 ASP B N 1 166 . B ATOM 1184 C CA . ASP B 1 166 ? -39.793 45.957 19.024 1.0 95.73 ? 164 ASP B CA 1 166 . B ATOM 1185 C C . ASP B 1 166 ? -39.691 46.570 17.640 1.0 94.47 ? 164 ASP B C 1 166 . B ATOM 1186 O O . ASP B 1 166 ? -39.425 47.764 17.476 1.0 94.64 ? 164 ASP B O 1 166 . B ATOM 1187 C CB . ASP B 1 166 ? -38.645 44.951 19.198 1.0 103.5 ? 164 ASP B CB 1 166 . B ATOM 1188 C CG . ASP B 1 166 ? -38.294 44.674 20.670 1.0 110.69 ? 164 ASP B CG 1 166 . B ATOM 1189 O OD1 . ASP B 1 166 ? -38.964 45.200 21.593 1.0 110.11 ? 164 ASP B OD1 1 166 . B ATOM 1190 O OD2 . ASP B 1 166 ? -37.323 43.917 20.902 1.0 115.28 ? 164 ASP B OD2 1 166 . B ATOM 1191 N N . THR B 1 167 ? -39.894 45.718 16.644 1.0 91.56 ? 165 THR B N 1 167 . B ATOM 1192 C CA . THR B 1 167 ? -39.894 46.114 15.250 1.0 84.11 ? 165 THR B CA 1 167 . B ATOM 1193 C C . THR B 1 167 ? -40.900 47.224 14.983 1.0 78.62 ? 165 THR B C 1 167 . B ATOM 1194 O O . THR B 1 167 ? -40.546 48.275 14.448 1.0 78.73 ? 165 THR B O 1 167 . B ATOM 1195 C CB . THR B 1 167 ? -40.225 44.910 14.364 1.0 82.22 ? 165 THR B CB 1 167 . B ATOM 1196 O OG1 . THR B 1 167 ? -39.236 43.894 14.563 1.0 88.02 ? 165 THR B OG1 1 167 . B ATOM 1197 C CG2 . THR B 1 167 ? -40.244 45.307 12.914 1.0 75.73 ? 165 THR B CG2 1 167 . B ATOM 1198 N N . ARG B 1 168 ? -42.154 46.985 15.355 1.0 74.02 ? 166 ARG B N 1 168 . B ATOM 1199 C CA . ARG B 1 168 ? -43.223 47.953 15.136 1.0 71.79 ? 166 ARG B CA 1 168 . B ATOM 1200 C C . ARG B 1 168 ? -42.798 49.304 15.698 1.0 77.07 ? 166 ARG B C 1 168 . B ATOM 1201 O O . ARG B 1 168 ? -42.958 50.341 15.060 1.0 78.78 ? 166 ARG B O 1 168 . B ATOM 1202 C CB . ARG B 1 168 ? -44.494 47.472 15.826 1.0 70.3 ? 166 ARG B CB 1 168 . B ATOM 1203 C CG . ARG B 1 168 ? -45.768 47.643 15.051 1.0 71.49 ? 166 ARG B CG 1 168 . B ATOM 1204 C CD . ARG B 1 168 ? -46.622 48.780 15.593 1.0 81.05 ? 166 ARG B CD 1 168 . B ATOM 1205 N NE . ARG B 1 168 ? -48.059 48.478 15.498 1.0 90.27 ? 166 ARG B NE 1 168 . B ATOM 1206 C CZ . ARG B 1 168 ? -49.032 49.393 15.414 1.0 95.93 ? 166 ARG B CZ 1 168 . B ATOM 1207 N NH1 . ARG B 1 168 ? -48.750 50.694 15.403 1.0 96.03 ? 166 ARG B NH1 1 168 . B ATOM 1208 N NH2 . ARG B 1 168 ? -50.301 49.008 15.333 1.0 98.19 ? 166 ARG B NH2 1 168 . B ATOM 1209 N N . LEU B 1 169 ? -42.222 49.271 16.893 1.0 79.33 ? 167 LEU B N 1 169 . B ATOM 1210 C CA . LEU B 1 169 ? -41.851 50.476 17.617 1.0 81.19 ? 167 LEU B CA 1 169 . B ATOM 1211 C C . LEU B 1 169 ? -40.680 51.199 16.955 1.0 82.37 ? 167 LEU B C 1 169 . B ATOM 1212 O O . LEU B 1 169 ? -40.580 52.426 16.984 1.0 82.67 ? 167 LEU B O 1 169 . B ATOM 1213 C CB . LEU B 1 169 ? -41.496 50.109 19.056 1.0 83.03 ? 167 LEU B CB 1 169 . B ATOM 1214 C CG . LEU B 1 169 ? -41.334 51.256 20.045 1.0 83.56 ? 167 LEU B CG 1 169 . B ATOM 1215 C CD1 . LEU B 1 169 ? -42.454 52.278 19.882 1.0 80.22 ? 167 LEU B CD1 1 169 . B ATOM 1216 C CD2 . LEU B 1 169 ? -41.318 50.688 21.447 1.0 86.55 ? 167 LEU B CD2 1 169 . B ATOM 1217 N N . PHE B 1 170 ? -39.784 50.425 16.367 1.0 80.75 ? 168 PHE B N 1 170 . B ATOM 1218 C CA . PHE B 1 170 ? -38.672 51.000 15.643 1.0 76.89 ? 168 PHE B CA 1 170 . B ATOM 1219 C C . PHE B 1 170 ? -39.156 51.692 14.377 1.0 71.49 ? 168 PHE B C 1 170 . B ATOM 1220 O O . PHE B 1 170 ? -38.939 52.887 14.175 1.0 70.47 ? 168 PHE B O 1 170 . B ATOM 1221 C CB . PHE B 1 170 ? -37.691 49.905 15.277 1.0 80.43 ? 168 PHE B CB 1 170 . B ATOM 1222 C CG . PHE B 1 170 ? -36.552 50.388 14.454 1.0 85.48 ? 168 PHE B CG 1 170 . B ATOM 1223 C CD1 . PHE B 1 170 ? -35.724 51.393 14.926 1.0 88.87 ? 168 PHE B CD1 1 170 . B ATOM 1224 C CD2 . PHE B 1 170 ? -36.302 49.845 13.208 1.0 85.27 ? 168 PHE B CD2 1 170 . B ATOM 1225 C CE1 . PHE B 1 170 ? -34.670 51.844 14.169 1.0 89.6 ? 168 PHE B CE1 1 170 . B ATOM 1226 C CE2 . PHE B 1 170 ? -35.248 50.289 12.448 1.0 86.46 ? 168 PHE B CE2 1 170 . B ATOM 1227 C CZ . PHE B 1 170 ? -34.433 51.288 12.925 1.0 89.31 ? 168 PHE B CZ 1 170 . B ATOM 1228 N N . ALA B 1 171 ? -39.817 50.927 13.520 1.0 67.85 ? 169 ALA B N 1 171 . B ATOM 1229 C CA . ALA B 1 171 ? -40.340 51.468 12.279 1.0 61.96 ? 169 ALA B CA 1 171 . B ATOM 1230 C C . ALA B 1 171 ? -41.234 52.671 12.549 1.0 62.89 ? 169 ALA B C 1 171 . B ATOM 1231 O O . ALA B 1 171 ? -41.053 53.720 11.931 1.0 63.42 ? 169 ALA B O 1 171 . B ATOM 1232 C CB . ALA B 1 171 ? -41.091 50.399 11.509 1.0 56.71 ? 169 ALA B CB 1 171 . B ATOM 1233 N N . ASP B 1 172 ? -42.187 52.530 13.472 1.0 63.28 ? 170 ASP B N 1 172 . B ATOM 1234 C CA . ASP B 1 172 ? -43.101 53.633 13.777 1.0 67.16 ? 170 ASP B CA 1 172 . B ATOM 1235 C C . ASP B 1 172 ? -42.343 54.910 14.119 1.0 71.19 ? 170 ASP B C 1 172 . B ATOM 1236 O O . ASP B 1 172 ? -42.732 56.015 13.748 1.0 73.36 ? 170 ASP B O 1 172 . B ATOM 1237 C CB . ASP B 1 172 ? -44.030 53.282 14.932 1.0 72.3 ? 170 ASP B CB 1 172 . B ATOM 1238 C CG . ASP B 1 172 ? -45.130 52.334 14.524 1.0 80.69 ? 170 ASP B CG 1 172 . B ATOM 1239 O OD1 . ASP B 1 172 ? -45.097 51.868 13.369 1.0 83.75 ? 170 ASP B OD1 1 172 . B ATOM 1240 O OD2 . ASP B 1 172 ? -46.023 52.048 15.353 1.0 84.42 ? 170 ASP B OD2 1 172 . B ATOM 1241 N N . THR B 1 173 ? -41.242 54.756 14.827 1.0 71.84 ? 171 THR B N 1 173 . B ATOM 1242 C CA . THR B 1 173 ? -40.521 55.915 15.291 1.0 72.55 ? 171 THR B CA 1 173 . B ATOM 1243 C C . THR B 1 173 ? -39.807 56.603 14.144 1.0 76.04 ? 171 THR B C 1 173 . B ATOM 1244 O O . THR B 1 173 ? -39.876 57.820 13.999 1.0 80.81 ? 171 THR B O 1 173 . B ATOM 1245 C CB . THR B 1 173 ? -39.540 55.537 16.393 1.0 69.79 ? 171 THR B CB 1 173 . B ATOM 1246 O OG1 . THR B 1 173 ? -40.268 54.927 17.465 1.0 64.96 ? 171 THR B OG1 1 173 . B ATOM 1247 C CG2 . THR B 1 173 ? -38.829 56.770 16.894 1.0 68.77 ? 171 THR B CG2 1 173 . B ATOM 1248 N N . VAL B 1 174 ? -39.124 55.827 13.318 1.0 75.24 ? 172 VAL B N 1 174 . B ATOM 1249 C CA . VAL B 1 174 ? -38.444 56.414 12.175 1.0 75.94 ? 172 VAL B CA 1 174 . B ATOM 1250 C C . VAL B 1 174 ? -39.450 57.092 11.253 1.0 75.52 ? 172 VAL B C 1 174 . B ATOM 1251 O O . VAL B 1 174 ? -39.245 58.221 10.828 1.0 78.35 ? 172 VAL B O 1 174 . B ATOM 1252 C CB . VAL B 1 174 ? -37.651 55.363 11.385 1.0 75.99 ? 172 VAL B CB 1 174 . B ATOM 1253 C CG1 . VAL B 1 174 ? -37.092 55.966 10.113 1.0 75.26 ? 172 VAL B CG1 1 174 . B ATOM 1254 C CG2 . VAL B 1 174 ? -36.542 54.791 12.244 1.0 77.09 ? 172 VAL B CG2 1 174 . B ATOM 1255 N N . ILE B 1 175 ? -40.546 56.407 10.951 1.0 72.31 ? 173 ILE B N 1 175 . B ATOM 1256 C CA . ILE B 1 175 ? -41.523 56.960 10.026 1.0 71.59 ? 173 ILE B CA 1 175 . B ATOM 1257 C C . ILE B 1 175 ? -42.216 58.188 10.595 1.0 72.88 ? 173 ILE B C 1 175 . B ATOM 1258 O O . ILE B 1 175 ? -42.543 59.122 9.849 1.0 70.52 ? 173 ILE B O 1 175 . B ATOM 1259 C CB . ILE B 1 175 ? -42.557 55.906 9.581 1.0 68.36 ? 173 ILE B CB 1 175 . B ATOM 1260 C CG1 . ILE B 1 175 ? -41.886 54.913 8.632 1.0 70.05 ? 173 ILE B CG1 1 175 . B ATOM 1261 C CG2 . ILE B 1 175 ? -43.756 56.562 8.892 1.0 59.03 ? 173 ILE B CG2 1 175 . B ATOM 1262 C CD1 . ILE B 1 175 ? -42.240 53.481 8.897 1.0 70.78 ? 173 ILE B CD1 1 175 . B ATOM 1263 N N . ARG B 1 176 ? -42.424 58.191 11.913 1.0 73.26 ? 174 ARG B N 1 176 . B ATOM 1264 C CA . ARG B 1 176 ? -43.080 59.314 12.576 1.0 73.91 ? 174 ARG B CA 1 176 . B ATOM 1265 C C . ARG B 1 176 ? -42.217 60.574 12.542 1.0 76.83 ? 174 ARG B C 1 176 . B ATOM 1266 O O . ARG B 1 176 ? -42.730 61.697 12.554 1.0 79.44 ? 174 ARG B O 1 176 . B ATOM 1267 C CB . ARG B 1 176 ? -43.442 58.963 14.012 1.0 77.92 ? 174 ARG B CB 1 176 . B ATOM 1268 C CG . ARG B 1 176 ? -43.809 60.171 14.870 1.0 85.59 ? 174 ARG B CG 1 176 . B ATOM 1269 C CD . ARG B 1 176 ? -45.037 60.880 14.340 1.0 91.77 ? 174 ARG B CD 1 176 . B ATOM 1270 N NE . ARG B 1 176 ? -46.206 60.006 14.327 1.0 97.24 ? 174 ARG B NE 1 176 . B ATOM 1271 C CZ . ARG B 1 176 ? -47.404 60.377 13.887 1.0 102.16 ? 174 ARG B CZ 1 176 . B ATOM 1272 N NH1 . ARG B 1 176 ? -47.584 61.607 13.420 1.0 103.65 ? 174 ARG B NH1 1 176 . B ATOM 1273 N NH2 . ARG B 1 176 ? -48.420 59.521 13.911 1.0 103.96 ? 174 ARG B NH2 1 176 . B ATOM 1274 N N . LEU B 1 177 ? -40.904 60.394 12.497 1.0 76.59 ? 175 LEU B N 1 177 . B ATOM 1275 C CA . LEU B 1 177 ? -40.009 61.538 12.435 1.0 79.84 ? 175 LEU B CA 1 177 . B ATOM 1276 C C . LEU B 1 177 ? -39.974 62.054 11.013 1.0 81.33 ? 175 LEU B C 1 177 . B ATOM 1277 O O . LEU B 1 177 ? -40.063 63.255 10.757 1.0 83.63 ? 175 LEU B O 1 177 . B ATOM 1278 C CB . LEU B 1 177 ? -38.605 61.141 12.877 1.0 81.48 ? 175 LEU B CB 1 177 . B ATOM 1279 C CG . LEU B 1 177 ? -38.443 60.971 14.385 1.0 85.11 ? 175 LEU B CG 1 177 . B ATOM 1280 C CD1 . LEU B 1 177 ? -37.080 60.372 14.708 1.0 90.09 ? 175 LEU B CD1 1 177 . B ATOM 1281 C CD2 . LEU B 1 177 ? -38.666 62.304 15.119 1.0 84.02 ? 175 LEU B CD2 1 177 . B ATOM 1282 N N . ASN B 1 178 ? -39.842 61.117 10.088 1.0 78.55 ? 176 ASN B N 1 178 . B ATOM 1283 C CA . ASN B 1 178 ? -39.808 61.442 8.692 1.0 73.51 ? 176 ASN B CA 1 178 . B ATOM 1284 C C . ASN B 1 178 ? -41.034 62.272 8.338 1.0 70.24 ? 176 ASN B C 1 178 . B ATOM 1285 O O . ASN B 1 178 ? -40.919 63.336 7.744 1.0 69.48 ? 176 ASN B O 1 178 . B ATOM 1286 C CB . ASN B 1 178 ? -39.689 60.158 7.873 1.0 74.02 ? 176 ASN B CB 1 178 . B ATOM 1287 C CG . ASN B 1 178 ? -38.299 59.542 7.966 1.0 77.71 ? 176 ASN B CG 1 178 . B ATOM 1288 O OD1 . ASN B 1 178 ? -37.358 60.202 8.389 1.0 81.83 ? 176 ASN B OD1 1 178 . B ATOM 1289 N ND2 . ASN B 1 178 ? -38.164 58.283 7.566 1.0 77.78 ? 176 ASN B ND2 1 178 . B ATOM 1290 N N . LEU B 1 179 ? -42.210 61.824 8.749 1.0 69.76 ? 177 LEU B N 1 179 . B ATOM 1291 C CA . LEU B 1 179 ? -43.402 62.604 8.449 1.0 70.78 ? 177 LEU B CA 1 179 . B ATOM 1292 C C . LEU B 1 179 ? -43.355 63.973 9.107 1.0 78.43 ? 177 LEU B C 1 179 . B ATOM 1293 O O . LEU B 1 179 ? -43.838 64.942 8.536 1.0 83.17 ? 177 LEU B O 1 179 . B ATOM 1294 C CB . LEU B 1 179 ? -44.666 61.876 8.873 1.0 65.9 ? 177 LEU B CB 1 179 . B ATOM 1295 C CG . LEU B 1 179 ? -44.868 60.527 8.208 1.0 63.59 ? 177 LEU B CG 1 179 . B ATOM 1296 C CD1 . LEU B 1 179 ? -46.170 59.944 8.692 1.0 63.78 ? 177 LEU B CD1 1 179 . B ATOM 1297 C CD2 . LEU B 1 179 ? -44.853 60.653 6.676 1.0 62.91 ? 177 LEU B CD2 1 179 . B ATOM 1298 N N . GLN B 1 180 ? -42.781 64.058 10.304 1.0 79.91 ? 178 GLN B N 1 180 . B ATOM 1299 C CA . GLN B 1 180 ? -42.675 65.347 10.984 1.0 82.79 ? 178 GLN B CA 1 180 . B ATOM 1300 C C . GLN B 1 180 ? -41.809 66.324 10.191 1.0 83.13 ? 178 GLN B C 1 180 . B ATOM 1301 O O . GLN B 1 180 ? -42.182 67.479 10.005 1.0 84.09 ? 178 GLN B O 1 180 . B ATOM 1302 C CB . GLN B 1 180 ? -42.154 65.184 12.414 1.0 85.71 ? 178 GLN B CB 1 180 . B ATOM 1303 C CG . GLN B 1 180 ? -43.254 65.298 13.478 1.0 89.96 ? 178 GLN B CG 1 180 . B ATOM 1304 C CD . GLN B 1 180 ? -42.882 64.662 14.820 1.0 91.09 ? 178 GLN B CD 1 180 . B ATOM 1305 O OE1 . GLN B 1 180 ? -41.726 64.291 15.056 1.0 93.44 ? 178 GLN B OE1 1 180 . B ATOM 1306 N NE2 . GLN B 1 180 ? -43.867 64.539 15.704 1.0 87.39 ? 178 GLN B NE2 1 180 . B ATOM 1307 N N . LYS B 1 181 ? -40.664 65.853 9.709 1.0 81.78 ? 179 LYS B N 1 181 . B ATOM 1308 C CA . LYS B 1 181 ? -39.785 66.694 8.917 1.0 84.91 ? 179 LYS B CA 1 181 . B ATOM 1309 C C . LYS B 1 181 ? -40.480 67.089 7.627 1.0 91.53 ? 179 LYS B C 1 181 . B ATOM 1310 O O . LYS B 1 181 ? -40.373 68.225 7.169 1.0 97.22 ? 179 LYS B O 1 181 . B ATOM 1311 C CB . LYS B 1 181 ? -38.495 65.957 8.596 1.0 83.95 ? 179 LYS B CB 1 181 . B ATOM 1312 C CG . LYS B 1 181 ? -37.505 66.782 7.803 1.0 87.96 ? 179 LYS B CG 1 181 . B ATOM 1313 C CD . LYS B 1 181 ? -36.168 66.069 7.749 1.0 92.37 ? 179 LYS B CD 1 181 . B ATOM 1314 C CE . LYS B 1 181 ? -35.200 66.706 6.775 1.0 94.38 ? 179 LYS B CE 1 181 . B ATOM 1315 N NZ . LYS B 1 181 ? -34.242 65.680 6.262 1.0 94.61 ? 179 LYS B NZ 1 181 . B ATOM 1316 N N . LEU B 1 182 ? -41.190 66.138 7.038 1.0 88.42 ? 180 LEU B N 1 182 . B ATOM 1317 C CA . LEU B 1 182 ? -41.980 66.415 5.859 1.0 85.17 ? 180 LEU B CA 1 182 . B ATOM 1318 C C . LEU B 1 182 ? -42.882 67.618 6.098 1.0 87.58 ? 180 LEU B C 1 182 . B ATOM 1319 O O . LEU B 1 182 ? -42.911 68.541 5.292 1.0 91.49 ? 180 LEU B O 1 182 . B ATOM 1320 C CB . LEU B 1 182 ? -42.833 65.206 5.512 1.0 81.73 ? 180 LEU B CB 1 182 . B ATOM 1321 C CG . LEU B 1 182 ? -43.594 65.316 4.194 1.0 78.14 ? 180 LEU B CG 1 182 . B ATOM 1322 C CD1 . LEU B 1 182 ? -42.643 65.097 3.037 1.0 76.97 ? 180 LEU B CD1 1 182 . B ATOM 1323 C CD2 . LEU B 1 182 ? -44.740 64.314 4.155 1.0 74.7 ? 180 LEU B CD2 1 182 . B ATOM 1324 N N . ALA B 1 183 ? -43.618 67.604 7.204 1.0 86.79 ? 181 ALA B N 1 183 . B ATOM 1325 C CA . ALA B 1 183 ? -44.493 68.721 7.549 1.0 91.65 ? 181 ALA B CA 1 183 . B ATOM 1326 C C . ALA B 1 183 ? -43.703 70.006 7.753 1.0 100.99 ? 181 ALA B C 1 183 . B ATOM 1327 O O . ALA B 1 183 ? -44.136 71.081 7.338 1.0 107.09 ? 181 ALA B O 1 183 . B ATOM 1328 C CB . ALA B 1 183 ? -45.296 68.407 8.788 1.0 90.43 ? 181 ALA B CB 1 183 . B ATOM 1329 N N . SER B 1 184 ? -42.544 69.891 8.394 1.0 101.77 ? 182 SER B N 1 184 . B ATOM 1330 C CA . SER B 1 184 ? -41.675 71.043 8.619 1.0 104.13 ? 182 SER B CA 1 184 . B ATOM 1331 C C . SER B 1 184 ? -41.336 71.776 7.332 1.0 104.34 ? 182 SER B C 1 184 . B ATOM 1332 O O . SER B 1 184 ? -41.385 73.005 7.282 1.0 106.62 ? 182 SER B O 1 184 . B ATOM 1333 C CB . SER B 1 184 ? -40.374 70.615 9.304 1.0 107.46 ? 182 SER B CB 1 184 . B ATOM 1334 O OG . SER B 1 184 ? -40.451 70.749 10.718 1.0 111.26 ? 182 SER B OG 1 184 . B ATOM 1335 N N . ILE B 1 185 ? -40.993 71.020 6.294 1.0 103.13 ? 183 ILE B N 1 185 . B ATOM 1336 C CA . ILE B 1 185 ? -40.408 71.613 5.098 1.0 105.49 ? 183 ILE B CA 1 185 . B ATOM 1337 C C . ILE B 1 185 ? -41.414 71.872 3.978 1.0 105.66 ? 183 ILE B C 1 185 . B ATOM 1338 O O . ILE B 1 185 ? -41.106 72.557 3.003 1.0 109.85 ? 183 ILE B O 1 185 . B ATOM 1339 C CB . ILE B 1 185 ? -39.209 70.786 4.564 1.0 88.72 ? 183 ILE B CB 1 185 . B ATOM 1340 C CG1 . ILE B 1 185 ? -39.631 69.861 3.438 1.0 88.59 ? 183 ILE B CG1 1 185 . B ATOM 1341 C CG2 . ILE B 1 185 ? -38.582 69.964 5.655 1.0 88.51 ? 183 ILE B CG2 1 185 . B ATOM 1342 C CD1 . ILE B 1 185 ? -38.500 68.979 2.998 1.0 89.67 ? 183 ILE B CD1 1 185 . B ATOM 1343 N N . THR B 1 186 ? -42.615 71.338 4.107 1.0 101.81 ? 184 THR B N 1 186 . B ATOM 1344 C CA . THR B 1 186 ? -43.622 71.627 3.106 1.0 103.92 ? 184 THR B CA 1 186 . B ATOM 1345 C C . THR B 1 186 ? -44.510 72.746 3.607 1.0 106.85 ? 184 THR B C 1 186 . B ATOM 1346 O O . THR B 1 186 ? -45.289 73.316 2.852 1.0 110.25 ? 184 THR B O 1 186 . B ATOM 1347 C CB . THR B 1 186 ? -44.466 70.395 2.735 1.0 105.04 ? 184 THR B CB 1 186 . B ATOM 1348 O OG1 . THR B 1 186 ? -45.328 70.046 3.826 1.0 107.87 ? 184 THR B OG1 1 186 . B ATOM 1349 C CG2 . THR B 1 186 ? -43.564 69.218 2.382 1.0 102.99 ? 184 THR B CG2 1 186 . B ATOM 1350 N N . GLU B 1 187 ? -44.402 73.058 4.890 1.0 107.02 ? 185 GLU B N 1 187 . B ATOM 1351 C CA . GLU B 1 187 ? -45.053 74.252 5.398 1.0 110.69 ? 185 GLU B CA 1 187 . B ATOM 1352 C C . GLU B 1 187 ? -44.114 75.417 5.114 1.0 117.79 ? 185 GLU B C 1 187 . B ATOM 1353 O O . GLU B 1 187 ? -44.547 76.547 4.878 1.0 120.32 ? 185 GLU B O 1 187 . B ATOM 1354 C CB . GLU B 1 187 ? -45.390 74.101 6.882 1.0 108.73 ? 185 GLU B CB 1 187 . B ATOM 1355 C CG . GLU B 1 187 ? -46.509 73.085 7.112 1.0 108.25 ? 185 GLU B CG 1 187 . B ATOM 1356 C CD . GLU B 1 187 ? -46.746 72.718 8.580 1.0 109.55 ? 185 GLU B CD 1 187 . B ATOM 1357 O OE1 . GLU B 1 187 ? -45.833 72.904 9.419 1.0 110.94 ? 185 GLU B OE1 1 187 . B ATOM 1358 O OE2 . GLU B 1 187 ? -47.858 72.225 8.886 1.0 107.31 ? 185 GLU B OE2 1 187 . B ATOM 1359 N N . ALA B 1 188 ? -42.819 75.110 5.093 1.0 120.67 ? 186 ALA B N 1 188 . B ATOM 1360 C CA . ALA B 1 188 ? -41.785 76.079 4.752 1.0 122.86 ? 186 ALA B CA 1 188 . B ATOM 1361 C C . ALA B 1 188 ? -41.914 76.506 3.297 1.0 124.5 ? 186 ALA B C 1 188 . B ATOM 1362 O O . ALA B 1 188 ? -41.854 77.693 2.975 1.0 129.99 ? 186 ALA B O 1 188 . B ATOM 1363 C CB . ALA B 1 188 ? -40.403 75.493 5.013 1.0 120.61 ? 186 ALA B CB 1 188 . B ATOM 1364 N N . MET B 1 189 ? -42.088 75.531 2.416 1.0 120.82 ? 187 MET B N 1 189 . B ATOM 1365 C CA . MET B 1 189 ? -42.279 75.824 1.005 1.0 122.9 ? 187 MET B CA 1 189 . B ATOM 1366 C C . MET B 1 189 ? -43.510 76.703 0.785 1.0 126.58 ? 187 MET B C 1 189 . B ATOM 1367 O O . MET B 1 189 ? -43.502 77.593 -0.065 1.0 129.8 ? 187 MET B O 1 189 . B ATOM 1368 C CB . MET B 1 189 ? -42.385 74.526 0.201 1.0 120.0 ? 187 MET B CB 1 189 . B ATOM 1369 C CG . MET B 1 189 ? -41.065 73.775 0.059 1.0 119.31 ? 187 MET B CG 1 189 . B ATOM 1370 S SD . MET B 1 189 ? -41.248 72.162 -0.736 1.0 129.47 ? 187 MET B SD 1 189 . B ATOM 1371 C CE . MET B 1 189 ? -39.546 71.794 -1.189 1.0 91.96 ? 187 MET B CE 1 189 . B ATOM 1372 N N . ASN B 1 190 ? -44.557 76.463 1.566 1.0 127.44 ? 188 ASN B N 1 190 . B ATOM 1373 C CA . ASN B 1 190 ? -45.807 77.205 1.429 1.0 131.41 ? 188 ASN B CA 1 190 . B ATOM 1374 C C . ASN B 1 190 ? -45.665 78.710 1.682 1.0 140.99 ? 188 ASN B C 1 190 . B ATOM 1375 O O . ASN B 1 190 ? -46.394 79.514 1.093 1.0 144.95 ? 188 ASN B O 1 190 . B ATOM 1376 C CB . ASN B 1 190 ? -46.875 76.621 2.352 1.0 126.91 ? 188 ASN B CB 1 190 . B ATOM 1377 C CG . ASN B 1 190 ? -48.273 77.032 1.951 1.0 125.2 ? 188 ASN B CG 1 190 . B ATOM 1378 O OD1 . ASN B 1 190 ? -48.610 77.047 0.768 1.0 123.38 ? 188 ASN B OD1 1 190 . B ATOM 1379 N ND2 . ASN B 1 190 ? -49.100 77.363 2.938 1.0 125.27 ? 188 ASN B ND2 1 190 . B ATOM 1380 N N . ARG B 1 191 ? -44.735 79.085 2.558 1.0 144.39 ? 189 ARG B N 1 191 . B ATOM 1381 C CA . ARG B 1 191 ? -44.453 80.496 2.827 1.0 149.8 ? 189 ARG B CA 1 191 . B ATOM 1382 C C . ARG B 1 191 ? -43.654 81.133 1.687 1.0 154.3 ? 189 ARG B C 1 191 . B ATOM 1383 O O . ARG B 1 191 ? -44.014 82.198 1.180 1.0 157.88 ? 189 ARG B O 1 191 . B ATOM 1384 C CB . ARG B 1 191 ? -43.680 80.651 4.136 1.0 149.2 ? 189 ARG B CB 1 191 . B ATOM 1385 C CG . ARG B 1 191 ? -44.200 79.788 5.269 1.0 146.93 ? 189 ARG B CG 1 191 . B ATOM 1386 C CD . ARG B 1 191 ? -43.482 80.105 6.571 1.0 148.95 ? 189 ARG B CD 1 191 . B ATOM 1387 N NE . ARG B 1 191 ? -43.836 79.158 7.622 1.0 147.97 ? 189 ARG B NE 1 191 . B ATOM 1388 C CZ . ARG B 1 191 ? -43.116 78.084 7.931 1.0 146.36 ? 189 ARG B CZ 1 191 . B ATOM 1389 N NH1 . ARG B 1 191 ? -41.994 77.828 7.271 1.0 146.26 ? 189 ARG B NH1 1 191 . B ATOM 1390 N NH2 . ARG B 1 191 ? -43.515 77.267 8.901 1.0 143.52 ? 189 ARG B NH2 1 191 . B ATOM 1391 N N . ASN B 1 192 ? -42.569 80.467 1.291 1.0 153.61 ? 190 ASN B N 1 192 . B ATOM 1392 C CA . ASN B 1 192 ? -41.675 80.974 0.250 1.0 155.07 ? 190 ASN B CA 1 192 . B ATOM 1393 C C . ASN B 1 192 ? -42.327 81.041 -1.132 1.0 156.26 ? 190 ASN B C 1 192 . B ATOM 1394 O O . ASN B 1 192 ? -41.690 81.440 -2.112 1.0 157.25 ? 190 ASN B O 1 192 . B ATOM 1395 C CB . ASN B 1 192 ? -40.384 80.145 0.193 1.0 151.49 ? 190 ASN B CB 1 192 . B ATOM 1396 C CG . ASN B 1 192 ? -39.567 80.236 1.478 1.0 149.49 ? 190 ASN B CG 1 192 . B ATOM 1397 O OD1 . ASN B 1 192 ? -40.077 80.000 2.579 1.0 146.22 ? 190 ASN B OD1 1 192 . B ATOM 1398 N ND2 . ASN B 1 192 ? -38.287 80.571 1.339 1.0 149.76 ? 190 ASN B ND2 1 192 . B ATOM 1399 N N . ASN B 1 193 ? -43.597 80.651 -1.202 1.0 155.5 ? 191 ASN B N 1 193 . B ATOM 1400 C CA . ASN B 1 193 ? -44.365 80.738 -2.439 1.0 155.29 ? 191 ASN B CA 1 193 . B ATOM 1401 C C . ASN B 1 193 ? -45.348 81.904 -2.375 1.0 159.37 ? 191 ASN B C 1 193 . B ATOM 1402 O O . ASN B 1 193 ? -45.742 82.338 -1.290 1.0 160.5 ? 191 ASN B O 1 193 . B ATOM 1403 C CB . ASN B 1 193 ? -45.100 79.429 -2.704 1.0 149.38 ? 191 ASN B CB 1 193 . B HETATM 1404 S S A PYV E 2 . ? -34.675 53.756 4.467 0.78 140.86 ? 201 PYV E S 1 201 . B HETATM 1405 BR BR A PYV E 2 . ? -32.321 52.576 10.212 0.78 222.68 ? 201 PYV E BR 1 201 . B HETATM 1406 C C1 A PYV E 2 . ? -33.014 52.861 8.480 0.78 102.71 ? 201 PYV E C1 1 201 . B HETATM 1407 N N1 A PYV E 2 . ? -35.924 52.796 4.209 0.78 104.04 ? 201 PYV E N1 1 201 . B HETATM 1408 O O1 A PYV E 2 . ? -33.678 53.520 3.461 0.78 139.65 ? 201 PYV E O1 1 201 . B HETATM 1409 C C2 A PYV E 2 . ? -32.968 51.756 7.479 0.78 102.38 ? 201 PYV E C2 1 201 . B HETATM 1410 N N2 A PYV E 2 . ? -38.121 54.132 6.659 0.78 101.49 ? 201 PYV E N2 1 201 . B HETATM 1411 O O2 A PYV E 2 . ? -35.082 55.137 4.464 0.78 140.75 ? 201 PYV E O2 1 201 . B HETATM 1412 C C3 A PYV E 2 . ? -33.516 52.031 6.138 0.78 102.0 ? 201 PYV E C3 1 201 . B HETATM 1413 C C4 A PYV E 2 . ? -34.072 53.390 5.886 0.78 101.47 ? 201 PYV E C4 1 201 . B HETATM 1414 C C5 A PYV E 2 . ? -34.068 54.365 6.880 0.78 99.91 ? 201 PYV E C5 1 201 . B HETATM 1415 C C6 A PYV E 2 . ? -33.556 54.103 8.146 0.78 100.97 ? 201 PYV E C6 1 201 . B HETATM 1416 C C7 A PYV E 2 . ? -33.488 51.023 5.179 0.78 102.36 ? 201 PYV E C7 1 201 . B HETATM 1417 C C8 A PYV E 2 . ? -32.946 49.778 5.510 0.78 102.07 ? 201 PYV E C8 1 201 . B HETATM 1418 C C9 A PYV E 2 . ? -32.428 49.516 6.778 0.78 101.32 ? 201 PYV E C9 1 201 . B HETATM 1419 C C10 A PYV E 2 . ? -32.438 50.499 7.763 0.78 102.23 ? 201 PYV E C10 1 201 . B HETATM 1420 C C11 A PYV E 2 . ? -37.245 53.323 4.494 0.78 103.08 ? 201 PYV E C11 1 201 . B HETATM 1421 C C12 A PYV E 2 . ? -37.524 53.139 5.965 0.78 100.98 ? 201 PYV E C12 1 201 . B HETATM 1422 C C13 A PYV E 2 . ? -38.383 53.991 7.966 0.78 100.74 ? 201 PYV E C13 1 201 . B HETATM 1423 C C14 A PYV E 2 . ? -38.048 52.820 8.637 0.78 99.18 ? 201 PYV E C14 1 201 . B HETATM 1424 C C15 A PYV E 2 . ? -37.436 51.783 7.943 0.78 98.6 ? 201 PYV E C15 1 201 . B HETATM 1425 C C16 A PYV E 2 . ? -37.171 51.946 6.591 0.78 98.89 ? 201 PYV E C16 1 201 . B # _entry.id 3NEG # _cell.entry_id 3NEG _cell.length_a 77.114 _cell.length_b 92.338 _cell.length_c 53.36 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 1 _cell.pdbx_unique_axis ? # _pdbe_orig_cell.entry_id 3NEG _pdbe_orig_cell.length_a 130.23 _pdbe_orig_cell.length_b 130.23 _pdbe_orig_cell.length_c 88.25 _pdbe_orig_cell.angle_alpha 90.00 _pdbe_orig_cell.angle_beta 90.00 _pdbe_orig_cell.angle_gamma 120.00 _pdbe_orig_cell.Z_PDB 12 _pdbe_orig_cell.pdbx_unique_axis ? _pdbe_orig_cell.length_a_esd ? _pdbe_orig_cell.length_b_esd ? _pdbe_orig_cell.length_c_esd ? _pdbe_orig_cell.angle_alpha_esd ? _pdbe_orig_cell.angle_beta_esd ? _pdbe_orig_cell.angle_gamma_esd ? # _symmetry.entry_id 3NEG _symmetry.space_group_name_H-M "P 1" _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number ? # _pdbe_orig_symmetry.entry_id 3NEG _pdbe_orig_symmetry.space_group_name_H-M "P 31 2 1" _pdbe_orig_symmetry.pdbx_full_space_group_name_H-M ? _pdbe_orig_symmetry.cell_setting ? _pdbe_orig_symmetry.Int_Tables_number 152 _pdbe_orig_symmetry.space_group_name_Hall ? # _entity_name_com.entity_id 1 _entity_name_com.name "PYL1, PYR1-like protein 1, ABI1-binding protein 6, Regulatory components of ABA receptor 9" # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name "mouse-ear cress" _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name "Arabidopsis thaliana" _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 3702 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name "Escherichia coli" _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 _entity_src_gen.host_org_genus ? _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain BL21(DE3) _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pET-15b _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _exptl.entry_id 3NEG _exptl.method "X-ray diffraction" _exptl.crystals_number 1 # _reflns.entry_id 3NEG _reflns.observed_criterion_sigma_I ? _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 69.503 _reflns.d_resolution_high 2.801 _reflns.number_obs 38331 _reflns.number_all ? _reflns.percent_possible_obs 93.1 _reflns.pdbx_Rmerge_I_obs 0.095 _reflns.pdbx_Rsym_value ? _reflns.pdbx_netI_over_sigmaI 10.5 _reflns.B_iso_Wilson_estimate 61.520 _reflns.pdbx_redundancy 6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_diffrn_id 1 _reflns.pdbx_ordinal 1 # _refine.entry_id 3NEG _refine.ls_number_reflns_obs 38331 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.30 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 69.503 _refine.ls_d_res_high 2.801 _refine.ls_percent_reflns_obs 93.02 _refine.ls_R_factor_obs 0.1974 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1951 _refine.ls_R_factor_R_free 0.2423 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.10 _refine.ls_number_reflns_R_free 1955 _refine.ls_number_reflns_R_work 36376 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 86.227 _refine.aniso_B[1][1] 13.0045 _refine.aniso_B[2][2] 13.0045 _refine.aniso_B[3][3] -26.0091 _refine.aniso_B[1][2] -0.0000 _refine.aniso_B[1][3] -0.0000 _refine.aniso_B[2][3] 0.0000 _refine.solvent_model_details "FLAT BULK SOLVENT MODEL" _refine.solvent_model_param_ksol 0.343 _refine.solvent_model_param_bsol 46.266 _refine.pdbx_solvent_vdw_probe_radii 1.11 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.90 _refine.pdbx_ls_cross_valid_method ? _refine.details "THE FRIEDEL PAIRS WERE USED FOR PHASING." _refine.pdbx_starting_model "PDB ENTRY 3KDJ" _refine.pdbx_method_to_determine_struct "MOLECULAR REPLACEMENT" _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.40 _refine.overall_SU_B ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set 0.833 _refine.B_iso_max 224.92 _refine.B_iso_min 36.09 _refine.pdbx_overall_phase_error 23.930 _refine.occupancy_max 1.00 _refine.occupancy_min 0.41 _refine.pdbx_refine_id "X-ray diffraction" _refine.pdbx_overall_ESU_R ? _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id "X-ray diffraction" _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 2870 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 45 _refine_hist.number_atoms_solvent 2 _refine_hist.number_atoms_total 2917 _refine_hist.d_res_high 2.801 _refine_hist.d_res_low 69.503 # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_defined_assembly ? monomeric 1 2 author_defined_assembly ? monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,F 2 1 B,E # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type "identity operation" _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 1 ? C N N 2 ? D N N 3 ? E N N 2 ? F N N 4 ? # _struct.entry_id 3NEG _struct.title "Pyrabactin-bound PYL1 structure in the open and close forms" _struct.pdbx_descriptor "Abscisic acid receptor PYL1 (E.C.3.1.3.16)" _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _atom_sites.entry_id 3NEG _atom_sites.Cartn_transform_axes ? _atom_sites.fract_transf_matrix[1][1] 1.000000 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 1.000000 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 1.000000 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _pdbe_orig_poly_seq_scheme.asym_id _pdbe_orig_poly_seq_scheme.entity_id _pdbe_orig_poly_seq_scheme.seq_id _pdbe_orig_poly_seq_scheme.mon_id _pdbe_orig_poly_seq_scheme.ndb_seq_num _pdbe_orig_poly_seq_scheme.pdb_seq_num _pdbe_orig_poly_seq_scheme.auth_seq_num _pdbe_orig_poly_seq_scheme.pdb_mon_id _pdbe_orig_poly_seq_scheme.auth_mon_id _pdbe_orig_poly_seq_scheme.pdb_strand_id _pdbe_orig_poly_seq_scheme.pdb_ins_code _pdbe_orig_poly_seq_scheme.hetero A 1 1 ILE 1 -1 ? ? ? A . n A 1 2 SER 2 0 ? ? ? A . n A 1 3 THR 3 1 ? ? ? A . n A 1 4 LEU 4 2 ? ? ? A . n A 1 5 HIS 5 3 3 HIS ALA A . n A 1 6 HIS 6 4 4 HIS HIS A . n A 1 7 GLN 7 5 5 GLN GLN A . n A 1 8 THR 8 6 6 THR THR A . n A 1 9 MET 9 7 7 MET MET A . n A 1 10 PRO 10 8 8 PRO PRO A . n A 1 11 SER 11 9 9 SER SER A . n A 1 12 ASP 12 10 10 ASP ASP A . n A 1 13 LEU 13 11 11 LEU LEU A . n A 1 14 THR 14 12 12 THR THR A . n A 1 15 GLN 15 13 13 GLN GLN A . n A 1 16 ASP 16 14 14 ASP ASP A . n A 1 17 GLU 17 15 15 GLU GLU A . n A 1 18 PHE 18 16 16 PHE PHE A . n A 1 19 THR 19 17 17 THR THR A . n A 1 20 GLN 20 18 18 GLN GLN A . n A 1 21 LEU 21 19 19 LEU LEU A . n A 1 22 SER 22 20 20 SER SER A . n A 1 23 GLN 23 21 21 GLN GLN A . n A 1 24 SER 24 22 22 SER SER A . n A 1 25 ILE 25 23 23 ILE ILE A . n A 1 26 ALA 26 24 24 ALA ALA A . n A 1 27 GLU 27 25 25 GLU GLU A . n A 1 28 PHE 28 26 26 PHE PHE A . n A 1 29 HIS 29 27 27 HIS HIS A . n A 1 30 THR 30 28 28 THR THR A . n A 1 31 TYR 31 29 29 TYR TYR A . n A 1 32 GLN 32 30 30 GLN GLN A . n A 1 33 LEU 33 31 31 LEU LEU A . n A 1 34 GLY 34 32 32 GLY GLY A . n A 1 35 ASN 35 33 33 ASN ASN A . n A 1 36 GLY 36 34 34 GLY GLY A . n A 1 37 ARG 37 35 35 ARG ARG A . n A 1 38 CYS 38 36 36 CYS CYS A . n A 1 39 SER 39 37 37 SER SER A . n A 1 40 SER 40 38 38 SER SER A . n A 1 41 LEU 41 39 39 LEU LEU A . n A 1 42 LEU 42 40 40 LEU LEU A . n A 1 43 ALA 43 41 41 ALA ALA A . n A 1 44 GLN 44 42 42 GLN GLN A . n A 1 45 ARG 45 43 43 ARG ARG A . n A 1 46 ILE 46 44 44 ILE ILE A . n A 1 47 HIS 47 45 45 HIS HIS A . n A 1 48 ALA 48 46 46 ALA ALA A . n A 1 49 PRO 49 47 47 PRO PRO A . n A 1 50 PRO 50 48 48 PRO PRO A . n A 1 51 GLU 51 49 49 GLU GLU A . n A 1 52 THR 52 50 50 THR THR A . n A 1 53 VAL 53 51 51 VAL VAL A . n A 1 54 TRP 54 52 52 TRP TRP A . n A 1 55 SER 55 53 53 SER SER A . n A 1 56 VAL 56 54 54 VAL VAL A . n A 1 57 VAL 57 55 55 VAL VAL A . n A 1 58 ARG 58 56 56 ARG ARG A . n A 1 59 ARG 59 57 57 ARG ARG A . n A 1 60 PHE 60 58 58 PHE PHE A . n A 1 61 ASP 61 59 59 ASP ASP A . n A 1 62 ARG 62 60 60 ARG ARG A . n A 1 63 PRO 63 61 61 PRO PRO A . n A 1 64 GLN 64 62 62 GLN GLN A . n A 1 65 ILE 65 63 63 ILE ILE A . n A 1 66 TYR 66 64 64 TYR TYR A . n A 1 67 LYS 67 65 65 LYS LYS A . n A 1 68 HIS 68 66 66 HIS HIS A . n A 1 69 PHE 69 67 67 PHE PHE A . n A 1 70 ILE 70 68 68 ILE ILE A . n A 1 71 LYS 71 69 69 LYS LYS A . n A 1 72 SER 72 70 70 SER SER A . n A 1 73 CYS 73 71 71 CYS CYS A . n A 1 74 ASN 74 72 72 ASN ASN A . n A 1 75 VAL 75 73 73 VAL VAL A . n A 1 76 SER 76 74 74 SER SER A . n A 1 77 GLU 77 75 75 GLU GLU A . n A 1 78 ASP 78 76 76 ASP ASP A . n A 1 79 PHE 79 77 77 PHE PHE A . n A 1 80 GLU 80 78 78 GLU GLU A . n A 1 81 MET 81 79 79 MET MET A . n A 1 82 ARG 82 80 80 ARG ARG A . n A 1 83 VAL 83 81 81 VAL VAL A . n A 1 84 GLY 84 82 82 GLY GLY A . n A 1 85 CYS 85 83 83 CYS CYS A . n A 1 86 THR 86 84 84 THR THR A . n A 1 87 ARG 87 85 85 ARG ARG A . n A 1 88 ASP 88 86 86 ASP ASP A . n A 1 89 VAL 89 87 87 VAL VAL A . n A 1 90 ASN 90 88 88 ASN ASN A . n A 1 91 VAL 91 89 89 VAL VAL A . n A 1 92 ILE 92 90 90 ILE ILE A . n A 1 93 SER 93 91 91 SER SER A . n A 1 94 GLY 94 92 92 GLY GLY A . n A 1 95 LEU 95 93 93 LEU LEU A . n A 1 96 PRO 96 94 94 PRO PRO A . n A 1 97 ALA 97 95 95 ALA ALA A . n A 1 98 ASN 98 96 96 ASN ASN A . n A 1 99 THR 99 97 97 THR THR A . n A 1 100 SER 100 98 98 SER SER A . n A 1 101 ARG 101 99 99 ARG ARG A . n A 1 102 GLU 102 100 100 GLU GLU A . n A 1 103 ARG 103 101 101 ARG ARG A . n A 1 104 LEU 104 102 102 LEU LEU A . n A 1 105 ASP 105 103 103 ASP ASP A . n A 1 106 LEU 106 104 104 LEU LEU A . n A 1 107 LEU 107 105 105 LEU LEU A . n A 1 108 ASP 108 106 106 ASP ASP A . n A 1 109 ASP 109 107 107 ASP ASP A . n A 1 110 ASP 110 108 108 ASP ASP A . n A 1 111 ARG 111 109 109 ARG ARG A . n A 1 112 ARG 112 110 110 ARG ARG A . n A 1 113 VAL 113 111 111 VAL VAL A . n A 1 114 THR 114 112 112 THR THR A . n A 1 115 GLY 115 113 113 GLY GLY A . n A 1 116 PHE 116 114 114 PHE PHE A . n A 1 117 SER 117 115 115 SER SER A . n A 1 118 ILE 118 116 116 ILE ILE A . n A 1 119 THR 119 117 117 THR THR A . n A 1 120 GLY 120 118 118 GLY GLY A . n A 1 121 GLY 121 119 119 GLY GLY A . n A 1 122 GLU 122 120 120 GLU GLU A . n A 1 123 HIS 123 121 121 HIS HIS A . n A 1 124 ARG 124 122 122 ARG ARG A . n A 1 125 LEU 125 123 123 LEU LEU A . n A 1 126 ARG 126 124 124 ARG ARG A . n A 1 127 ASN 127 125 125 ASN ASN A . n A 1 128 TYR 128 126 126 TYR TYR A . n A 1 129 LYS 129 127 127 LYS LYS A . n A 1 130 SER 130 128 128 SER SER A . n A 1 131 VAL 131 129 129 VAL VAL A . n A 1 132 THR 132 130 130 THR THR A . n A 1 133 THR 133 131 131 THR THR A . n A 1 134 VAL 134 132 132 VAL VAL A . n A 1 135 HIS 135 133 133 HIS HIS A . n A 1 136 ARG 136 134 134 ARG ARG A . n A 1 137 PHE 137 135 135 PHE PHE A . n A 1 138 GLU 138 136 136 GLU GLU A . n A 1 139 LYS 139 137 137 LYS ALA A . n A 1 140 GLU 140 138 ? ? ? A . n A 1 141 GLU 141 139 ? ? ? A . n A 1 142 GLU 142 140 ? ? ? A . n A 1 143 GLU 143 141 ? ? ? A . n A 1 144 GLU 144 142 ? ? ? A . n A 1 145 ARG 145 143 143 ARG ARG A . n A 1 146 ILE 146 144 144 ILE ILE A . n A 1 147 TRP 147 145 145 TRP TRP A . n A 1 148 THR 148 146 146 THR THR A . n A 1 149 VAL 149 147 147 VAL VAL A . n A 1 150 VAL 150 148 148 VAL VAL A . n A 1 151 LEU 151 149 149 LEU LEU A . n A 1 152 GLU 152 150 150 GLU GLU A . n A 1 153 SER 153 151 151 SER SER A . n A 1 154 TYR 154 152 152 TYR TYR A . n A 1 155 VAL 155 153 153 VAL VAL A . n A 1 156 VAL 156 154 154 VAL VAL A . n A 1 157 ASP 157 155 155 ASP ASP A . n A 1 158 VAL 158 156 156 VAL VAL A . n A 1 159 PRO 159 157 157 PRO PRO A . n A 1 160 GLU 160 158 158 GLU GLU A . n A 1 161 GLY 161 159 159 GLY GLY A . n A 1 162 ASN 162 160 160 ASN ASN A . n A 1 163 SER 163 161 161 SER SER A . n A 1 164 GLU 164 162 162 GLU GLU A . n A 1 165 GLU 165 163 163 GLU GLU A . n A 1 166 ASP 166 164 164 ASP ASP A . n A 1 167 THR 167 165 165 THR THR A . n A 1 168 ARG 168 166 166 ARG ARG A . n A 1 169 LEU 169 167 167 LEU LEU A . n A 1 170 PHE 170 168 168 PHE PHE A . n A 1 171 ALA 171 169 169 ALA ALA A . n A 1 172 ASP 172 170 170 ASP ASP A . n A 1 173 THR 173 171 171 THR THR A . n A 1 174 VAL 174 172 172 VAL VAL A . n A 1 175 ILE 175 173 173 ILE ILE A . n A 1 176 ARG 176 174 174 ARG ARG A . n A 1 177 LEU 177 175 175 LEU LEU A . n A 1 178 ASN 178 176 176 ASN ASN A . n A 1 179 LEU 179 177 177 LEU LEU A . n A 1 180 GLN 180 178 178 GLN GLN A . n A 1 181 LYS 181 179 179 LYS LYS A . n A 1 182 LEU 182 180 180 LEU LEU A . n A 1 183 ALA 183 181 181 ALA ALA A . n A 1 184 SER 184 182 182 SER SER A . n A 1 185 ILE 185 183 183 ILE ILE A . n A 1 186 THR 186 184 184 THR THR A . n A 1 187 GLU 187 185 185 GLU GLU A . n A 1 188 ALA 188 186 186 ALA ALA A . n A 1 189 MET 189 187 187 MET MET A . n A 1 190 ASN 190 188 188 ASN ASN A . n A 1 191 ARG 191 189 189 ARG ARG A . n A 1 192 ASN 192 190 ? ? ? A . n A 1 193 ASN 193 191 ? ? ? A . n A 1 194 ASN 194 192 ? ? ? A . n A 1 195 ASN 195 193 ? ? ? A . n A 1 196 ASN 196 194 ? ? ? A . n A 1 197 ASN 197 195 ? ? ? A . n A 1 198 SER 198 196 ? ? ? A . n A 1 199 SER 199 197 ? ? ? A . n A 1 200 GLN 200 198 ? ? ? A . n A 1 201 VAL 201 199 ? ? ? A . n A 1 202 ARG 202 200 ? ? ? A . n B 1 1 ILE 1 -1 ? ? ? B . n B 1 2 SER 2 0 ? ? ? B . n B 1 3 THR 3 1 ? ? ? B . n B 1 4 LEU 4 2 ? ? ? B . n B 1 5 HIS 5 3 ? ? ? B . n B 1 6 HIS 6 4 ? ? ? B . n B 1 7 GLN 7 5 ? ? ? B . n B 1 8 THR 8 6 ? ? ? B . n B 1 9 MET 9 7 ? ? ? B . n B 1 10 PRO 10 8 ? ? ? B . n B 1 11 SER 11 9 9 SER ALA B . n B 1 12 ASP 12 10 10 ASP ASP B . n B 1 13 LEU 13 11 11 LEU LEU B . n B 1 14 THR 14 12 12 THR THR B . n B 1 15 GLN 15 13 13 GLN GLN B . n B 1 16 ASP 16 14 14 ASP ASP B . n B 1 17 GLU 17 15 15 GLU GLU B . n B 1 18 PHE 18 16 16 PHE PHE B . n B 1 19 THR 19 17 17 THR THR B . n B 1 20 GLN 20 18 18 GLN GLN B . n B 1 21 LEU 21 19 19 LEU LEU B . n B 1 22 SER 22 20 20 SER SER B . n B 1 23 GLN 23 21 21 GLN GLN B . n B 1 24 SER 24 22 22 SER SER B . n B 1 25 ILE 25 23 23 ILE ILE B . n B 1 26 ALA 26 24 24 ALA ALA B . n B 1 27 GLU 27 25 25 GLU GLU B . n B 1 28 PHE 28 26 26 PHE PHE B . n B 1 29 HIS 29 27 27 HIS HIS B . n B 1 30 THR 30 28 28 THR THR B . n B 1 31 TYR 31 29 29 TYR TYR B . n B 1 32 GLN 32 30 30 GLN GLN B . n B 1 33 LEU 33 31 31 LEU LEU B . n B 1 34 GLY 34 32 32 GLY GLY B . n B 1 35 ASN 35 33 33 ASN ASN B . n B 1 36 GLY 36 34 34 GLY GLY B . n B 1 37 ARG 37 35 35 ARG ARG B . n B 1 38 CYS 38 36 36 CYS CYS B . n B 1 39 SER 39 37 37 SER SER B . n B 1 40 SER 40 38 38 SER SER B . n B 1 41 LEU 41 39 39 LEU LEU B . n B 1 42 LEU 42 40 40 LEU LEU B . n B 1 43 ALA 43 41 41 ALA ALA B . n B 1 44 GLN 44 42 42 GLN GLN B . n B 1 45 ARG 45 43 43 ARG ARG B . n B 1 46 ILE 46 44 44 ILE ILE B . n B 1 47 HIS 47 45 45 HIS HIS B . n B 1 48 ALA 48 46 46 ALA ALA B . n B 1 49 PRO 49 47 47 PRO PRO B . n B 1 50 PRO 50 48 48 PRO PRO B . n B 1 51 GLU 51 49 49 GLU GLU B . n B 1 52 THR 52 50 50 THR THR B . n B 1 53 VAL 53 51 51 VAL VAL B . n B 1 54 TRP 54 52 52 TRP TRP B . n B 1 55 SER 55 53 53 SER SER B . n B 1 56 VAL 56 54 54 VAL VAL B . n B 1 57 VAL 57 55 55 VAL VAL B . n B 1 58 ARG 58 56 56 ARG ARG B . n B 1 59 ARG 59 57 57 ARG ARG B . n B 1 60 PHE 60 58 58 PHE PHE B . n B 1 61 ASP 61 59 59 ASP ASP B . n B 1 62 ARG 62 60 60 ARG ARG B . n B 1 63 PRO 63 61 61 PRO PRO B . n B 1 64 GLN 64 62 62 GLN GLN B . n B 1 65 ILE 65 63 63 ILE ILE B . n B 1 66 TYR 66 64 64 TYR TYR B . n B 1 67 LYS 67 65 65 LYS LYS B . n B 1 68 HIS 68 66 66 HIS HIS B . n B 1 69 PHE 69 67 67 PHE PHE B . n B 1 70 ILE 70 68 68 ILE ILE B . n B 1 71 LYS 71 69 69 LYS LYS B . n B 1 72 SER 72 70 70 SER SER B . n B 1 73 CYS 73 71 71 CYS CYS B . n B 1 74 ASN 74 72 72 ASN ASN B . n B 1 75 VAL 75 73 73 VAL VAL B . n B 1 76 SER 76 74 74 SER SER B . n B 1 77 GLU 77 75 75 GLU GLU B . n B 1 78 ASP 78 76 76 ASP ASP B . n B 1 79 PHE 79 77 77 PHE PHE B . n B 1 80 GLU 80 78 78 GLU GLU B . n B 1 81 MET 81 79 79 MET MET B . n B 1 82 ARG 82 80 80 ARG ARG B . n B 1 83 VAL 83 81 81 VAL VAL B . n B 1 84 GLY 84 82 82 GLY GLY B . n B 1 85 CYS 85 83 83 CYS CYS B . n B 1 86 THR 86 84 84 THR THR B . n B 1 87 ARG 87 85 85 ARG ARG B . n B 1 88 ASP 88 86 86 ASP ASP B . n B 1 89 VAL 89 87 87 VAL VAL B . n B 1 90 ASN 90 88 88 ASN ASN B . n B 1 91 VAL 91 89 89 VAL VAL B . n B 1 92 ILE 92 90 90 ILE ILE B . n B 1 93 SER 93 91 91 SER SER B . n B 1 94 GLY 94 92 92 GLY GLY B . n B 1 95 LEU 95 93 93 LEU LEU B . n B 1 96 PRO 96 94 94 PRO PRO B . n B 1 97 ALA 97 95 95 ALA ALA B . n B 1 98 ASN 98 96 96 ASN ASN B . n B 1 99 THR 99 97 97 THR THR B . n B 1 100 SER 100 98 98 SER SER B . n B 1 101 ARG 101 99 99 ARG ARG B . n B 1 102 GLU 102 100 100 GLU GLU B . n B 1 103 ARG 103 101 101 ARG ARG B . n B 1 104 LEU 104 102 102 LEU LEU B . n B 1 105 ASP 105 103 103 ASP ASP B . n B 1 106 LEU 106 104 104 LEU LEU B . n B 1 107 LEU 107 105 105 LEU LEU B . n B 1 108 ASP 108 106 106 ASP ASP B . n B 1 109 ASP 109 107 107 ASP ASP B . n B 1 110 ASP 110 108 108 ASP ASP B . n B 1 111 ARG 111 109 109 ARG ARG B . n B 1 112 ARG 112 110 110 ARG ARG B . n B 1 113 VAL 113 111 111 VAL VAL B . n B 1 114 THR 114 112 112 THR THR B . n B 1 115 GLY 115 113 113 GLY GLY B . n B 1 116 PHE 116 114 114 PHE PHE B . n B 1 117 SER 117 115 115 SER SER B . n B 1 118 ILE 118 116 116 ILE ILE B . n B 1 119 THR 119 117 117 THR THR B . n B 1 120 GLY 120 118 118 GLY GLY B . n B 1 121 GLY 121 119 119 GLY GLY B . n B 1 122 GLU 122 120 120 GLU ALA B . n B 1 123 HIS 123 121 121 HIS ALA B . n B 1 124 ARG 124 122 122 ARG ALA B . n B 1 125 LEU 125 123 123 LEU LEU B . n B 1 126 ARG 126 124 124 ARG ARG B . n B 1 127 ASN 127 125 125 ASN ASN B . n B 1 128 TYR 128 126 126 TYR TYR B . n B 1 129 LYS 129 127 127 LYS LYS B . n B 1 130 SER 130 128 128 SER SER B . n B 1 131 VAL 131 129 129 VAL VAL B . n B 1 132 THR 132 130 130 THR THR B . n B 1 133 THR 133 131 131 THR THR B . n B 1 134 VAL 134 132 132 VAL VAL B . n B 1 135 HIS 135 133 133 HIS HIS B . n B 1 136 ARG 136 134 134 ARG ARG B . n B 1 137 PHE 137 135 135 PHE PHE B . n B 1 138 GLU 138 136 136 GLU ALA B . n B 1 139 LYS 139 137 137 LYS ALA B . n B 1 140 GLU 140 138 ? ? ? B . n B 1 141 GLU 141 139 ? ? ? B . n B 1 142 GLU 142 140 ? ? ? B . n B 1 143 GLU 143 141 ? ? ? B . n B 1 144 GLU 144 142 ? ? ? B . n B 1 145 ARG 145 143 ? ? ? B . n B 1 146 ILE 146 144 144 ILE ILE B . n B 1 147 TRP 147 145 145 TRP TRP B . n B 1 148 THR 148 146 146 THR THR B . n B 1 149 VAL 149 147 147 VAL VAL B . n B 1 150 VAL 150 148 148 VAL VAL B . n B 1 151 LEU 151 149 149 LEU LEU B . n B 1 152 GLU 152 150 150 GLU GLU B . n B 1 153 SER 153 151 151 SER SER B . n B 1 154 TYR 154 152 152 TYR TYR B . n B 1 155 VAL 155 153 153 VAL VAL B . n B 1 156 VAL 156 154 154 VAL VAL B . n B 1 157 ASP 157 155 155 ASP ASP B . n B 1 158 VAL 158 156 156 VAL VAL B . n B 1 159 PRO 159 157 157 PRO PRO B . n B 1 160 GLU 160 158 158 GLU GLU B . n B 1 161 GLY 161 159 159 GLY GLY B . n B 1 162 ASN 162 160 160 ASN ASN B . n B 1 163 SER 163 161 161 SER SER B . n B 1 164 GLU 164 162 162 GLU GLU B . n B 1 165 GLU 165 163 163 GLU GLU B . n B 1 166 ASP 166 164 164 ASP ASP B . n B 1 167 THR 167 165 165 THR THR B . n B 1 168 ARG 168 166 166 ARG ARG B . n B 1 169 LEU 169 167 167 LEU LEU B . n B 1 170 PHE 170 168 168 PHE PHE B . n B 1 171 ALA 171 169 169 ALA ALA B . n B 1 172 ASP 172 170 170 ASP ASP B . n B 1 173 THR 173 171 171 THR THR B . n B 1 174 VAL 174 172 172 VAL VAL B . n B 1 175 ILE 175 173 173 ILE ILE B . n B 1 176 ARG 176 174 174 ARG ARG B . n B 1 177 LEU 177 175 175 LEU LEU B . n B 1 178 ASN 178 176 176 ASN ASN B . n B 1 179 LEU 179 177 177 LEU LEU B . n B 1 180 GLN 180 178 178 GLN GLN B . n B 1 181 LYS 181 179 179 LYS LYS B . n B 1 182 LEU 182 180 180 LEU LEU B . n B 1 183 ALA 183 181 181 ALA ALA B . n B 1 184 SER 184 182 182 SER SER B . n B 1 185 ILE 185 183 183 ILE ILE B . n B 1 186 THR 186 184 184 THR THR B . n B 1 187 GLU 187 185 185 GLU GLU B . n B 1 188 ALA 188 186 186 ALA ALA B . n B 1 189 MET 189 187 187 MET MET B . n B 1 190 ASN 190 188 188 ASN ASN B . n B 1 191 ARG 191 189 189 ARG ARG B . n B 1 192 ASN 192 190 190 ASN ASN B . n B 1 193 ASN 193 191 191 ASN ALA B . n B 1 194 ASN 194 192 ? ? ? B . n B 1 195 ASN 195 193 ? ? ? B . n B 1 196 ASN 196 194 ? ? ? B . n B 1 197 ASN 197 195 ? ? ? B . n B 1 198 SER 198 196 ? ? ? B . n B 1 199 SER 199 197 ? ? ? B . n B 1 200 GLN 200 198 ? ? ? B . n B 1 201 VAL 201 199 ? ? ? B . n B 1 202 ARG 202 200 ? ? ? B . n # loop_ _pdbe_orig_nonpoly_scheme.asym_id _pdbe_orig_nonpoly_scheme.entity_id _pdbe_orig_nonpoly_scheme.mon_id _pdbe_orig_nonpoly_scheme.ndb_seq_num _pdbe_orig_nonpoly_scheme.pdb_seq_num _pdbe_orig_nonpoly_scheme.auth_seq_num _pdbe_orig_nonpoly_scheme.pdb_mon_id _pdbe_orig_nonpoly_scheme.auth_mon_id _pdbe_orig_nonpoly_scheme.pdb_strand_id _pdbe_orig_nonpoly_scheme.pdb_ins_code C 2 PYV 1 201 1 PYV PRB A . D 3 BR 1 202 1 BR BR A . E 2 PYV 1 201 1 PYV PRB B . F 4 HOH 1 203 1 HOH HOH A . F 4 HOH 2 204 2 HOH HOH A . # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details _entity.assembly_id 1 polymer man "Abscisic acid receptor PYL1" 23327.898 1 3.1.3.16 ? "UNP residues 20-221" ? 2 2 non-polymer syn 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide 377.256 1 ? ? ? ? 2 # _entity_poly.entity_id 1 _entity_poly.type polypeptide(L) _entity_poly.nstd_linkage no _entity_poly.nstd_monomer no _entity_poly.pdbx_seq_one_letter_code ;ISTLHHQTMPSDLTQDEFTQLSQSIAEFHTYQLGNGRCSSLLAQRIHAPPETVWSVVRRFDRPQIYKHFIKSCNVSEDFE MRVGCTRDVNVISGLPANTSRERLDLLDDDRRVTGFSITGGEHRLRNYKSVTTVHRFEKEEEEERIWTVVLESYVVDVPE GNSEEDTRLFADTVIRLNLQKLASITEAMNRNNNNNNSSQVR ; _entity_poly.pdbx_seq_one_letter_code_can ;ISTLHHQTMPSDLTQDEFTQLSQSIAEFHTYQLGNGRCSSLLAQRIHAPPETVWSVVRRFDRPQIYKHFIKSCNVSEDFE MRVGCTRDVNVISGLPANTSRERLDLLDDDRRVTGFSITGGEHRLRNYKSVTTVHRFEKEEEEERIWTVVLESYVVDVPE GNSEEDTRLFADTVIRLNLQKLASITEAMNRNNNNNNSSQVR ; _entity_poly.pdbx_strand_id B _entity_poly.pdbx_target_identifier ? _entity_poly.assembly_id 2 # _pdbx_entity_nonpoly.assembly_id 2 _pdbx_entity_nonpoly.entity_id 2 _pdbx_entity_nonpoly.name 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide _pdbx_entity_nonpoly.comp_id PYV # loop_ _pdbe_entity_remapping.source_coordinates _pdbe_entity_remapping.assembly_id _pdbe_entity_remapping.entity_id _pdbe_entity_remapping.type _pdbe_entity_remapping.description 3NEG 2 1 polypeptide(L) "Abscisic acid receptor PYL1" 3NEG 2 2 ligand 4-bromo-N-(pyridin-2-ylmethyl)naphthalene-1-sulfonamide # loop_ _pdbe_chain_remapping.source_coordinates _pdbe_chain_remapping.assembly_id _pdbe_chain_remapping.model_num _pdbe_chain_remapping.entity_id _pdbe_chain_remapping.orig_auth_asym_id _pdbe_chain_remapping.new_auth_asym_id _pdbe_chain_remapping.orig_label_asym_id _pdbe_chain_remapping.new_label_asym_id _pdbe_chain_remapping.applied_operations 3NEG 2 1 1 B B B B "_1" 3NEG 2 1 2 B E E E "_1" #