 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** ***elNémo ID: 2402051706551581705Job options:ID = 2402051706551581705 JOBID = USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:# generated by PyMOL 2.5.5 # data_obj01 _entry.id obj01 # _cell.entry_id obj01 _cell.length_a 58.800 _cell.length_b 87.380 _cell.length_c 46.790 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _symmetry.entry_id obj01 _symmetry.space_group_name_H-M 'P 21 21 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_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . PRO A 1 1 ? 29.101 40.275 5.208 1.00 38.81 0 A 1 ATOM 2 C CA . PRO A 1 1 ? 30.166 39.357 4.713 1.00 38.83 0 A 1 ATOM 3 C C . PRO A 1 1 ? 29.587 38.531 3.579 1.00 36.99 0 A 1 ATOM 4 O O . PRO A 1 1 ? 28.404 38.665 3.262 1.00 36.62 0 A 1 ATOM 5 C CB . PRO A 1 1 ? 30.585 38.417 5.846 1.00 40.43 0 A 1 ATOM 6 C CG . PRO A 1 1 ? 29.770 38.902 7.001 1.00 41.92 0 A 1 ATOM 7 C CD . PRO A 1 1 ? 28.565 39.466 6.309 1.00 39.34 0 A 1 ATOM 8 N N . GLN A 1 2 ? 30.433 37.721 2.947 1.00 35.88 0 A 1 ATOM 9 C CA . GLN A 1 2 ? 30.005 36.838 1.870 1.00 34.46 0 A 1 ATOM 10 C C . GLN A 1 2 ? 30.141 35.428 2.423 1.00 33.39 0 A 1 ATOM 11 O O . GLN A 1 2 ? 31.210 35.037 2.900 1.00 34.04 0 A 1 ATOM 12 C CB . GLN A 1 2 ? 30.869 37.003 0.623 1.00 34.43 0 A 1 ATOM 13 C CG . GLN A 1 2 ? 30.431 36.097 -0.513 1.00 34.79 0 A 1 ATOM 14 C CD . GLN A 1 2 ? 31.049 36.467 -1.835 1.00 36.04 0 A 1 ATOM 15 N NE2 . GLN A 1 2 ? 30.353 37.296 -2.603 1.00 33.33 0 A 1 ATOM 16 O OE1 . GLN A 1 2 ? 32.139 36.005 -2.170 1.00 37.04 0 A 1 ATOM 17 N N . ILE A 1 3 ? 29.046 34.681 2.383 1.00 28.88 0 A 1 ATOM 18 C CA . ILE A 1 3 ? 28.994 33.327 2.905 1.00 24.45 0 A 1 ATOM 19 C C . ILE A 1 3 ? 28.808 32.303 1.783 1.00 23.97 0 A 1 ATOM 20 O O . ILE A 1 3 ? 27.885 32.424 0.979 1.00 23.59 0 A 1 ATOM 21 C CB . ILE A 1 3 ? 27.853 33.225 3.923 1.00 24.46 0 A 1 ATOM 22 C CG1 . ILE A 1 3 ? 28.166 34.245 5.024 1.00 25.34 0 A 1 ATOM 23 C CG2 . ILE A 1 3 ? 27.731 31.817 4.495 1.00 23.46 0 A 1 ATOM 24 C CD1 . ILE A 1 3 ? 27.117 34.346 6.103 1.00 29.01 0 A 1 ATOM 25 N N . THR A 1 4 ? 29.729 31.342 1.685 1.00 24.95 0 A 1 ATOM 26 C CA . THR A 1 4 ? 29.642 30.275 0.678 1.00 22.97 0 A 1 ATOM 27 C C . THR A 1 4 ? 28.779 29.122 1.199 1.00 18.29 0 A 1 ATOM 28 O O . THR A 1 4 ? 28.550 28.991 2.408 1.00 15.09 0 A 1 ATOM 29 C CB . THR A 1 4 ? 31.016 29.735 0.250 1.00 24.37 0 A 1 ATOM 30 C CG2 . THR A 1 4 ? 31.756 30.767 -0.603 1.00 26.08 0 A 1 ATOM 31 O OG1 . THR A 1 4 ? 31.796 29.405 1.410 1.00 26.64 0 A 1 ATOM 32 N N . LEU A 1 5 ? 28.290 28.295 0.287 1.00 17.81 0 A 1 ATOM 33 C CA . LEU A 1 5 ? 27.432 27.188 0.665 1.00 16.51 0 A 1 ATOM 34 C C . LEU A 1 5 ? 28.091 25.803 0.659 1.00 16.07 0 A 1 ATOM 35 O O . LEU A 1 5 ? 27.406 24.795 0.508 1.00 15.81 0 A 1 ATOM 36 C CB . LEU A 1 5 ? 26.154 27.192 -0.182 1.00 14.89 0 A 1 ATOM 37 C CG . LEU A 1 5 ? 25.071 28.244 0.128 1.00 18.39 0 A 1 ATOM 38 C CD1 . LEU A 1 5 ? 25.155 28.768 1.558 1.00 10.21 0 A 1 ATOM 39 C CD2 . LEU A 1 5 ? 25.126 29.370 -0.866 1.00 17.47 0 A 1 ATOM 40 N N . TRP A 1 6 ? 29.417 25.757 0.773 1.00 14.60 0 A 1 ATOM 41 C CA . TRP A 1 6 ? 30.125 24.477 0.833 1.00 15.08 0 A 1 ATOM 42 C C . TRP A 1 6 ? 29.691 23.788 2.122 1.00 15.62 0 A 1 ATOM 43 O O . TRP A 1 6 ? 29.568 22.566 2.178 1.00 15.97 0 A 1 ATOM 44 C CB . TRP A 1 6 ? 31.637 24.691 0.892 1.00 16.28 0 A 1 ATOM 45 C CG . TRP A 1 6 ? 32.271 25.174 -0.365 1.00 17.81 0 A 1 ATOM 46 C CD1 . TRP A 1 6 ? 32.897 26.372 -0.565 1.00 17.81 0 A 1 ATOM 47 C CD2 . TRP A 1 6 ? 32.391 24.451 -1.595 1.00 17.13 0 A 1 ATOM 48 C CE2 . TRP A 1 6 ? 33.099 25.267 -2.498 1.00 19.30 0 A 1 ATOM 49 C CE3 . TRP A 1 6 ? 31.969 23.180 -2.034 1.00 18.76 0 A 1 ATOM 50 N NE1 . TRP A 1 6 ? 33.395 26.433 -1.840 1.00 19.57 0 A 1 ATOM 51 C CZ2 . TRP A 1 6 ? 33.396 24.864 -3.805 1.00 21.13 0 A 1 ATOM 52 C CZ3 . TRP A 1 6 ? 32.263 22.783 -3.328 1.00 17.00 0 A 1 ATOM 53 C CH2 . TRP A 1 6 ? 32.968 23.621 -4.197 1.00 16.81 0 A 1 ATOM 54 N N . GLN A 1 7 ? 29.492 24.591 3.161 1.00 13.40 0 A 1 ATOM 55 C CA . GLN A 1 7 ? 29.062 24.116 4.465 1.00 14.81 0 A 1 ATOM 56 C C . GLN A 1 7 ? 27.729 24.806 4.775 1.00 14.25 0 A 1 ATOM 57 O O . GLN A 1 7 ? 27.307 25.700 4.052 1.00 12.71 0 A 1 ATOM 58 C CB . GLN A 1 7 ? 30.100 24.483 5.534 1.00 18.01 0 A 1 ATOM 59 C CG . GLN A 1 7 ? 31.486 23.840 5.377 1.00 26.94 0 A 1 ATOM 60 C CD . GLN A 1 7 ? 32.529 24.733 4.691 1.00 33.14 0 A 1 ATOM 61 N NE2 . GLN A 1 7 ? 33.260 24.155 3.751 1.00 36.04 0 A 1 ATOM 62 O OE1 . GLN A 1 7 ? 32.712 25.905 5.042 1.00 36.71 0 A 1 ATOM 63 N N . ARG A 1 8 ? 27.052 24.364 5.829 1.00 13.72 0 A 1 ATOM 64 C CA . ARG A 1 8 ? 25.788 24.974 6.237 1.00 15.33 0 A 1 ATOM 65 C C . ARG A 1 8 ? 26.055 26.414 6.688 1.00 16.29 0 A 1 ATOM 66 O O . ARG A 1 8 ? 27.002 26.657 7.455 1.00 15.48 0 A 1 ATOM 67 C CB . ARG A 1 8 ? 25.169 24.199 7.405 1.00 14.23 0 A 1 ATOM 68 C CG . ARG A 1 8 ? 24.497 22.893 7.039 1.00 15.16 0 A 1 ATOM 69 C CD . ARG A 1 8 ? 23.892 22.256 8.274 1.00 17.59 0 A 1 ATOM 70 N NE . ARG A 1 8 ? 23.047 21.110 7.951 1.00 21.27 0 A 1 ATOM 71 C CZ . ARG A 1 8 ? 22.397 20.373 8.849 1.00 26.67 0 A 1 ATOM 72 N NH1 . ARG A 1 8 ? 22.487 20.652 10.146 1.00 27.40 1 A 1 ATOM 73 N NH2 . ARG A 1 8 ? 21.650 19.352 8.447 1.00 26.57 0 A 1 ATOM 74 N N . PRO A 1 9 ? 25.233 27.383 6.246 1.00 16.14 0 A 1 ATOM 75 C CA . PRO A 1 9 ? 25.427 28.788 6.635 1.00 17.33 0 A 1 ATOM 76 C C . PRO A 1 9 ? 24.970 29.091 8.073 1.00 15.65 0 A 1 ATOM 77 O O . PRO A 1 9 ? 23.938 29.727 8.284 1.00 16.85 0 A 1 ATOM 78 C CB . PRO A 1 9 ? 24.613 29.561 5.594 1.00 15.89 0 A 1 ATOM 79 C CG . PRO A 1 9 ? 23.488 28.620 5.278 1.00 16.43 0 A 1 ATOM 80 C CD . PRO A 1 9 ? 24.182 27.269 5.206 1.00 17.20 0 A 1 ATOM 81 N N . LEU A 1 10 ? 25.750 28.638 9.044 1.00 15.52 0 A 1 ATOM 82 C CA . LEU A 1 10 ? 25.455 28.843 10.459 1.00 18.17 0 A 1 ATOM 83 C C . LEU A 1 10 ? 26.138 30.108 10.967 1.00 19.55 0 A 1 ATOM 84 O O . LEU A 1 10 ? 27.301 30.358 10.641 1.00 22.81 0 A 1 ATOM 85 C CB . LEU A 1 10 ? 25.924 27.636 11.277 1.00 20.88 0 A 1 ATOM 86 C CG . LEU A 1 10 ? 25.175 26.338 10.957 1.00 24.00 0 A 1 ATOM 87 C CD1 . LEU A 1 10 ? 26.032 25.148 11.322 1.00 26.47 0 A 1 ATOM 88 C CD2 . LEU A 1 10 ? 23.832 26.280 11.681 1.00 24.73 0 A 1 ATOM 89 N N . VAL A 1 11 ? 25.419 30.894 11.769 1.00 18.97 0 A 1 ATOM 90 C CA . VAL A 1 11 ? 25.941 32.143 12.335 1.00 18.98 0 A 1 ATOM 91 C C . VAL A 1 11 ? 25.547 32.234 13.797 1.00 19.96 0 A 1 ATOM 92 O O . VAL A 1 11 ? 24.670 31.495 14.256 1.00 20.36 0 A 1 ATOM 93 C CB . VAL A 1 11 ? 25.372 33.390 11.628 1.00 17.81 0 A 1 ATOM 94 C CG1 . VAL A 1 11 ? 25.851 33.455 10.192 1.00 19.44 0 A 1 ATOM 95 C CG2 . VAL A 1 11 ? 23.849 33.402 11.685 1.00 16.82 0 A 1 ATOM 96 N N . THR A 1 12 ? 26.208 33.114 14.538 1.00 20.28 0 A 1 ATOM 97 C CA . THR A 1 12 ? 25.884 33.299 15.945 1.00 21.63 0 A 1 ATOM 98 C C . THR A 1 12 ? 24.839 34.400 16.069 1.00 21.99 0 A 1 ATOM 99 O O . THR A 1 12 ? 24.944 35.445 15.421 1.00 24.26 0 A 1 ATOM 100 C CB . THR A 1 12 ? 27.117 33.692 16.758 1.00 25.51 0 A 1 ATOM 101 C CG2 . THR A 1 12 ? 26.766 33.801 18.239 1.00 27.63 0 A 1 ATOM 102 O OG1 . THR A 1 12 ? 28.133 32.692 16.594 1.00 33.20 0 A 1 ATOM 103 N N . ILE A 1 13 ? 23.803 34.138 16.854 1.00 21.09 0 A 1 ATOM 104 C CA . ILE A 1 13 ? 22.745 35.109 17.086 1.00 21.83 0 A 1 ATOM 105 C C . ILE A 1 13 ? 22.658 35.305 18.593 1.00 23.49 0 A 1 ATOM 106 O O . ILE A 1 13 ? 23.098 34.439 19.362 1.00 24.08 0 A 1 ATOM 107 C CB . ILE A 1 13 ? 21.365 34.638 16.559 1.00 21.31 0 A 1 ATOM 108 C CG1 . ILE A 1 13 ? 20.831 33.440 17.357 1.00 23.22 0 A 1 ATOM 109 C CG2 . ILE A 1 13 ? 21.440 34.325 15.062 1.00 19.27 0 A 1 ATOM 110 C CD1 . ILE A 1 13 ? 19.338 33.198 17.192 1.00 22.50 0 A 1 ATOM 111 N N . LYS A 1 14 ? 22.166 36.464 19.018 1.00 25.48 0 A 1 ATOM 112 C CA . LYS A 1 14 ? 22.002 36.749 20.439 1.00 25.58 0 A 1 ATOM 113 C C . LYS A 1 14 ? 20.537 37.069 20.608 1.00 23.10 0 A 1 ATOM 114 O O . LYS A 1 14 ? 20.005 37.935 19.912 1.00 21.02 0 A 1 ATOM 115 C CB . LYS A 1 14 ? 22.849 37.946 20.884 1.00 30.74 0 A 1 ATOM 116 C CG . LYS A 1 14 ? 22.960 38.098 22.405 1.00 36.93 0 A 1 ATOM 117 C CD . LYS A 1 14 ? 22.543 39.488 22.905 1.00 44.75 0 A 1 ATOM 118 C CE . LYS A 1 14 ? 21.025 39.624 23.151 1.00 50.25 0 A 1 ATOM 119 N NZ . LYS A 1 14 ? 20.214 40.191 22.016 1.00 50.57 1 A 1 ATOM 120 N N . ILE A 1 15 ? 19.884 36.355 21.509 1.00 23.56 0 A 1 ATOM 121 C CA . ILE A 1 15 ? 18.470 36.559 21.766 1.00 28.43 0 A 1 ATOM 122 C C . ILE A 1 15 ? 18.219 36.350 23.246 1.00 30.44 0 A 1 ATOM 123 O O . ILE A 1 15 ? 18.560 35.309 23.801 1.00 32.02 0 A 1 ATOM 124 C CB . ILE A 1 15 ? 17.603 35.610 20.924 1.00 27.55 0 A 1 ATOM 125 C CG1 . ILE A 1 15 ? 16.125 35.791 21.269 1.00 28.64 0 A 1 ATOM 126 C CG2 . ILE A 1 15 ? 18.055 34.164 21.110 1.00 27.45 0 A 1 ATOM 127 C CD1 . ILE A 1 15 ? 15.172 35.007 20.376 1.00 29.42 0 A 1 ATOM 128 N N . GLY A 1 16 ? 17.687 37.373 23.899 1.00 34.09 0 A 1 ATOM 129 C CA . GLY A 1 16 ? 17.421 37.281 25.323 1.00 38.39 0 A 1 ATOM 130 C C . GLY A 1 16 ? 18.705 37.124 26.124 1.00 39.67 0 A 1 ATOM 131 O O . GLY A 1 16 ? 18.728 36.434 27.144 1.00 41.68 0 A 1 ATOM 132 N N . GLY A 1 17 ? 19.780 37.744 25.648 1.00 39.75 0 A 1 ATOM 133 C CA . GLY A 1 17 ? 21.058 37.654 26.329 1.00 41.61 0 A 1 ATOM 134 C C . GLY A 1 17 ? 21.815 36.378 26.002 1.00 42.88 0 A 1 ATOM 135 O O . GLY A 1 17 ? 23.029 36.304 26.174 1.00 44.84 0 A 1 ATOM 136 N N . GLN A 1 18 ? 21.097 35.382 25.496 1.00 42.11 0 A 1 ATOM 137 C CA . GLN A 1 18 ? 21.682 34.100 25.144 1.00 40.97 0 A 1 ATOM 138 C C . GLN A 1 18 ? 22.292 34.099 23.749 1.00 37.56 0 A 1 ATOM 139 O O . GLN A 1 18 ? 21.709 34.630 22.802 1.00 34.27 0 A 1 ATOM 140 C CB . GLN A 1 18 ? 20.607 33.010 25.209 1.00 46.19 0 A 1 ATOM 141 C CG . GLN A 1 18 ? 20.063 32.711 26.605 1.00 51.36 0 A 1 ATOM 142 C CD . GLN A 1 18 ? 18.732 31.966 26.567 1.00 55.11 0 A 1 ATOM 143 N NE2 . GLN A 1 18 ? 17.647 32.699 26.773 1.00 58.31 0 A 1 ATOM 144 O OE1 . GLN A 1 18 ? 18.681 30.750 26.358 1.00 54.33 0 A 1 ATOM 145 N N . LEU A 1 19 ? 23.472 33.504 23.632 1.00 36.18 0 A 1 ATOM 146 C CA . LEU A 1 19 ? 24.140 33.379 22.345 1.00 34.65 0 A 1 ATOM 147 C C . LEU A 1 19 ? 23.747 32.002 21.815 1.00 31.71 0 A 1 ATOM 148 O O . LEU A 1 19 ? 23.799 31.014 22.545 1.00 32.40 0 A 1 ATOM 149 C CB . LEU A 1 19 ? 25.658 33.462 22.505 1.00 37.24 0 A 1 ATOM 150 C CG . LEU A 1 19 ? 26.181 34.855 22.856 1.00 38.40 0 A 1 ATOM 151 C CD1 . LEU A 1 19 ? 27.642 34.756 23.256 1.00 41.77 0 A 1 ATOM 152 C CD2 . LEU A 1 19 ? 26.023 35.793 21.673 1.00 40.34 0 A 1 ATOM 153 N N . LYS A 1 20 ? 23.309 31.944 20.566 1.00 28.19 0 A 1 ATOM 154 C CA . LYS A 1 20 ? 22.899 30.685 19.956 1.00 25.75 0 A 1 ATOM 155 C C . LYS A 1 20 ? 23.449 30.600 18.541 1.00 25.40 0 A 1 ATOM 156 O O . LYS A 1 20 ? 23.909 31.588 17.984 1.00 26.46 0 A 1 ATOM 157 C CB . LYS A 1 20 ? 21.371 30.573 19.927 1.00 26.22 0 A 1 ATOM 158 C CG . LYS A 1 20 ? 20.729 30.362 21.300 1.00 31.21 0 A 1 ATOM 159 C CD . LYS A 1 20 ? 19.212 30.392 21.221 1.00 34.32 0 A 1 ATOM 160 C CE . LYS A 1 20 ? 18.574 30.092 22.574 1.00 39.84 0 A 1 ATOM 161 N NZ . LYS A 1 20 ? 18.702 28.661 22.986 1.00 46.01 1 A 1 ATOM 162 N N . GLU A 1 21 ? 23.448 29.401 17.981 1.00 25.03 0 A 1 ATOM 163 C CA . GLU A 1 21 ? 23.934 29.179 16.621 1.00 23.77 0 A 1 ATOM 164 C C . GLU A 1 21 ? 22.680 28.966 15.781 1.00 19.87 0 A 1 ATOM 165 O O . GLU A 1 21 ? 21.794 28.195 16.173 1.00 20.70 0 A 1 ATOM 166 C CB . GLU A 1 21 ? 24.824 27.932 16.592 1.00 29.97 0 A 1 ATOM 167 C CG . GLU A 1 21 ? 25.488 27.624 15.264 1.00 42.18 0 A 1 ATOM 168 C CD . GLU A 1 21 ? 26.316 26.346 15.318 1.00 48.85 0 A 1 ATOM 169 O OE1 . GLU A 1 21 ? 25.729 25.250 15.486 1.00 51.53 0 A 1 ATOM 170 O OE2 . GLU A 1 21 ? 27.557 26.440 15.197 1.00 52.78 -1 A 1 ATOM 171 N N . ALA A 1 22 ? 22.576 29.652 14.651 1.00 13.86 0 A 1 ATOM 172 C CA . ALA A 1 22 ? 21.396 29.499 13.820 1.00 9.72 0 A 1 ATOM 173 C C . ALA A 1 22 ? 21.762 29.415 12.362 1.00 9.94 0 A 1 ATOM 174 O O . ALA A 1 22 ? 22.833 29.842 11.954 1.00 10.95 0 A 1 ATOM 175 C CB . ALA A 1 22 ? 20.418 30.628 14.063 1.00 9.44 0 A 1 ATOM 176 N N . LEU A 1 23 ? 20.841 28.862 11.590 1.00 12.42 0 A 1 ATOM 177 C CA . LEU A 1 23 ? 20.996 28.657 10.159 1.00 11.56 0 A 1 ATOM 178 C C . LEU A 1 23 ? 20.323 29.774 9.349 1.00 12.84 0 A 1 ATOM 179 O O . LEU A 1 23 ? 19.166 30.108 9.609 1.00 14.53 0 A 1 ATOM 180 C CB . LEU A 1 23 ? 20.354 27.305 9.813 1.00 13.63 0 A 1 ATOM 181 C CG . LEU A 1 23 ? 20.494 26.735 8.408 1.00 16.00 0 A 1 ATOM 182 C CD1 . LEU A 1 23 ? 21.937 26.388 8.138 1.00 19.79 0 A 1 ATOM 183 C CD2 . LEU A 1 23 ? 19.615 25.499 8.291 1.00 22.86 0 A 1 ATOM 184 N N . LEU A 1 24 ? 21.051 30.367 8.398 1.00 12.55 0 A 1 ATOM 185 C CA . LEU A 1 24 ? 20.509 31.413 7.527 1.00 9.68 0 A 1 ATOM 186 C C . LEU A 1 24 ? 19.804 30.647 6.424 1.00 8.20 0 A 1 ATOM 187 O O . LEU A 1 24 ? 20.444 30.111 5.518 1.00 10.67 0 A 1 ATOM 188 C CB . LEU A 1 24 ? 21.635 32.286 6.951 1.00 12.68 0 A 1 ATOM 189 C CG . LEU A 1 24 ? 22.464 33.023 8.013 1.00 14.71 0 A 1 ATOM 190 C CD1 . LEU A 1 24 ? 23.549 33.848 7.343 1.00 16.55 0 A 1 ATOM 191 C CD2 . LEU A 1 24 ? 21.570 33.917 8.870 1.00 14.85 0 A 1 ATOM 192 N N . ASP A 1 25 ? 18.484 30.636 6.488 1.00 6.80 0 A 1 ATOM 193 C CA . ASP A 1 25 ? 17.672 29.871 5.567 1.00 8.77 0 A 1 ATOM 194 C C . ASP A 1 25 ? 16.732 30.658 4.647 1.00 7.68 0 A 1 ATOM 195 O O . ASP A 1 25 ? 15.644 31.065 5.050 1.00 9.19 0 A 1 ATOM 196 C CB . ASP A 1 25 ? 16.886 28.871 6.419 1.00 9.25 0 A 1 ATOM 197 C CG . ASP A 1 25 ? 16.175 27.807 5.609 1.00 11.70 0 A 1 ATOM 198 O OD1 . ASP A 1 25 ? 16.188 27.837 4.358 1.00 13.65 0 A 1 ATOM 199 O OD2 . ASP A 1 25 ? 15.603 26.911 6.254 1.00 10.38 -1 A 1 ATOM 200 N N . THR A 1 26 ? 17.092 30.735 3.370 1.00 8.41 0 A 1 ATOM 201 C CA . THR A 1 26 ? 16.284 31.439 2.382 1.00 9.06 0 A 1 ATOM 202 C C . THR A 1 26 ? 14.980 30.712 2.036 1.00 11.20 0 A 1 ATOM 203 O O . THR A 1 26 ? 14.048 31.309 1.491 1.00 9.90 0 A 1 ATOM 204 C CB . THR A 1 26 ? 17.063 31.655 1.094 1.00 9.40 0 A 1 ATOM 205 C CG2 . THR A 1 26 ? 18.327 32.447 1.363 1.00 8.79 0 A 1 ATOM 206 O OG1 . THR A 1 26 ? 17.414 30.390 0.532 1.00 11.12 0 A 1 ATOM 207 N N . GLY A 1 27 ? 14.929 29.418 2.326 1.00 11.70 0 A 1 ATOM 208 C CA . GLY A 1 27 ? 13.732 28.647 2.044 1.00 8.52 0 A 1 ATOM 209 C C . GLY A 1 27 ? 12.670 28.777 3.115 1.00 8.27 0 A 1 ATOM 210 O O . GLY A 1 27 ? 11.509 28.421 2.880 1.00 10.60 0 A 1 ATOM 211 N N . ALA A 1 28 ? 13.060 29.269 4.293 1.00 8.23 0 A 1 ATOM 212 C CA . ALA A 1 28 ? 12.138 29.446 5.413 1.00 7.68 0 A 1 ATOM 213 C C . ALA A 1 28 ? 11.425 30.795 5.404 1.00 10.23 0 A 1 ATOM 214 O O . ALA A 1 28 ? 12.063 31.845 5.429 1.00 10.63 0 A 1 ATOM 215 C CB . ALA A 1 28 ? 12.875 29.276 6.712 1.00 3.31 0 A 1 ATOM 216 N N . ASP A 1 29 ? 10.098 30.765 5.407 1.00 9.37 0 A 1 ATOM 217 C CA . ASP A 1 29 ? 9.333 32.005 5.429 1.00 12.25 0 A 1 ATOM 218 C C . ASP A 1 29 ? 9.457 32.636 6.800 1.00 14.51 0 A 1 ATOM 219 O O . ASP A 1 29 ? 9.562 33.855 6.925 1.00 13.71 0 A 1 ATOM 220 C CB . ASP A 1 29 ? 7.852 31.745 5.149 1.00 11.78 0 A 1 ATOM 221 C CG . ASP A 1 29 ? 7.595 31.246 3.745 1.00 13.80 0 A 1 ATOM 222 O OD1 . ASP A 1 29 ? 8.471 31.381 2.875 1.00 15.08 0 A 1 ATOM 223 O OD2 . ASP A 1 29 ? 6.500 30.710 3.507 1.00 17.23 -1 A 1 ATOM 224 N N . ASP A 1 30 ? 9.491 31.786 7.821 1.00 13.61 0 A 1 ATOM 225 C CA . ASP A 1 30 ? 9.557 32.230 9.204 1.00 14.73 0 A 1 ATOM 226 C C . ASP A 1 30 ? 10.846 31.864 9.921 1.00 14.17 0 A 1 ATOM 227 O O . ASP A 1 30 ? 11.695 31.139 9.388 1.00 13.72 0 A 1 ATOM 228 C CB . ASP A 1 30 ? 8.374 31.647 9.977 1.00 19.77 0 A 1 ATOM 229 C CG . ASP A 1 30 ? 7.050 31.899 9.286 1.00 27.79 0 A 1 ATOM 230 O OD1 . ASP A 1 30 ? 6.711 33.078 9.034 1.00 32.15 0 A 1 ATOM 231 O OD2 . ASP A 1 30 ? 6.343 30.915 8.985 1.00 31.58 -1 A 1 ATOM 232 N N . THR A 1 31 ? 10.984 32.394 11.131 1.00 11.58 0 A 1 ATOM 233 C CA . THR A 1 31 ? 12.130 32.150 11.983 1.00 12.46 0 A 1 ATOM 234 C C . THR A 1 31 ? 11.617 31.233 13.103 1.00 12.87 0 A 1 ATOM 235 O O . THR A 1 31 ? 10.637 31.553 13.784 1.00 12.62 0 A 1 ATOM 236 C CB . THR A 1 31 ? 12.676 33.481 12.532 1.00 11.89 0 A 1 ATOM 237 C CG2 . THR A 1 31 ? 13.720 33.248 13.596 1.00 10.10 0 A 1 ATOM 238 O OG1 . THR A 1 31 ? 13.260 34.230 11.461 1.00 9.27 0 A 1 ATOM 239 N N . VAL A 1 32 ? 12.239 30.068 13.248 1.00 14.06 0 A 1 ATOM 240 C CA . VAL A 1 32 ? 11.818 29.097 14.253 1.00 13.79 0 A 1 ATOM 241 C C . VAL A 1 32 ? 13.000 28.758 15.127 1.00 11.73 0 A 1 ATOM 242 O O . VAL A 1 32 ? 14.065 28.424 14.625 1.00 13.89 0 A 1 ATOM 243 C CB . VAL A 1 32 ? 11.301 27.789 13.616 1.00 13.73 0 A 1 ATOM 244 C CG1 . VAL A 1 32 ? 10.489 27.007 14.620 1.00 12.47 0 A 1 ATOM 245 C CG2 . VAL A 1 32 ? 10.483 28.080 12.365 1.00 12.53 0 A 1 ATOM 246 N N . LEU A 1 33 ? 12.815 28.839 16.438 1.00 11.57 0 A 1 ATOM 247 C CA . LEU A 1 33 ? 13.891 28.540 17.367 1.00 16.79 0 A 1 ATOM 248 C C . LEU A 1 33 ? 13.495 27.391 18.294 1.00 17.52 0 A 1 ATOM 249 O O . LEU A 1 33 ? 12.309 27.156 18.546 1.00 16.39 0 A 1 ATOM 250 C CB . LEU A 1 33 ? 14.264 29.783 18.188 1.00 16.78 0 A 1 ATOM 251 C CG . LEU A 1 33 ? 14.781 31.014 17.422 1.00 17.35 0 A 1 ATOM 252 C CD1 . LEU A 1 33 ? 15.067 32.087 18.442 1.00 21.92 0 A 1 ATOM 253 C CD2 . LEU A 1 33 ? 16.034 30.729 16.596 1.00 14.56 0 A 1 ATOM 254 N N . GLU A 1 34 ? 14.501 26.673 18.779 1.00 19.32 0 A 1 ATOM 255 C CA . GLU A 1 34 ? 14.294 25.542 19.678 1.00 22.04 0 A 1 ATOM 256 C C . GLU A 1 34 ? 13.681 26.050 20.968 1.00 20.57 0 A 1 ATOM 257 O O . GLU A 1 34 ? 13.901 27.194 21.339 1.00 19.19 0 A 1 ATOM 258 C CB . GLU A 1 34 ? 15.631 24.853 19.960 1.00 27.51 0 A 1 ATOM 259 C CG . GLU A 1 34 ? 16.279 24.236 18.713 1.00 37.10 0 A 1 ATOM 260 C CD . GLU A 1 34 ? 17.708 23.738 18.934 1.00 41.24 0 A 1 ATOM 261 O OE1 . GLU A 1 34 ? 18.227 23.844 20.071 1.00 44.97 0 A 1 ATOM 262 O OE2 . GLU A 1 34 ? 18.315 23.239 17.955 1.00 43.00 -1 A 1 ATOM 263 N N . GLU A 1 35 ? 12.875 25.207 21.610 1.00 19.48 0 A 1 ATOM 264 C CA . GLU A 1 35 ? 12.205 25.533 22.872 1.00 22.32 0 A 1 ATOM 265 C C . GLU A 1 35 ? 12.980 26.426 23.824 1.00 21.81 0 A 1 ATOM 266 O O . GLU A 1 35 ? 14.079 26.079 24.248 1.00 21.31 0 A 1 ATOM 267 C CB . GLU A 1 35 ? 11.824 24.256 23.616 1.00 25.13 0 A 1 ATOM 268 C CG . GLU A 1 35 ? 10.486 23.681 23.214 1.00 32.42 0 A 1 ATOM 269 C CD . GLU A 1 35 ? 9.336 24.602 23.563 1.00 36.47 0 A 1 ATOM 270 O OE1 . GLU A 1 35 ? 9.420 25.282 24.605 1.00 38.66 0 A 1 ATOM 271 O OE2 . GLU A 1 35 ? 8.354 24.653 22.792 1.00 43.13 -1 A 1 ATOM 272 N N . MET A 1 36 ? 12.385 27.561 24.177 1.00 23.74 0 A 1 ATOM 273 C CA . MET A 1 36 ? 13.000 28.520 25.088 1.00 25.03 0 A 1 ATOM 274 C C . MET A 1 36 ? 11.944 29.471 25.624 1.00 25.30 0 A 1 ATOM 275 O O . MET A 1 36 ? 10.840 29.558 25.087 1.00 24.59 0 A 1 ATOM 276 C CB . MET A 1 36 ? 14.127 29.306 24.402 1.00 26.81 0 A 1 ATOM 277 C CG . MET A 1 36 ? 13.697 30.227 23.264 1.00 26.22 0 A 1 ATOM 278 S SD . MET A 1 36 ? 15.108 31.089 22.556 1.00 30.16 0 A 1 ATOM 279 C CE . MET A 1 36 ? 15.553 32.186 23.914 1.00 26.70 0 A 1 ATOM 280 N N . SER A 1 37 ? 12.288 30.171 26.696 1.00 28.26 0 A 1 ATOM 281 C CA . SER A 1 37 ? 11.372 31.115 27.321 1.00 32.19 0 A 1 ATOM 282 C C . SER A 1 37 ? 11.595 32.539 26.823 1.00 30.97 0 A 1 ATOM 283 O O . SER A 1 37 ? 12.697 33.078 26.905 1.00 33.19 0 A 1 ATOM 284 C CB . SER A 1 37 ? 11.513 31.062 28.841 1.00 33.18 0 A 1 ATOM 285 O OG . SER A 1 37 ? 10.240 30.969 29.463 1.00 40.94 0 A 1 ATOM 286 N N . LEU A 1 38 ? 10.551 33.105 26.231 1.00 30.00 0 A 1 ATOM 287 C CA . LEU A 1 38 ? 10.579 34.463 25.731 1.00 28.63 0 A 1 ATOM 288 C C . LEU A 1 38 ? 9.497 35.192 26.492 1.00 32.15 0 A 1 ATOM 289 O O . LEU A 1 38 ? 8.481 34.592 26.876 1.00 32.92 0 A 1 ATOM 290 C CB . LEU A 1 38 ? 10.291 34.497 24.231 1.00 24.71 0 A 1 ATOM 291 C CG . LEU A 1 38 ? 11.500 34.055 23.421 1.00 23.59 0 A 1 ATOM 292 C CD1 . LEU A 1 38 ? 11.146 34.074 21.947 1.00 23.91 0 A 1 ATOM 293 C CD2 . LEU A 1 38 ? 12.689 34.977 23.706 1.00 23.94 0 A 1 ATOM 294 N N . PRO A 1 39 ? 9.712 36.475 26.798 1.00 35.87 0 A 1 ATOM 295 C CA . PRO A 1 39 ? 8.725 37.263 27.538 1.00 36.78 0 A 1 ATOM 296 C C . PRO A 1 39 ? 7.586 37.729 26.633 1.00 36.44 0 A 1 ATOM 297 O O . PRO A 1 39 ? 7.775 37.919 25.427 1.00 36.08 0 A 1 ATOM 298 C CB . PRO A 1 39 ? 9.543 38.443 28.038 1.00 37.04 0 A 1 ATOM 299 C CG . PRO A 1 39 ? 10.474 38.688 26.878 1.00 38.97 0 A 1 ATOM 300 C CD . PRO A 1 39 ? 10.924 37.282 26.516 1.00 37.83 0 A 1 ATOM 301 N N . GLY A 1 40 ? 6.407 37.889 27.216 1.00 38.08 0 A 1 ATOM 302 C CA . GLY A 1 40 ? 5.269 38.363 26.457 1.00 38.36 0 A 1 ATOM 303 C C . GLY A 1 40 ? 4.215 37.311 26.197 1.00 37.89 0 A 1 ATOM 304 O O . GLY A 1 40 ? 4.300 36.177 26.675 1.00 36.78 0 A 1 ATOM 305 N N . ARG A 1 41 ? 3.184 37.722 25.474 1.00 37.39 0 A 1 ATOM 306 C CA . ARG A 1 41 ? 2.092 36.841 25.122 1.00 38.10 0 A 1 ATOM 307 C C . ARG A 1 41 ? 2.452 36.169 23.811 1.00 34.43 0 A 1 ATOM 308 O O . ARG A 1 41 ? 3.182 36.735 23.000 1.00 30.09 0 A 1 ATOM 309 C CB . ARG A 1 41 ? 0.786 37.630 24.990 1.00 45.19 0 A 1 ATOM 310 C CG . ARG A 1 41 ? -0.074 37.621 26.255 1.00 56.77 0 A 1 ATOM 311 C CD . ARG A 1 41 ? -0.047 38.948 27.019 1.00 66.36 0 A 1 ATOM 312 N NE . ARG A 1 41 ? 1.248 39.264 27.631 1.00 74.47 0 A 1 ATOM 313 C CZ . ARG A 1 41 ? 1.557 39.060 28.913 1.00 76.20 0 A 1 ATOM 314 N NH1 . ARG A 1 41 ? 0.673 38.522 29.748 1.00 76.04 1 A 1 ATOM 315 N NH2 . ARG A 1 41 ? 2.764 39.394 29.361 1.00 76.78 0 A 1 ATOM 316 N N . TRP A 1 42 ? 1.952 34.956 23.622 1.00 32.38 0 A 1 ATOM 317 C CA . TRP A 1 42 ? 2.222 34.198 22.409 1.00 28.96 0 A 1 ATOM 318 C C . TRP A 1 42 ? 0.930 33.619 21.873 1.00 26.10 0 A 1 ATOM 319 O O . TRP A 1 42 ? -0.082 33.571 22.571 1.00 25.48 0 A 1 ATOM 320 C CB . TRP A 1 42 ? 3.232 33.072 22.687 1.00 30.49 0 A 1 ATOM 321 C CG . TRP A 1 42 ? 2.841 32.159 23.822 1.00 31.66 0 A 1 ATOM 322 C CD1 . TRP A 1 42 ? 3.195 32.285 25.137 1.00 33.28 0 A 1 ATOM 323 C CD2 . TRP A 1 42 ? 1.996 31.000 23.748 1.00 33.32 0 A 1 ATOM 324 C CE2 . TRP A 1 42 ? 1.880 30.479 25.054 1.00 34.15 0 A 1 ATOM 325 C CE3 . TRP A 1 42 ? 1.323 30.342 22.700 1.00 33.36 0 A 1 ATOM 326 N NE1 . TRP A 1 42 ? 2.620 31.281 25.880 1.00 32.84 0 A 1 ATOM 327 C CZ2 . TRP A 1 42 ? 1.117 29.346 25.346 1.00 34.34 0 A 1 ATOM 328 C CZ3 . TRP A 1 42 ? 0.566 29.214 22.993 1.00 34.07 0 A 1 ATOM 329 C CH2 . TRP A 1 42 ? 0.473 28.728 24.305 1.00 33.24 0 A 1 ATOM 330 N N . LYS A 1 43 ? 0.968 33.196 20.618 1.00 25.34 0 A 1 ATOM 331 C CA . LYS A 1 43 ? -0.186 32.592 19.970 1.00 26.34 0 A 1 ATOM 332 C C . LYS A 1 43 ? 0.205 31.237 19.397 1.00 25.48 0 A 1 ATOM 333 O O . LYS A 1 43 ? 1.330 31.058 18.931 1.00 19.64 0 A 1 ATOM 334 C CB . LYS A 1 43 ? -0.689 33.468 18.814 1.00 29.17 0 A 1 ATOM 335 C CG . LYS A 1 43 ? -1.462 34.725 19.210 1.00 37.85 0 A 1 ATOM 336 C CD . LYS A 1 43 ? -0.543 35.814 19.745 1.00 41.01 0 A 1 ATOM 337 C CE . LYS A 1 43 ? 0.469 36.238 18.686 1.00 41.65 0 A 1 ATOM 338 N NZ . LYS A 1 43 ? 1.769 36.573 19.314 1.00 30.17 1 A 1 ATOM 339 N N . PRO A 1 44 ? -0.693 30.240 19.481 1.00 26.29 0 A 1 ATOM 340 C CA . PRO A 1 44 ? -0.387 28.912 18.936 1.00 22.77 0 A 1 ATOM 341 C C . PRO A 1 44 ? -0.432 29.014 17.409 1.00 19.06 0 A 1 ATOM 342 O O . PRO A 1 44 ? -1.316 29.669 16.848 1.00 14.36 0 A 1 ATOM 343 C CB . PRO A 1 44 ? -1.546 28.055 19.449 1.00 23.88 0 A 1 ATOM 344 C CG . PRO A 1 44 ? -2.019 28.788 20.668 1.00 28.53 0 A 1 ATOM 345 C CD . PRO A 1 44 ? -1.971 30.210 20.215 1.00 27.15 0 A 1 ATOM 346 N N . LYS A 1 45 ? 0.505 28.358 16.746 1.00 16.68 0 A 1 ATOM 347 C CA . LYS A 1 45 ? 0.556 28.380 15.295 1.00 15.96 0 A 1 ATOM 348 C C . LYS A 1 45 ? 0.998 26.985 14.867 1.00 16.36 0 A 1 ATOM 349 O O . LYS A 1 45 ? 1.592 26.248 15.654 1.00 18.35 0 A 1 ATOM 350 C CB . LYS A 1 45 ? 1.567 29.444 14.849 1.00 16.65 0 A 1 ATOM 351 C CG . LYS A 1 45 ? 1.528 29.829 13.388 1.00 18.71 0 A 1 ATOM 352 C CD . LYS A 1 45 ? 2.576 30.894 13.122 1.00 21.55 0 A 1 ATOM 353 C CE . LYS A 1 45 ? 2.780 31.170 11.639 1.00 24.07 0 A 1 ATOM 354 N NZ . LYS A 1 45 ? 1.579 31.730 10.981 1.00 30.58 1 A 1 ATOM 355 N N . MET A 1 46 ? 0.682 26.617 13.637 1.00 16.34 0 A 1 ATOM 356 C CA . MET A 1 46 ? 1.049 25.314 13.107 1.00 17.15 0 A 1 ATOM 357 C C . MET A 1 46 ? 1.861 25.603 11.855 1.00 16.07 0 A 1 ATOM 358 O O . MET A 1 46 ? 1.363 26.265 10.948 1.00 17.77 0 A 1 ATOM 359 C CB . MET A 1 46 ? -0.219 24.546 12.729 1.00 18.86 0 A 1 ATOM 360 C CG . MET A 1 46 ? -0.103 23.045 12.820 1.00 27.65 0 A 1 ATOM 361 S SD . MET A 1 46 ? -0.089 22.458 14.511 1.00 27.69 0 A 1 ATOM 362 C CE . MET A 1 46 ? -1.807 22.462 14.856 1.00 29.37 0 A 1 ATOM 363 N N . ILE A 1 47 ? 3.118 25.164 11.821 1.00 15.05 0 A 1 ATOM 364 C CA . ILE A 1 47 ? 3.964 25.394 10.643 1.00 16.62 0 A 1 ATOM 365 C C . ILE A 1 47 ? 4.399 24.056 10.064 1.00 17.04 0 A 1 ATOM 366 O O . ILE A 1 47 ? 4.639 23.110 10.812 1.00 18.34 0 A 1 ATOM 367 C CB . ILE A 1 47 ? 5.199 26.242 10.956 1.00 16.59 0 A 1 ATOM 368 C CG1 . ILE A 1 47 ? 6.016 25.584 12.062 1.00 16.76 0 A 1 ATOM 369 C CG2 . ILE A 1 47 ? 4.785 27.649 11.327 1.00 16.06 0 A 1 ATOM 370 C CD1 . ILE A 1 47 ? 7.322 26.269 12.318 1.00 20.68 0 A 1 ATOM 371 N N . GLY A 1 48 ? 4.499 23.965 8.744 1.00 16.00 0 A 1 ATOM 372 C CA . GLY A 1 48 ? 4.874 22.699 8.153 1.00 19.19 0 A 1 ATOM 373 C C . GLY A 1 48 ? 5.976 22.744 7.140 1.00 19.99 0 A 1 ATOM 374 O O . GLY A 1 48 ? 6.266 23.788 6.563 1.00 18.47 0 A 1 ATOM 375 N N . GLY A 1 49 ? 6.590 21.591 6.922 1.00 22.51 0 A 1 ATOM 376 C CA . GLY A 1 49 ? 7.663 21.486 5.957 1.00 24.01 0 A 1 ATOM 377 C C . GLY A 1 49 ? 7.865 20.033 5.605 1.00 23.19 0 A 1 ATOM 378 O O . GLY A 1 49 ? 6.902 19.274 5.504 1.00 21.96 0 A 1 ATOM 379 N N . ILE A 1 50 ? 9.120 19.661 5.394 1.00 22.41 0 A 1 ATOM 380 C CA . ILE A 1 50 ? 9.481 18.286 5.092 1.00 24.83 0 A 1 ATOM 381 C C . ILE A 1 50 ? 9.192 17.476 6.344 1.00 24.59 0 A 1 ATOM 382 O O . ILE A 1 50 ? 9.684 17.803 7.438 1.00 27.68 0 A 1 ATOM 383 C CB . ILE A 1 50 ? 10.977 18.184 4.785 1.00 26.22 0 A 1 ATOM 384 C CG1 . ILE A 1 50 ? 11.286 19.012 3.537 1.00 28.02 0 A 1 ATOM 385 C CG2 . ILE A 1 50 ? 11.415 16.731 4.674 1.00 23.39 0 A 1 ATOM 386 C CD1 . ILE A 1 50 ? 10.643 18.486 2.290 1.00 30.81 0 A 1 ATOM 387 N N . GLY A 1 51 ? 8.361 16.457 6.205 1.00 23.22 0 A 1 ATOM 388 C CA . GLY A 1 51 ? 8.032 15.628 7.345 1.00 23.45 0 A 1 ATOM 389 C C . GLY A 1 51 ? 6.703 15.952 7.992 1.00 23.25 0 A 1 ATOM 390 O O . GLY A 1 51 ? 6.258 15.205 8.856 1.00 26.85 0 A 1 ATOM 391 N N . GLY A 1 52 ? 6.069 17.050 7.593 1.00 20.71 0 A 1 ATOM 392 C CA . GLY A 1 52 ? 4.788 17.410 8.166 1.00 18.44 0 A 1 ATOM 393 C C . GLY A 1 52 ? 4.794 18.691 8.974 1.00 17.98 0 A 1 ATOM 394 O O . GLY A 1 52 ? 5.739 19.484 8.898 1.00 17.53 0 A 1 ATOM 395 N N . PHE A 1 53 ? 3.759 18.856 9.790 1.00 16.76 0 A 1 ATOM 396 C CA . PHE A 1 53 ? 3.568 20.042 10.610 1.00 16.71 0 A 1 ATOM 397 C C . PHE A 1 53 ? 3.922 19.895 12.082 1.00 18.84 0 A 1 ATOM 398 O O . PHE A 1 53 ? 3.807 18.807 12.646 1.00 20.06 0 A 1 ATOM 399 C CB . PHE A 1 53 ? 2.112 20.502 10.503 1.00 15.17 0 A 1 ATOM 400 C CG . PHE A 1 53 ? 1.781 21.189 9.212 1.00 16.11 0 A 1 ATOM 401 C CD1 . PHE A 1 53 ? 1.687 20.475 8.023 1.00 16.30 0 A 1 ATOM 402 C CD2 . PHE A 1 53 ? 1.562 22.559 9.186 1.00 16.26 0 A 1 ATOM 403 C CE1 . PHE A 1 53 ? 1.388 21.126 6.823 1.00 19.09 0 A 1 ATOM 404 C CE2 . PHE A 1 53 ? 1.261 23.216 7.999 1.00 18.61 0 A 1 ATOM 405 C CZ . PHE A 1 53 ? 1.172 22.500 6.811 1.00 15.89 0 A 1 ATOM 406 N N . ILE A 1 54 ? 4.354 21.004 12.688 1.00 16.69 0 A 1 ATOM 407 C CA . ILE A 1 54 ? 4.690 21.061 14.111 1.00 15.73 0 A 1 ATOM 408 C C . ILE A 1 54 ? 3.963 22.257 14.724 1.00 15.84 0 A 1 ATOM 409 O O . ILE A 1 54 ? 3.663 23.235 14.038 1.00 12.33 0 A 1 ATOM 410 C CB . ILE A 1 54 ? 6.209 21.192 14.390 1.00 16.82 0 A 1 ATOM 411 C CG1 . ILE A 1 54 ? 6.808 22.455 13.764 1.00 16.06 0 A 1 ATOM 412 C CG2 . ILE A 1 54 ? 6.946 19.930 13.919 1.00 19.26 0 A 1 ATOM 413 C CD1 . ILE A 1 54 ? 8.176 22.825 14.317 1.00 14.10 0 A 1 ATOM 414 N N . LYS A 1 55 ? 3.662 22.159 16.012 1.00 15.42 0 A 1 ATOM 415 C CA . LYS A 1 55 ? 2.973 23.222 16.729 1.00 18.13 0 A 1 ATOM 416 C C . LYS A 1 55 ? 4.035 24.097 17.384 1.00 17.89 0 A 1 ATOM 417 O O . LYS A 1 55 ? 4.956 23.589 18.037 1.00 18.13 0 A 1 ATOM 418 C CB . LYS A 1 55 ? 2.047 22.622 17.791 1.00 19.52 0 A 1 ATOM 419 C CG . LYS A 1 55 ? 0.881 23.512 18.196 1.00 26.76 0 A 1 ATOM 420 C CD . LYS A 1 55 ? 0.865 23.773 19.702 1.00 34.90 0 A 1 ATOM 421 C CE . LYS A 1 55 ? 1.266 25.217 20.020 1.00 38.08 0 A 1 ATOM 422 N NZ . LYS A 1 55 ? 1.839 25.396 21.389 1.00 39.50 1 A 1 ATOM 423 N N . VAL A 1 56 ? 3.911 25.406 17.200 1.00 16.71 0 A 1 ATOM 424 C CA . VAL A 1 56 ? 4.863 26.358 17.764 1.00 15.97 0 A 1 ATOM 425 C C . VAL A 1 56 ? 4.145 27.485 18.504 1.00 17.27 0 A 1 ATOM 426 O O . VAL A 1 56 ? 2.932 27.655 18.379 1.00 19.94 0 A 1 ATOM 427 C CB . VAL A 1 56 ? 5.745 27.000 16.669 1.00 13.01 0 A 1 ATOM 428 C CG1 . VAL A 1 56 ? 6.653 25.961 16.029 1.00 11.89 0 A 1 ATOM 429 C CG2 . VAL A 1 56 ? 4.882 27.674 15.617 1.00 12.97 0 A 1 ATOM 430 N N . ARG A 1 57 ? 4.902 28.239 19.291 1.00 18.69 0 A 1 ATOM 431 C CA . ARG A 1 57 ? 4.365 29.383 20.020 1.00 19.42 0 A 1 ATOM 432 C C . ARG A 1 57 ? 4.885 30.610 19.275 1.00 18.06 0 A 1 ATOM 433 O O . ARG A 1 57 ? 6.084 30.753 19.062 1.00 19.76 0 A 1 ATOM 434 C CB . ARG A 1 57 ? 4.856 29.377 21.464 1.00 21.44 0 A 1 ATOM 435 C CG . ARG A 1 57 ? 4.212 28.306 22.331 1.00 26.60 0 A 1 ATOM 436 C CD . ARG A 1 57 ? 4.821 28.318 23.710 1.00 31.35 0 A 1 ATOM 437 N NE . ARG A 1 57 ? 6.213 27.879 23.674 1.00 41.51 0 A 1 ATOM 438 C CZ . ARG A 1 57 ? 7.173 28.343 24.472 1.00 45.66 0 A 1 ATOM 439 N NH1 . ARG A 1 57 ? 6.909 29.282 25.370 1.00 48.89 1 A 1 ATOM 440 N NH2 . ARG A 1 57 ? 8.408 27.869 24.368 1.00 49.95 0 A 1 ATOM 441 N N . GLN A 1 58 ? 3.971 31.470 18.846 1.00 18.14 0 A 1 ATOM 442 C CA . GLN A 1 58 ? 4.319 32.668 18.089 1.00 17.80 0 A 1 ATOM 443 C C . GLN A 1 58 ? 4.505 33.905 18.960 1.00 18.38 0 A 1 ATOM 444 O O . GLN A 1 58 ? 3.558 34.355 19.610 1.00 17.97 0 A 1 ATOM 445 C CB . GLN A 1 58 ? 3.235 32.928 17.037 1.00 17.87 0 A 1 ATOM 446 C CG . GLN A 1 58 ? 3.357 34.235 16.268 1.00 19.65 0 A 1 ATOM 447 C CD . GLN A 1 58 ? 2.119 34.531 15.439 1.00 27.56 0 A 1 ATOM 448 N NE2 . GLN A 1 58 ? 1.004 33.888 15.769 1.00 31.19 0 A 1 ATOM 449 O OE1 . GLN A 1 58 ? 2.164 35.336 14.518 1.00 36.68 0 A 1 ATOM 450 N N . TYR A 1 59 ? 5.727 34.440 18.977 1.00 18.87 0 A 1 ATOM 451 C CA . TYR A 1 59 ? 6.055 35.660 19.731 1.00 21.47 0 A 1 ATOM 452 C C . TYR A 1 59 ? 6.310 36.779 18.714 1.00 21.70 0 A 1 ATOM 453 O O . TYR A 1 59 ? 7.082 36.604 17.770 1.00 20.21 0 A 1 ATOM 454 C CB . TYR A 1 59 ? 7.309 35.457 20.593 1.00 21.18 0 A 1 ATOM 455 C CG . TYR A 1 59 ? 7.111 34.539 21.775 1.00 23.20 0 A 1 ATOM 456 C CD1 . TYR A 1 59 ? 6.648 35.045 22.997 1.00 21.17 0 A 1 ATOM 457 C CD2 . TYR A 1 59 ? 7.436 33.178 21.687 1.00 21.34 0 A 1 ATOM 458 C CE1 . TYR A 1 59 ? 6.499 34.220 24.103 1.00 22.46 0 A 1 ATOM 459 C CE2 . TYR A 1 59 ? 7.295 32.331 22.782 1.00 21.61 0 A 1 ATOM 460 C CZ . TYR A 1 59 ? 6.832 32.860 23.997 1.00 24.31 0 A 1 ATOM 461 O OH . TYR A 1 59 ? 6.680 32.043 25.087 1.00 28.71 0 A 1 ATOM 462 N N . ASP A 1 60 ? 5.649 37.918 18.882 1.00 23.32 0 A 1 ATOM 463 C CA . ASP A 1 60 ? 5.831 39.030 17.953 1.00 24.71 0 A 1 ATOM 464 C C . ASP A 1 60 ? 6.805 40.070 18.504 1.00 24.95 0 A 1 ATOM 465 O O . ASP A 1 60 ? 7.086 40.110 19.701 1.00 23.63 0 A 1 ATOM 466 C CB . ASP A 1 60 ? 4.484 39.699 17.633 1.00 25.73 0 A 1 ATOM 467 C CG . ASP A 1 60 ? 3.530 38.794 16.868 1.00 29.20 0 A 1 ATOM 468 O OD1 . ASP A 1 60 ? 3.968 38.092 15.932 1.00 32.66 0 A 1 ATOM 469 O OD2 . ASP A 1 60 ? 2.324 38.805 17.189 1.00 30.32 -1 A 1 ATOM 470 N N . GLN A 1 61 ? 7.363 40.860 17.600 1.00 27.19 0 A 1 ATOM 471 C CA . GLN A 1 61 ? 8.289 41.935 17.934 1.00 29.19 0 A 1 ATOM 472 C C . GLN A 1 61 ? 9.386 41.578 18.925 1.00 27.95 0 A 1 ATOM 473 O O . GLN A 1 61 ? 9.540 42.199 19.979 1.00 28.91 0 A 1 ATOM 474 C CB . GLN A 1 61 ? 7.512 43.177 18.378 1.00 34.05 0 A 1 ATOM 475 C CG . GLN A 1 61 ? 6.490 43.600 17.334 1.00 45.55 0 A 1 ATOM 476 C CD . GLN A 1 61 ? 5.839 44.941 17.615 1.00 51.31 0 A 1 ATOM 477 N NE2 . GLN A 1 61 ? 5.371 45.144 18.844 1.00 54.08 0 A 1 ATOM 478 O OE1 . GLN A 1 61 ? 5.730 45.774 16.718 1.00 56.64 0 A 1 ATOM 479 N N . ILE A 1 62 ? 10.183 40.591 18.540 1.00 27.12 0 A 1 ATOM 480 C CA . ILE A 1 62 ? 11.302 40.121 19.337 1.00 23.76 0 A 1 ATOM 481 C C . ILE A 1 62 ? 12.560 40.666 18.648 1.00 23.86 0 A 1 ATOM 482 O O . ILE A 1 62 ? 12.636 40.692 17.417 1.00 23.97 0 A 1 ATOM 483 C CB . ILE A 1 62 ? 11.343 38.582 19.344 1.00 23.51 0 A 1 ATOM 484 C CG1 . ILE A 1 62 ? 10.006 38.008 19.846 1.00 18.64 0 A 1 ATOM 485 C CG2 . ILE A 1 62 ? 12.517 38.079 20.178 1.00 24.91 0 A 1 ATOM 486 C CD1 . ILE A 1 62 ? 9.728 38.220 21.324 1.00 19.03 0 A 1 ATOM 487 N N . LEU A 1 63 ? 13.518 41.146 19.430 1.00 22.08 0 A 1 ATOM 488 C CA . LEU A 1 63 ? 14.754 41.676 18.872 1.00 24.68 0 A 1 ATOM 489 C C . LEU A 1 63 ? 15.817 40.579 18.848 1.00 25.09 0 A 1 ATOM 490 O O . LEU A 1 63 ? 15.995 39.863 19.835 1.00 26.79 0 A 1 ATOM 491 C CB . LEU A 1 63 ? 15.235 42.881 19.699 1.00 27.43 0 A 1 ATOM 492 C CG . LEU A 1 63 ? 16.575 43.583 19.380 1.00 30.00 0 A 1 ATOM 493 C CD1 . LEU A 1 63 ? 17.759 42.825 19.972 1.00 33.84 0 A 1 ATOM 494 C CD2 . LEU A 1 63 ? 16.746 43.800 17.887 1.00 29.10 0 A 1 ATOM 495 N N . ILE A 1 64 ? 16.520 40.453 17.727 1.00 25.75 0 A 1 ATOM 496 C CA . ILE A 1 64 ? 17.583 39.459 17.575 1.00 28.20 0 A 1 ATOM 497 C C . ILE A 1 64 ? 18.806 40.124 16.949 1.00 27.59 0 A 1 ATOM 498 O O . ILE A 1 64 ? 18.673 41.029 16.130 1.00 27.65 0 A 1 ATOM 499 C CB . ILE A 1 64 ? 17.158 38.291 16.661 1.00 29.85 0 A 1 ATOM 500 C CG1 . ILE A 1 64 ? 15.951 37.551 17.235 1.00 31.65 0 A 1 ATOM 501 C CG2 . ILE A 1 64 ? 18.314 37.298 16.502 1.00 31.24 0 A 1 ATOM 502 C CD1 . ILE A 1 64 ? 15.657 36.243 16.522 1.00 36.81 0 A 1 ATOM 503 N N . GLU A 1 65 ? 19.993 39.708 17.367 1.00 29.25 0 A 1 ATOM 504 C CA . GLU A 1 65 ? 21.215 40.246 16.799 1.00 34.69 0 A 1 ATOM 505 C C . GLU A 1 65 ? 21.890 39.167 15.965 1.00 34.35 0 A 1 ATOM 506 O O . GLU A 1 65 ? 22.349 38.163 16.503 1.00 36.00 0 A 1 ATOM 507 C CB . GLU A 1 65 ? 22.166 40.737 17.887 1.00 37.20 0 A 1 ATOM 508 C CG . GLU A 1 65 ? 21.718 42.008 18.583 1.00 44.82 0 A 1 ATOM 509 C CD . GLU A 1 65 ? 22.860 42.682 19.320 1.00 49.73 0 A 1 ATOM 510 O OE1 . GLU A 1 65 ? 23.805 43.153 18.643 1.00 52.12 0 A 1 ATOM 511 O OE2 . GLU A 1 65 ? 22.806 42.747 20.567 1.00 50.65 -1 A 1 ATOM 512 N N . ILE A 1 66 ? 21.901 39.358 14.650 1.00 34.69 0 A 1 ATOM 513 C CA . ILE A 1 66 ? 22.511 38.416 13.717 1.00 35.99 0 A 1 ATOM 514 C C . ILE A 1 66 ? 23.810 39.057 13.252 1.00 38.25 0 A 1 ATOM 515 O O . ILE A 1 66 ? 23.799 39.980 12.432 1.00 37.10 0 A 1 ATOM 516 C CB . ILE A 1 66 ? 21.609 38.185 12.503 1.00 35.57 0 A 1 ATOM 517 C CG1 . ILE A 1 66 ? 20.214 37.802 12.993 1.00 33.56 0 A 1 ATOM 518 C CG2 . ILE A 1 66 ? 22.182 37.084 11.612 1.00 37.00 0 A 1 ATOM 519 C CD1 . ILE A 1 66 ? 19.151 37.878 11.927 1.00 36.36 0 A 1 ATOM 520 N N . CYS A 1 67 ? 24.925 38.587 13.800 1.00 43.97 0 A 1 ATOM 521 C CA . CYS A 1 67 ? 26.244 39.122 13.465 1.00 51.39 0 A 1 ATOM 522 C C . CYS A 1 67 ? 26.288 40.645 13.682 1.00 53.48 0 A 1 ATOM 523 O O . CYS A 1 67 ? 26.587 41.414 12.762 1.00 56.08 0 A 1 ATOM 524 C CB . CYS A 1 67 ? 26.622 38.763 12.019 1.00 54.67 0 A 1 ATOM 525 S SG . CYS A 1 67 ? 27.050 37.016 11.761 1.00 64.97 0 A 1 ATOM 526 N N . GLY A 1 68 ? 25.916 41.075 14.885 1.00 52.41 0 A 1 ATOM 527 C CA . GLY A 1 68 ? 25.925 42.494 15.198 1.00 49.81 0 A 1 ATOM 528 C C . GLY A 1 68 ? 24.680 43.224 14.724 1.00 48.12 0 A 1 ATOM 529 O O . GLY A 1 68 ? 24.142 44.060 15.450 1.00 50.31 0 A 1 ATOM 530 N N . HIS A 1 69 ? 24.213 42.893 13.523 1.00 44.37 0 A 1 ATOM 531 C CA . HIS A 1 69 ? 23.028 43.521 12.950 1.00 41.42 0 A 1 ATOM 532 C C . HIS A 1 69 ? 21.802 43.213 13.800 1.00 39.99 0 A 1 ATOM 533 O O . HIS A 1 69 ? 21.519 42.052 14.095 1.00 37.89 0 A 1 ATOM 534 C CB . HIS A 1 69 ? 22.769 43.007 11.528 1.00 42.76 0 A 1 ATOM 535 C CG . HIS A 1 69 ? 23.915 43.199 10.584 1.00 43.01 0 A 1 ATOM 536 C CD2 . HIS A 1 69 ? 24.071 44.039 9.531 1.00 43.81 0 A 1 ATOM 537 N ND1 . HIS A 1 69 ? 25.077 42.462 10.658 1.00 41.23 0 A 1 ATOM 538 C CE1 . HIS A 1 69 ? 25.901 42.838 9.698 1.00 42.53 0 A 1 ATOM 539 N NE2 . HIS A 1 69 ? 25.314 43.794 9.000 1.00 45.70 0 A 1 ATOM 540 N N . LYS A 1 70 ? 21.084 44.253 14.202 1.00 39.50 0 A 1 ATOM 541 C CA . LYS A 1 70 ? 19.878 44.071 14.994 1.00 37.92 0 A 1 ATOM 542 C C . LYS A 1 70 ? 18.698 43.929 14.040 1.00 34.08 0 A 1 ATOM 543 O O . LYS A 1 70 ? 18.677 44.529 12.964 1.00 33.11 0 A 1 ATOM 544 C CB . LYS A 1 70 ? 19.651 45.251 15.935 1.00 39.86 0 A 1 ATOM 545 C CG . LYS A 1 70 ? 20.768 45.472 16.927 1.00 46.73 0 A 1 ATOM 546 C CD . LYS A 1 70 ? 20.295 46.352 18.071 1.00 55.16 0 A 1 ATOM 547 C CE . LYS A 1 70 ? 21.395 46.591 19.097 1.00 59.63 0 A 1 ATOM 548 N NZ . LYS A 1 70 ? 20.821 47.085 20.385 1.00 66.55 1 A 1 ATOM 549 N N . ALA A 1 71 ? 17.725 43.122 14.433 1.00 30.93 0 A 1 ATOM 550 C CA . ALA A 1 71 ? 16.539 42.895 13.622 1.00 29.79 0 A 1 ATOM 551 C C . ALA A 1 71 ? 15.387 42.651 14.577 1.00 27.73 0 A 1 ATOM 552 O O . ALA A 1 71 ? 15.581 42.100 15.663 1.00 29.75 0 A 1 ATOM 553 C CB . ALA A 1 71 ? 16.742 41.692 12.705 1.00 31.66 0 A 1 ATOM 554 N N . ILE A 1 72 ? 14.197 43.088 14.195 1.00 24.71 0 A 1 ATOM 555 C CA . ILE A 1 72 ? 13.020 42.914 15.038 1.00 21.60 0 A 1 ATOM 556 C C . ILE A 1 72 ? 11.987 42.173 14.223 1.00 16.88 0 A 1 ATOM 557 O O . ILE A 1 72 ? 11.827 42.445 13.034 1.00 17.60 0 A 1 ATOM 558 C CB . ILE A 1 72 ? 12.450 44.271 15.494 1.00 27.37 0 A 1 ATOM 559 C CG1 . ILE A 1 72 ? 13.499 44.995 16.350 1.00 30.81 0 A 1 ATOM 560 C CG2 . ILE A 1 72 ? 11.172 44.075 16.314 1.00 24.09 0 A 1 ATOM 561 C CD1 . ILE A 1 72 ? 13.162 46.439 16.647 1.00 37.03 0 A 1 ATOM 562 N N . GLY A 1 73 ? 11.312 41.212 14.841 1.00 14.91 0 A 1 ATOM 563 C CA . GLY A 1 73 ? 10.299 40.480 14.120 1.00 13.66 0 A 1 ATOM 564 C C . GLY A 1 73 ? 9.653 39.380 14.914 1.00 12.61 0 A 1 ATOM 565 O O . GLY A 1 73 ? 9.876 39.237 16.115 1.00 12.83 0 A 1 ATOM 566 N N . THR A 1 74 ? 8.849 38.592 14.219 1.00 14.64 0 A 1 ATOM 567 C CA . THR A 1 74 ? 8.141 37.473 14.823 1.00 16.81 0 A 1 ATOM 568 C C . THR A 1 74 ? 9.058 36.256 14.869 1.00 16.82 0 A 1 ATOM 569 O O . THR A 1 74 ? 9.755 35.968 13.895 1.00 17.99 0 A 1 ATOM 570 C CB . THR A 1 74 ? 6.906 37.122 13.984 1.00 21.38 0 A 1 ATOM 571 C CG2 . THR A 1 74 ? 6.167 35.927 14.565 1.00 20.80 0 A 1 ATOM 572 O OG1 . THR A 1 74 ? 6.025 38.253 13.919 1.00 25.84 0 A 1 ATOM 573 N N . VAL A 1 75 ? 9.124 35.593 16.018 1.00 16.63 0 A 1 ATOM 574 C CA . VAL A 1 75 ? 9.931 34.382 16.150 1.00 17.56 0 A 1 ATOM 575 C C . VAL A 1 75 ? 9.031 33.302 16.730 1.00 17.60 0 A 1 ATOM 576 O O . VAL A 1 75 ? 8.226 33.559 17.636 1.00 19.30 0 A 1 ATOM 577 C CB . VAL A 1 75 ? 11.190 34.569 17.020 1.00 15.62 0 A 1 ATOM 578 C CG1 . VAL A 1 75 ? 11.973 35.797 16.570 1.00 15.39 0 A 1 ATOM 579 C CG2 . VAL A 1 75 ? 10.839 34.631 18.479 1.00 19.95 0 A 1 ATOM 580 N N . LEU A 1 76 ? 9.094 32.122 16.127 1.00 16.61 0 A 1 ATOM 581 C CA . LEU A 1 76 ? 8.293 30.988 16.557 1.00 13.23 0 A 1 ATOM 582 C C . LEU A 1 76 ? 9.205 30.117 17.393 1.00 13.74 0 A 1 ATOM 583 O O . LEU A 1 76 ? 10.375 29.944 17.047 1.00 13.81 0 A 1 ATOM 584 C CB . LEU A 1 76 ? 7.799 30.207 15.339 1.00 10.67 0 A 1 ATOM 585 C CG . LEU A 1 76 ? 7.138 31.063 14.256 1.00 10.56 0 A 1 ATOM 586 C CD1 . LEU A 1 76 ? 6.765 30.178 13.089 1.00 10.44 0 A 1 ATOM 587 C CD2 . LEU A 1 76 ? 5.919 31.794 14.790 1.00 9.92 0 A 1 ATOM 588 N N . VAL A 1 77 ? 8.693 29.627 18.518 1.00 15.13 0 A 1 ATOM 589 C CA . VAL A 1 77 ? 9.461 28.761 19.417 1.00 16.28 0 A 1 ATOM 590 C C . VAL A 1 77 ? 8.788 27.379 19.479 1.00 16.85 0 A 1 ATOM 591 O O . VAL A 1 77 ? 7.579 27.270 19.721 1.00 14.47 0 A 1 ATOM 592 C CB . VAL A 1 77 ? 9.582 29.372 20.828 1.00 13.69 0 A 1 ATOM 593 C CG1 . VAL A 1 77 ? 10.241 28.389 21.783 1.00 14.92 0 A 1 ATOM 594 C CG2 . VAL A 1 77 ? 10.393 30.655 20.766 1.00 14.35 0 A 1 ATOM 595 N N . GLY A 1 78 ? 9.567 26.331 19.215 1.00 19.14 0 A 1 ATOM 596 C CA . GLY A 1 78 ? 9.025 24.987 19.235 1.00 17.70 0 A 1 ATOM 597 C C . GLY A 1 78 ? 10.040 23.873 19.046 1.00 17.48 0 A 1 ATOM 598 O O . GLY A 1 78 ? 11.263 24.106 19.106 1.00 15.43 0 A 1 ATOM 599 N N . PRO A 1 79 ? 9.557 22.641 18.808 1.00 19.33 0 A 1 ATOM 600 C CA . PRO A 1 79 ? 10.382 21.442 18.605 1.00 20.85 0 A 1 ATOM 601 C C . PRO A 1 79 ? 11.112 21.351 17.269 1.00 20.43 0 A 1 ATOM 602 O O . PRO A 1 79 ? 10.938 20.390 16.522 1.00 23.03 0 A 1 ATOM 603 C CB . PRO A 1 79 ? 9.375 20.306 18.775 1.00 23.41 0 A 1 ATOM 604 C CG . PRO A 1 79 ? 8.117 20.902 18.213 1.00 22.47 0 A 1 ATOM 605 C CD . PRO A 1 79 ? 8.124 22.287 18.827 1.00 19.04 0 A 1 ATOM 606 N N . THR A 1 80 ? 11.941 22.346 16.970 1.00 21.20 0 A 1 ATOM 607 C CA . THR A 1 80 ? 12.712 22.337 15.736 1.00 19.58 0 A 1 ATOM 608 C C . THR A 1 80 ? 14.085 21.729 16.061 1.00 20.36 0 A 1 ATOM 609 O O . THR A 1 80 ? 14.596 21.887 17.178 1.00 21.63 0 A 1 ATOM 610 C CB . THR A 1 80 ? 12.871 23.755 15.147 1.00 17.87 0 A 1 ATOM 611 C CG2 . THR A 1 80 ? 13.594 24.672 16.116 1.00 11.66 0 A 1 ATOM 612 O OG1 . THR A 1 80 ? 13.614 23.684 13.918 1.00 17.23 0 A 1 ATOM 613 N N . PRO A 1 81 ? 14.648 20.933 15.133 1.00 21.01 0 A 1 ATOM 614 C CA . PRO A 1 81 ? 15.958 20.309 15.355 1.00 21.20 0 A 1 ATOM 615 C C . PRO A 1 81 ? 17.129 21.283 15.177 1.00 22.52 0 A 1 ATOM 616 O O . PRO A 1 81 ? 18.249 21.007 15.614 1.00 21.99 0 A 1 ATOM 617 C CB . PRO A 1 81 ? 15.986 19.198 14.302 1.00 20.69 0 A 1 ATOM 618 C CG . PRO A 1 81 ? 15.181 19.768 13.185 1.00 18.86 0 A 1 ATOM 619 C CD . PRO A 1 81 ? 14.009 20.381 13.921 1.00 21.31 0 A 1 ATOM 620 N N . VAL A 1 82 ? 16.867 22.405 14.515 1.00 19.64 0 A 1 ATOM 621 C CA . VAL A 1 82 ? 17.884 23.425 14.255 1.00 19.58 0 A 1 ATOM 622 C C . VAL A 1 82 ? 17.207 24.785 14.401 1.00 18.77 0 A 1 ATOM 623 O O . VAL A 1 82 ? 16.007 24.918 14.129 1.00 16.69 0 A 1 ATOM 624 C CB . VAL A 1 82 ? 18.430 23.320 12.810 1.00 21.77 0 A 1 ATOM 625 C CG1 . VAL A 1 82 ? 19.602 24.256 12.608 1.00 21.02 0 A 1 ATOM 626 C CG2 . VAL A 1 82 ? 18.857 21.901 12.480 1.00 26.07 0 A 1 ATOM 627 N N . ASN A 1 83 ? 17.955 25.775 14.878 1.00 16.20 0 A 1 ATOM 628 C CA . ASN A 1 83 ? 17.433 27.131 14.997 1.00 14.19 0 A 1 ATOM 629 C C . ASN A 1 83 ? 17.467 27.676 13.579 1.00 13.07 0 A 1 ATOM 630 O O . ASN A 1 83 ? 18.507 27.642 12.926 1.00 15.04 0 A 1 ATOM 631 C CB . ASN A 1 83 ? 18.323 27.984 15.895 1.00 16.25 0 A 1 ATOM 632 C CG . ASN A 1 83 ? 18.246 27.579 17.352 1.00 17.62 0 A 1 ATOM 633 N ND2 . ASN A 1 83 ? 19.398 27.461 17.990 1.00 20.27 0 A 1 ATOM 634 O OD1 . ASN A 1 83 ? 17.168 27.381 17.898 1.00 18.85 0 A 1 ATOM 635 N N . ILE A 1 84 ? 16.338 28.181 13.106 1.00 14.18 0 A 1 ATOM 636 C CA . ILE A 1 84 ? 16.227 28.691 11.742 1.00 14.22 0 A 1 ATOM 637 C C . ILE A 1 84 ? 15.956 30.205 11.686 1.00 13.11 0 A 1 ATOM 638 O O . ILE A 1 84 ? 15.053 30.703 12.361 1.00 15.06 0 A 1 ATOM 639 C CB . ILE A 1 84 ? 15.062 27.969 11.004 1.00 15.01 0 A 1 ATOM 640 C CG1 . ILE A 1 84 ? 15.244 26.445 10.970 1.00 15.00 0 A 1 ATOM 641 C CG2 . ILE A 1 84 ? 14.908 28.487 9.583 1.00 8.80 0 A 1 ATOM 642 C CD1 . ILE A 1 84 ? 16.369 25.987 10.071 1.00 17.70 0 A 1 ATOM 643 N N . ILE A 1 85 ? 16.752 30.935 10.910 1.00 14.70 0 A 1 ATOM 644 C CA . ILE A 1 85 ? 16.540 32.371 10.723 1.00 12.88 0 A 1 ATOM 645 C C . ILE A 1 85 ? 15.923 32.458 9.324 1.00 9.12 0 A 1 ATOM 646 O O . ILE A 1 85 ? 16.603 32.218 8.323 1.00 8.94 0 A 1 ATOM 647 C CB . ILE A 1 85 ? 17.853 33.192 10.757 1.00 13.61 0 A 1 ATOM 648 C CG1 . ILE A 1 85 ? 18.573 33.097 12.112 1.00 12.76 0 A 1 ATOM 649 C CG2 . ILE A 1 85 ? 17.565 34.651 10.440 1.00 11.62 0 A 1 ATOM 650 C CD1 . ILE A 1 85 ? 17.754 33.546 13.304 1.00 14.56 0 A 1 ATOM 651 N N . GLY A 1 86 ? 14.629 32.759 9.270 1.00 7.39 0 A 1 ATOM 652 C CA . GLY A 1 86 ? 13.927 32.831 8.005 1.00 8.96 0 A 1 ATOM 653 C C . GLY A 1 86 ? 13.942 34.180 7.322 1.00 10.58 0 A 1 ATOM 654 O O . GLY A 1 86 ? 14.550 35.135 7.813 1.00 10.37 0 A 1 ATOM 655 N N . ARG A 1 87 ? 13.215 34.259 6.210 1.00 11.06 0 A 1 ATOM 656 C CA . ARG A 1 87 ? 13.121 35.467 5.390 1.00 11.25 0 A 1 ATOM 657 C C . ARG A 1 87 ? 12.617 36.715 6.108 1.00 11.92 0 A 1 ATOM 658 O O . ARG A 1 87 ? 13.033 37.822 5.775 1.00 14.09 0 A 1 ATOM 659 C CB . ARG A 1 87 ? 12.282 35.217 4.140 1.00 6.04 0 A 1 ATOM 660 C CG . ARG A 1 87 ? 12.928 34.327 3.098 1.00 5.56 0 A 1 ATOM 661 C CD . ARG A 1 87 ? 12.163 34.359 1.787 1.00 4.27 0 A 1 ATOM 662 N NE . ARG A 1 87 ? 10.762 33.969 1.951 1.00 8.55 0 A 1 ATOM 663 C CZ . ARG A 1 87 ? 9.734 34.817 1.925 1.00 11.41 0 A 1 ATOM 664 N NH1 . ARG A 1 87 ? 9.940 36.115 1.736 1.00 11.17 1 A 1 ATOM 665 N NH2 . ARG A 1 87 ? 8.491 34.374 2.085 1.00 11.38 0 A 1 ATOM 666 N N . ASN A 1 88 ? 11.758 36.544 7.104 1.00 11.52 0 A 1 ATOM 667 C CA . ASN A 1 88 ? 11.247 37.690 7.838 1.00 13.89 0 A 1 ATOM 668 C C . ASN A 1 88 ? 12.366 38.505 8.509 1.00 15.39 0 A 1 ATOM 669 O O . ASN A 1 88 ? 12.289 39.733 8.547 1.00 15.34 0 A 1 ATOM 670 C CB . ASN A 1 88 ? 10.166 37.274 8.839 1.00 12.64 0 A 1 ATOM 671 C CG . ASN A 1 88 ? 10.717 36.478 9.999 1.00 13.29 0 A 1 ATOM 672 N ND2 . ASN A 1 88 ? 10.453 36.942 11.223 1.00 12.97 0 A 1 ATOM 673 O OD1 . ASN A 1 88 ? 11.375 35.464 9.809 1.00 15.85 0 A 1 ATOM 674 N N . LEU A 1 89 ? 13.427 37.855 8.981 1.00 12.77 0 A 1 ATOM 675 C CA . LEU A 1 89 ? 14.529 38.576 9.605 1.00 12.71 0 A 1 ATOM 676 C C . LEU A 1 89 ? 15.705 38.780 8.656 1.00 14.27 0 A 1 ATOM 677 O O . LEU A 1 89 ? 16.462 39.744 8.802 1.00 13.10 0 A 1 ATOM 678 C CB . LEU A 1 89 ? 15.004 37.884 10.878 1.00 11.79 0 A 1 ATOM 679 C CG . LEU A 1 89 ? 13.978 37.863 12.013 1.00 14.25 0 A 1 ATOM 680 C CD1 . LEU A 1 89 ? 14.634 37.253 13.237 1.00 15.45 0 A 1 ATOM 681 C CD2 . LEU A 1 89 ? 13.492 39.270 12.327 1.00 15.68 0 A 1 ATOM 682 N N . LEU A 1 90 ? 15.864 37.880 7.689 1.00 12.62 0 A 1 ATOM 683 C CA . LEU A 1 90 ? 16.948 37.991 6.720 1.00 12.02 0 A 1 ATOM 684 C C . LEU A 1 90 ? 16.876 39.309 5.942 1.00 12.01 0 A 1 ATOM 685 O O . LEU A 1 90 ? 17.901 39.944 5.692 1.00 10.93 0 A 1 ATOM 686 C CB . LEU A 1 90 ? 16.938 36.812 5.747 1.00 13.96 0 A 1 ATOM 687 C CG . LEU A 1 90 ? 17.356 35.453 6.317 1.00 13.79 0 A 1 ATOM 688 C CD1 . LEU A 1 90 ? 17.408 34.460 5.176 1.00 14.07 0 A 1 ATOM 689 C CD2 . LEU A 1 90 ? 18.707 35.539 6.985 1.00 12.79 0 A 1 ATOM 690 N N . THR A 1 91 ? 15.667 39.729 5.590 1.00 11.40 0 A 1 ATOM 691 C CA . THR A 1 91 ? 15.446 40.989 4.871 1.00 15.18 0 A 1 ATOM 692 C C . THR A 1 91 ? 15.871 42.225 5.690 1.00 13.75 0 A 1 ATOM 693 O O . THR A 1 91 ? 16.391 43.199 5.143 1.00 16.15 0 A 1 ATOM 694 C CB . THR A 1 91 ? 13.978 41.152 4.518 1.00 13.33 0 A 1 ATOM 695 C CG2 . THR A 1 91 ? 13.563 40.135 3.496 1.00 14.69 0 A 1 ATOM 696 O OG1 . THR A 1 91 ? 13.184 41.008 5.702 1.00 14.90 0 A 1 ATOM 697 N N . GLN A 1 92 ? 15.682 42.157 7.002 1.00 13.30 0 A 1 ATOM 698 C CA . GLN A 1 92 ? 16.031 43.253 7.895 1.00 12.26 0 A 1 ATOM 699 C C . GLN A 1 92 ? 17.534 43.523 7.989 1.00 14.03 0 A 1 ATOM 700 O O . GLN A 1 92 ? 17.946 44.641 8.311 1.00 15.79 0 A 1 ATOM 701 C CB . GLN A 1 92 ? 15.436 43.023 9.286 1.00 9.31 0 A 1 ATOM 702 C CG . GLN A 1 92 ? 13.939 42.777 9.271 1.00 10.56 0 A 1 ATOM 703 C CD . GLN A 1 92 ? 13.172 43.963 8.713 1.00 14.81 0 A 1 ATOM 704 N NE2 . GLN A 1 92 ? 12.985 44.973 9.535 1.00 10.50 0 A 1 ATOM 705 O OE1 . GLN A 1 92 ? 12.748 43.969 7.559 1.00 12.04 0 A 1 ATOM 706 N N . ILE A 1 93 ? 18.360 42.508 7.752 1.00 16.13 0 A 1 ATOM 707 C CA . ILE A 1 93 ? 19.810 42.704 7.803 1.00 14.88 0 A 1 ATOM 708 C C . ILE A 1 93 ? 20.385 42.892 6.397 1.00 11.56 0 A 1 ATOM 709 O O . ILE A 1 93 ? 21.593 42.933 6.212 1.00 15.39 0 A 1 ATOM 710 C CB . ILE A 1 93 ? 20.535 41.570 8.557 1.00 16.25 0 A 1 ATOM 711 C CG1 . ILE A 1 93 ? 20.436 40.231 7.811 1.00 18.87 0 A 1 ATOM 712 C CG2 . ILE A 1 93 ? 19.965 41.432 9.970 1.00 12.79 0 A 1 ATOM 713 C CD1 . ILE A 1 93 ? 21.293 39.131 8.431 1.00 22.60 0 A 1 ATOM 714 N N . GLY A 1 94 ? 19.498 43.027 5.422 1.00 15.52 0 A 1 ATOM 715 C CA . GLY A 1 94 ? 19.910 43.226 4.045 1.00 15.88 0 A 1 ATOM 716 C C . GLY A 1 94 ? 20.524 42.005 3.394 1.00 19.37 0 A 1 ATOM 717 O O . GLY A 1 94 ? 21.346 42.143 2.485 1.00 17.81 0 A 1 ATOM 718 N N . CYS A 1 95 ? 20.091 40.819 3.811 1.00 16.54 0 A 1 ATOM 719 C CA . CYS A 1 95 ? 20.630 39.585 3.253 1.00 18.53 0 A 1 ATOM 720 C C . CYS A 1 95 ? 20.145 39.389 1.827 1.00 15.44 0 A 1 ATOM 721 O O . CYS A 1 95 ? 18.972 39.604 1.510 1.00 15.64 0 A 1 ATOM 722 C CB . CYS A 1 95 ? 20.261 38.382 4.122 1.00 19.08 0 A 1 ATOM 723 S SG . CYS A 1 95 ? 21.296 36.926 3.842 1.00 26.88 0 A 1 ATOM 724 N N . THR A 1 96 ? 21.056 38.941 0.974 1.00 15.37 0 A 1 ATOM 725 C CA . THR A 1 96 ? 20.762 38.748 -0.433 1.00 16.47 0 A 1 ATOM 726 C C . THR A 1 96 ? 21.468 37.498 -0.994 1.00 14.01 0 A 1 ATOM 727 O O . THR A 1 96 ? 22.516 37.073 -0.494 1.00 12.77 0 A 1 ATOM 728 C CB . THR A 1 96 ? 21.130 40.043 -1.188 1.00 18.01 0 A 1 ATOM 729 C CG2 . THR A 1 96 ? 22.524 39.990 -1.738 1.00 11.65 0 A 1 ATOM 730 O OG1 . THR A 1 96 ? 20.203 40.280 -2.243 1.00 27.79 0 A 1 ATOM 731 N N . LEU A 1 97 ? 20.864 36.920 -2.025 1.00 14.45 0 A 1 ATOM 732 C CA . LEU A 1 97 ? 21.347 35.715 -2.685 1.00 17.19 0 A 1 ATOM 733 C C . LEU A 1 97 ? 21.974 36.136 -4.019 1.00 17.64 0 A 1 ATOM 734 O O . LEU A 1 97 ? 21.308 36.796 -4.825 1.00 17.92 0 A 1 ATOM 735 C CB . LEU A 1 97 ? 20.129 34.813 -2.926 1.00 20.58 0 A 1 ATOM 736 C CG . LEU A 1 97 ? 20.191 33.291 -2.883 1.00 24.85 0 A 1 ATOM 737 C CD1 . LEU A 1 97 ? 20.998 32.772 -1.696 1.00 24.77 0 A 1 ATOM 738 C CD2 . LEU A 1 97 ? 18.752 32.790 -2.813 1.00 22.06 0 A 1 ATOM 739 N N . ASN A 1 98 ? 23.226 35.743 -4.267 1.00 17.19 0 A 1 ATOM 740 C CA . ASN A 1 98 ? 23.926 36.122 -5.506 1.00 19.18 0 A 1 ATOM 741 C C . ASN A 1 98 ? 24.574 34.964 -6.262 1.00 18.74 0 A 1 ATOM 742 O O . ASN A 1 98 ? 25.167 34.085 -5.646 1.00 20.97 0 A 1 ATOM 743 C CB . ASN A 1 98 ? 25.035 37.136 -5.210 1.00 23.19 0 A 1 ATOM 744 C CG . ASN A 1 98 ? 24.513 38.443 -4.689 1.00 26.01 0 A 1 ATOM 745 N ND2 . ASN A 1 98 ? 24.436 39.438 -5.562 1.00 32.11 0 A 1 ATOM 746 O OD1 . ASN A 1 98 ? 24.191 38.568 -3.510 1.00 23.34 0 A 1 ATOM 747 N N . PHE A 1 99 ? 24.505 35.016 -7.595 1.00 17.61 0 A 1 ATOM 748 C CA . PHE A 1 99 ? 25.115 34.013 -8.480 1.00 21.90 0 A 1 ATOM 749 C C . PHE A 1 99 ? 25.161 34.476 -9.942 1.00 24.29 0 A 1 ATOM 750 O O . PHE A 1 99 ? 24.832 35.658 -10.184 1.00 24.00 0 A 1 ATOM 751 C CB . PHE A 1 99 ? 24.427 32.640 -8.373 1.00 20.68 0 A 1 ATOM 752 C CG . PHE A 1 99 ? 23.004 32.610 -8.888 1.00 22.25 0 A 1 ATOM 753 C CD1 . PHE A 1 99 ? 21.935 32.900 -8.049 1.00 22.40 0 A 1 ATOM 754 C CD2 . PHE A 1 99 ? 22.732 32.237 -10.201 1.00 22.52 0 A 1 ATOM 755 C CE1 . PHE A 1 99 ? 20.625 32.841 -8.516 1.00 23.39 0 A 1 ATOM 756 C CE2 . PHE A 1 99 ? 21.428 32.174 -10.673 1.00 23.87 0 A 1 ATOM 757 C CZ . PHE A 1 99 ? 20.369 32.468 -9.829 1.00 24.62 0 A 1 HETATM 758 O O . HOH D 3 305 ? 20.543 43.754 22.305 1.00 88.03 0 A 1 HETATM 759 O O . HOH D 3 307 ? 14.109 20.132 19.310 1.00 50.06 0 A 1 HETATM 760 O O . HOH D 3 309 ? 27.943 21.597 7.128 1.00 29.21 0 A 1 HETATM 761 O O . HOH D 3 314 ? 16.563 40.752 1.161 1.00 13.24 0 A 1 HETATM 762 O O . HOH D 3 315 ? 13.562 22.202 21.550 1.00 32.23 0 A 1 HETATM 763 O O . HOH D 3 324 ? 11.024 31.010 1.349 1.00 16.99 0 A 1 HETATM 764 O O . HOH D 3 325 ? 16.821 43.153 2.142 1.00 16.11 0 A 1 HETATM 765 O O . HOH D 3 327 ? 14.728 29.894 28.229 1.00 32.31 0 A 1 HETATM 766 O O . HOH D 3 328 ? 3.722 38.521 20.958 1.00 43.70 0 A 1 HETATM 767 O O . HOH D 3 329 ? 6.695 40.969 14.885 1.00 27.43 0 A 1 HETATM 768 O O . HOH D 3 331 ? 16.695 46.126 10.570 1.00 39.67 0 A 1 HETATM 769 O O . HOH D 3 332 ? 8.595 28.236 4.869 1.00 13.93 0 A 1 HETATM 770 O O . HOH D 3 344 ? 10.319 40.622 5.393 1.00 25.67 0 A 1 HETATM 771 O O . HOH D 3 345 ? 7.845 35.989 5.637 1.00 59.38 0 A 1 HETATM 772 O O . HOH D 3 357 ? 4.033 19.227 17.186 1.00 32.19 0 A 1 HETATM 773 O O . HOH D 3 384 ? 2.169 17.584 14.818 1.00 68.14 0 A 1 HETATM 774 O O . HOH D 3 386 ? 31.000 27.427 3.061 1.00 28.68 0 A 1 HETATM 775 O O . HOH D 3 389 ? 31.983 31.663 4.812 1.00 80.36 0 A 1 HETATM 776 O O . HOH D 3 394 ? 23.831 42.516 0.299 1.00 46.61 0 A 1 HETATM 777 O O . HOH D 3 406 ? 6.502 35.652 10.533 1.00 48.25 0 A 1 HETATM 778 O O . HOH D 3 408 ? 20.742 25.284 15.684 1.00 52.07 0 A 1 HETATM 779 O O . HOH D 3 416 ? 19.621 26.476 20.907 1.00 68.84 0 A 1 HETATM 780 O O . HOH D 3 422 ? 14.008 17.474 16.743 1.00 77.87 0 A 1 HETATM 781 O O . HOH D 3 439 ? 28.579 28.476 5.093 1.00 37.13 0 A 1 HETATM 782 O O . HOH D 3 457 ? 23.129 23.948 14.162 1.00 70.96 0 A 1 HETATM 783 O O . HOH D 3 501 ? 6.263 26.880 6.155 1.00 28.82 0 A 1 HETATM 784 O O . HOH D 3 503 ? 34.552 42.850 4.814 1.00 80.25 0 A 1 HETATM 785 O O . HOH D 3 510 ? 21.924 49.731 8.693 1.00 51.97 0 A 1 HETATM 786 O O . HOH D 3 524 ? 33.005 32.955 1.460 1.00 72.33 0 A 1 HETATM 787 O O . HOH D 3 529 ? 31.415 41.973 6.516 1.00 73.58 0 A 1 HETATM 788 O O . HOH D 3 532 ? 19.989 44.887 1.016 1.00 57.95 0 A 1 HETATM 789 O O . HOH D 3 553 ? 4.019 36.940 11.878 1.00 59.91 0 A 1 HETATM 790 O O . HOH D 3 561 ? 1.334 41.027 19.198 1.00 75.81 0 A 1 HETATM 791 O O . HOH D 3 567 ? 29.370 25.757 12.975 1.00 68.64 0 A 1 HETATM 792 O O . HOH D 3 572 ? 25.064 17.666 9.682 1.00 98.35 0 A 1 HETATM 793 O O . HOH D 3 575 ? 20.261 17.696 10.868 1.00 63.03 0 A 1 HETATM 794 O O . HOH D 3 618 ? 8.933 28.787 1.761 1.00 25.64 0 A 1 HETATM 795 O O . HOH D 3 619 ? 5.552 29.267 6.945 1.00 39.40 0 A 1 HETATM 796 O O . HOH D 3 620 ? 4.316 30.741 5.101 1.00 54.57 0 A 1 HETATM 797 O O . HOH D 3 621 ? 5.043 33.927 6.815 1.00 37.01 0 A 1 HETATM 798 O O . HOH D 3 623 ? 8.840 34.030 12.204 1.00 19.57 0 A 1 HETATM 799 O O . HOH D 3 625 ? 9.770 38.148 4.378 1.00 33.03 0 A 1 HETATM 800 O O . HOH D 3 628 ? 14.334 45.320 11.922 1.00 17.40 0 A 1 If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |