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*** ***elNémo ID: 2502031614131658548Job options:ID = 2502031614131658548 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_3nfk _entry.id 3nfk # _cell.entry_id 3nfk _cell.length_a 53.430 _cell.length_b 53.700 _cell.length_c 81.800 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _symmetry.entry_id 3nfk _symmetry.space_group_name_H-M 'P 21 21 21' # 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 . ASP A 1 513 ? 48.264 -24.342 19.914 1.00 23.96 0 A 1 ATOM 2 C CA . ASP A 1 513 ? 48.245 -25.792 19.826 1.00 22.81 0 A 1 ATOM 3 C C . ASP A 1 513 ? 46.897 -26.289 20.311 1.00 25.07 0 A 1 ATOM 4 O O . ASP A 1 513 ? 46.123 -25.481 20.816 1.00 22.27 0 A 1 ATOM 5 C CB . ASP A 1 513 ? 49.418 -26.416 20.629 1.00 26.45 0 A 1 ATOM 6 C CG . ASP A 1 513 ? 49.324 -26.279 22.144 1.00 39.91 0 A 1 ATOM 7 O OD1 . ASP A 1 513 ? 48.640 -25.349 22.618 1.00 39.57 0 A 1 ATOM 8 O OD2 . ASP A 1 513 ? 49.942 -27.103 22.854 1.00 46.71 0 A 1 ATOM 9 N N . ASN A 1 514 ? 46.611 -27.595 20.121 1.00 22.55 0 A 1 ATOM 10 C CA . ASN A 1 514 ? 45.363 -28.292 20.470 1.00 20.93 0 A 1 ATOM 11 C C . ASN A 1 514 ? 44.167 -27.708 19.738 1.00 21.34 0 A 1 ATOM 12 O O . ASN A 1 514 ? 43.030 -27.795 20.188 1.00 23.82 0 A 1 ATOM 13 C CB . ASN A 1 514 ? 45.126 -28.337 22.004 1.00 29.15 0 A 1 ATOM 14 C CG . ASN A 1 514 ? 43.997 -29.271 22.400 1.00 53.59 0 A 1 ATOM 15 N ND2 . ASN A 1 514 ? 43.149 -28.829 23.314 1.00 39.57 0 A 1 ATOM 16 O OD1 . ASN A 1 514 ? 43.821 -30.360 21.833 1.00 56.28 0 A 1 ATOM 17 N N . LEU A 1 515 ? 44.422 -27.172 18.576 1.00 15.29 0 A 1 ATOM 18 C CA . LEU A 1 515 ? 43.379 -26.493 17.833 1.00 12.33 0 A 1 ATOM 19 C C . LEU A 1 515 ? 42.508 -27.425 17.031 1.00 13.14 0 A 1 ATOM 20 O O . LEU A 1 515 ? 42.953 -28.496 16.612 1.00 13.87 0 A 1 ATOM 21 C CB . LEU A 1 515 ? 44.027 -25.440 16.936 1.00 12.13 0 A 1 ATOM 22 C CG . LEU A 1 515 ? 44.932 -24.435 17.664 1.00 15.03 0 A 1 ATOM 23 C CD1 . LEU A 1 515 ? 45.595 -23.485 16.650 1.00 17.90 0 A 1 ATOM 24 C CD2 . LEU A 1 515 ? 44.160 -23.621 18.671 1.00 14.40 0 A 1 ATOM 25 N N . VAL A 1 516 ? 41.260 -27.020 16.840 1.00 11.18 0 A 1 ATOM 26 C CA . VAL A 1 516 ? 40.251 -27.798 16.148 1.00 10.91 0 A 1 ATOM 27 C C . VAL A 1 516 ? 39.722 -26.922 15.008 1.00 12.26 0 A 1 ATOM 28 O O . VAL A 1 516 ? 39.327 -25.762 15.232 1.00 11.18 0 A 1 ATOM 29 C CB . VAL A 1 516 ? 39.117 -28.178 17.148 1.00 14.78 0 A 1 ATOM 30 C CG1 . VAL A 1 516 ? 37.974 -28.919 16.450 1.00 15.91 0 A 1 ATOM 31 C CG2 . VAL A 1 516 ? 39.652 -29.007 18.306 1.00 15.96 0 A 1 ATOM 32 N N . LEU A 1 517 ? 39.683 -27.488 13.795 1.00 11.31 0 A 1 ATOM 33 C CA . LEU A 1 517 ? 39.178 -26.782 12.626 1.00 11.71 0 A 1 ATOM 34 C C . LEU A 1 517 ? 37.784 -27.249 12.317 1.00 15.39 0 A 1 ATOM 35 O O . LEU A 1 517 ? 37.574 -28.435 12.024 1.00 17.22 0 A 1 ATOM 36 C CB . LEU A 1 517 ? 40.089 -27.069 11.424 1.00 13.63 0 A 1 ATOM 37 C CG . LEU A 1 517 ? 39.808 -26.266 10.127 1.00 16.58 0 A 1 ATOM 38 C CD1 . LEU A 1 517 ? 40.085 -24.809 10.323 1.00 18.92 0 A 1 ATOM 39 C CD2 . LEU A 1 517 ? 40.730 -26.733 8.985 1.00 20.66 0 A 1 ATOM 40 N N . ILE A 1 518 ? 36.841 -26.321 12.378 1.00 12.93 0 A 1 ATOM 41 C CA . ILE A 1 518 ? 35.445 -26.648 12.122 1.00 14.64 0 A 1 ATOM 42 C C . ILE A 1 518 ? 34.931 -25.910 10.913 1.00 15.08 0 A 1 ATOM 43 O O . ILE A 1 518 ? 35.265 -24.747 10.715 1.00 13.88 0 A 1 ATOM 44 C CB . ILE A 1 518 ? 34.629 -26.265 13.357 1.00 18.27 0 A 1 ATOM 45 C CG1 . ILE A 1 518 ? 35.063 -27.127 14.578 1.00 21.07 0 A 1 ATOM 46 C CG2 . ILE A 1 518 ? 33.085 -26.429 13.079 1.00 21.73 0 A 1 ATOM 47 C CD1 . ILE A 1 518 ? 34.514 -26.688 15.910 1.00 22.78 0 A 1 ATOM 48 N N . ARG A 1 519 ? 34.131 -26.595 10.103 1.00 15.67 0 A 1 ATOM 49 C CA . ARG A 1 519 ? 33.458 -26.000 8.974 1.00 15.92 0 A 1 ATOM 50 C C . ARG A 1 519 ? 31.968 -26.209 9.202 1.00 17.94 0 A 1 ATOM 51 O O . ARG A 1 519 ? 31.532 -27.237 9.735 1.00 17.79 0 A 1 ATOM 52 C CB . ARG A 1 519 ? 33.894 -26.640 7.665 1.00 19.70 0 A 1 ATOM 53 C CG . ARG A 1 519 ? 35.333 -26.329 7.312 1.00 28.35 0 A 1 ATOM 54 C CD . ARG A 1 519 ? 35.762 -27.066 6.062 1.00 48.48 0 A 1 ATOM 55 N NE . ARG A 1 519 ? 37.206 -26.955 5.852 1.00 60.62 0 A 1 ATOM 56 C CZ . ARG A 1 519 ? 38.093 -27.834 6.303 1.00 77.61 0 A 1 ATOM 57 N NH1 . ARG A 1 519 ? 37.695 -28.900 6.985 1.00 62.28 0 A 1 ATOM 58 N NH2 . ARG A 1 519 ? 39.385 -27.656 6.073 1.00 72.80 0 A 1 ATOM 59 N N . MET A 1 520 ? 31.177 -25.205 8.864 1.00 13.33 0 A 1 ATOM 60 C CA . MET A 1 520 ? 29.722 -25.312 8.997 1.00 11.83 0 A 1 ATOM 61 C C . MET A 1 520 ? 29.034 -24.399 8.018 1.00 12.06 0 A 1 ATOM 62 O O . MET A 1 520 ? 29.479 -23.274 7.778 1.00 11.37 0 A 1 ATOM 63 C CB . MET A 1 520 ? 29.228 -24.979 10.416 1.00 12.39 0 A 1 ATOM 64 C CG . MET A 1 520 ? 29.516 -23.575 10.878 1.00 13.09 0 A 1 ATOM 65 S SD . MET A 1 520 ? 28.933 -23.202 12.587 1.00 17.09 0 A 1 ATOM 66 C CE . MET A 1 520 ? 30.260 -23.840 13.506 1.00 15.32 0 A 1 ATOM 67 N N . LYS A 1 521 ? 27.986 -24.897 7.426 1.00 12.62 0 A 1 ATOM 68 C CA . LYS A 1 521 ? 27.149 -24.065 6.566 1.00 12.26 0 A 1 ATOM 69 C C . LYS A 1 521 ? 26.056 -23.456 7.452 1.00 12.86 0 A 1 ATOM 70 O O . LYS A 1 521 ? 25.580 -24.104 8.382 1.00 11.60 0 A 1 ATOM 71 C CB . LYS A 1 521 ? 26.514 -24.904 5.458 1.00 15.53 0 A 1 ATOM 72 C CG . LYS A 1 521 ? 27.555 -25.389 4.467 1.00 18.79 0 A 1 ATOM 73 C CD . LYS A 1 521 ? 26.899 -25.956 3.225 1.00 24.84 0 A 1 ATOM 74 C CE . LYS A 1 521 ? 27.939 -26.230 2.163 1.00 34.10 0 A 1 ATOM 75 N NZ . LYS A 1 521 ? 27.834 -27.621 1.657 1.00 38.19 0 A 1 ATOM 76 N N . PRO A 1 522 ? 25.573 -22.252 7.144 1.00 10.02 0 A 1 ATOM 77 C CA . PRO A 1 522 ? 24.458 -21.688 7.915 1.00 9.71 0 A 1 ATOM 78 C C . PRO A 1 522 ? 23.148 -22.397 7.562 1.00 12.34 0 A 1 ATOM 79 O O . PRO A 1 522 ? 23.088 -23.152 6.559 1.00 12.55 0 A 1 ATOM 80 C CB . PRO A 1 522 ? 24.396 -20.237 7.425 1.00 11.63 0 A 1 ATOM 81 C CG . PRO A 1 522 ? 24.904 -20.307 5.991 1.00 14.26 0 A 1 ATOM 82 C CD . PRO A 1 522 ? 25.997 -21.359 6.043 1.00 11.73 0 A 1 ATOM 83 N N . ASP A 1 523 ? 22.102 -22.130 8.381 1.00 10.77 0 A 1 ATOM 84 C CA . ASP A 1 523 ? 20.791 -22.611 8.043 1.00 10.63 0 A 1 ATOM 85 C C . ASP A 1 523 ? 20.269 -21.797 6.849 1.00 16.06 0 A 1 ATOM 86 O O . ASP A 1 523 ? 20.958 -20.897 6.352 1.00 15.17 0 A 1 ATOM 87 C CB . ASP A 1 523 ? 19.868 -22.599 9.272 1.00 12.06 0 A 1 ATOM 88 C CG . ASP A 1 523 ? 19.498 -21.245 9.824 1.00 12.65 0 A 1 ATOM 89 O OD1 . ASP A 1 523 ? 19.695 -20.247 9.122 1.00 13.05 0 A 1 ATOM 90 O OD2 . ASP A 1 523 ? 18.979 -21.197 10.954 1.00 15.47 0 A 1 ATOM 91 N N . GLU A 1 524 ? 19.064 -22.126 6.374 1.00 15.71 0 A 1 ATOM 92 C CA . GLU A 1 524 ? 18.481 -21.458 5.211 1.00 16.97 0 A 1 ATOM 93 C C . GLU A 1 524 ? 18.291 -19.971 5.396 1.00 21.92 0 A 1 ATOM 94 O O . GLU A 1 524 ? 18.268 -19.222 4.401 1.00 23.33 0 A 1 ATOM 95 C CB . GLU A 1 524 ? 17.188 -22.157 4.819 1.00 18.63 0 A 1 ATOM 96 C CG . GLU A 1 524 ? 17.430 -23.546 4.240 1.00 22.01 0 A 1 ATOM 97 C CD . GLU A 1 524 ? 16.182 -24.304 3.812 1.00 30.00 0 A 1 ATOM 98 O OE1 . GLU A 1 524 ? 15.079 -23.718 3.862 1.00 27.47 0 A 1 ATOM 99 O OE2 . GLU A 1 524 ? 16.298 -25.515 3.526 1.00 33.79 0 A 1 ATOM 100 N N . ASN A 1 525 ? 18.250 -19.520 6.656 1.00 15.92 0 A 1 ATOM 101 C CA . ASN A 1 525 ? 18.149 -18.119 7.004 1.00 15.67 0 A 1 ATOM 102 C C . ASN A 1 525 ? 19.440 -17.435 7.432 1.00 16.78 0 A 1 ATOM 103 O O . ASN A 1 525 ? 19.401 -16.346 8.003 1.00 17.49 0 A 1 ATOM 104 C CB . ASN A 1 525 ? 16.989 -17.844 7.932 1.00 16.65 0 A 1 ATOM 105 C CG . ASN A 1 525 ? 15.683 -17.969 7.186 1.00 25.18 0 A 1 ATOM 106 N ND2 . ASN A 1 525 ? 15.136 -19.168 7.160 1.00 16.16 0 A 1 ATOM 107 O OD1 . ASN A 1 525 ? 15.242 -17.040 6.491 1.00 23.32 0 A 1 ATOM 108 N N . GLY A 1 526 ? 20.584 -18.079 7.162 1.00 13.18 0 A 1 ATOM 109 C CA . GLY A 1 526 ? 21.895 -17.473 7.343 1.00 12.98 0 A 1 ATOM 110 C C . GLY A 1 526 ? 22.465 -17.531 8.749 1.00 13.62 0 A 1 ATOM 111 O O . GLY A 1 526 ? 23.474 -16.874 9.046 1.00 15.53 0 A 1 ATOM 112 N N . ARG A 1 527 ? 21.817 -18.287 9.638 1.00 11.67 0 A 1 ATOM 113 C CA . ARG A 1 527 ? 22.214 -18.348 11.043 1.00 10.88 0 A 1 ATOM 114 C C . ARG A 1 527 ? 22.953 -19.624 11.377 1.00 10.60 0 A 1 ATOM 115 O O . ARG A 1 527 ? 22.660 -20.696 10.828 1.00 10.51 0 A 1 ATOM 116 C CB . ARG A 1 527 ? 21.016 -18.197 11.956 1.00 13.01 0 A 1 ATOM 117 C CG . ARG A 1 527 ? 20.313 -16.852 11.684 1.00 15.73 0 A 1 ATOM 118 C CD . ARG A 1 527 ? 19.251 -16.528 12.727 1.00 25.28 0 A 1 ATOM 119 N NE . ARG A 1 527 ? 18.508 -15.311 12.381 1.00 34.04 0 A 1 ATOM 120 C CZ . ARG A 1 527 ? 17.343 -15.290 11.734 1.00 47.67 0 A 1 ATOM 121 N NH1 . ARG A 1 527 ? 16.752 -16.425 11.373 1.00 26.81 0 A 1 ATOM 122 N NH2 . ARG A 1 527 ? 16.750 -14.135 11.462 1.00 41.28 0 A 1 ATOM 123 N N . PHE A 1 528 ? 23.904 -19.503 12.281 1.00 8.72 0 A 1 ATOM 124 C CA . PHE A 1 528 ? 24.753 -20.634 12.676 1.00 8.16 0 A 1 ATOM 125 C C . PHE A 1 528 ? 24.363 -21.220 14.031 1.00 8.88 0 A 1 ATOM 126 O O . PHE A 1 528 ? 24.656 -22.395 14.247 1.00 9.87 0 A 1 ATOM 127 C CB . PHE A 1 528 ? 26.200 -20.189 12.727 1.00 8.83 0 A 1 ATOM 128 C CG . PHE A 1 528 ? 26.744 -19.815 11.375 1.00 8.31 0 A 1 ATOM 129 C CD1 . PHE A 1 528 ? 27.113 -20.796 10.455 1.00 9.52 0 A 1 ATOM 130 C CD2 . PHE A 1 528 ? 26.878 -18.487 11.015 1.00 9.42 0 A 1 ATOM 131 C CE1 . PHE A 1 528 ? 27.642 -20.455 9.217 1.00 11.27 0 A 1 ATOM 132 C CE2 . PHE A 1 528 ? 27.373 -18.138 9.752 1.00 10.39 0 A 1 ATOM 133 C CZ . PHE A 1 528 ? 27.749 -19.123 8.859 1.00 10.12 0 A 1 ATOM 134 N N . GLY A 1 529 ? 23.777 -20.435 14.933 1.00 7.35 0 A 1 ATOM 135 C CA . GLY A 1 529 ? 23.320 -20.988 16.206 1.00 8.47 0 A 1 ATOM 136 C C . GLY A 1 529 ? 24.267 -20.849 17.366 1.00 10.52 0 A 1 ATOM 137 O O . GLY A 1 529 ? 24.019 -21.453 18.410 1.00 11.88 0 A 1 ATOM 138 N N . PHE A 1 530 ? 25.345 -20.082 17.223 1.00 7.72 0 A 1 ATOM 139 C CA . PHE A 1 530 ? 26.260 -19.845 18.314 1.00 7.61 0 A 1 ATOM 140 C C . PHE A 1 530 ? 26.316 -18.374 18.627 1.00 9.47 0 A 1 ATOM 141 O O . PHE A 1 530 ? 26.033 -17.519 17.778 1.00 9.03 0 A 1 ATOM 142 C CB . PHE A 1 530 ? 27.647 -20.444 18.053 1.00 8.58 0 A 1 ATOM 143 C CG . PHE A 1 530 ? 28.458 -19.756 16.986 1.00 7.63 0 A 1 ATOM 144 C CD1 . PHE A 1 530 ? 29.424 -18.808 17.326 1.00 9.83 0 A 1 ATOM 145 C CD2 . PHE A 1 530 ? 28.276 -20.071 15.642 1.00 9.11 0 A 1 ATOM 146 C CE1 . PHE A 1 530 ? 30.181 -18.183 16.343 1.00 10.84 0 A 1 ATOM 147 C CE2 . PHE A 1 530 ? 29.050 -19.455 14.658 1.00 9.42 0 A 1 ATOM 148 C CZ . PHE A 1 530 ? 29.988 -18.497 15.015 1.00 10.18 0 A 1 ATOM 149 N N . ASN A 1 531 ? 26.674 -18.108 19.885 1.00 8.65 0 A 1 ATOM 150 C CA . ASN A 1 531 ? 26.886 -16.730 20.323 1.00 8.62 0 A 1 ATOM 151 C C . ASN A 1 531 ? 28.337 -16.580 20.663 1.00 9.33 0 A 1 ATOM 152 O O . ASN A 1 531 ? 29.015 -17.537 21.022 1.00 9.67 0 A 1 ATOM 153 C CB . ASN A 1 531 ? 26.102 -16.440 21.619 1.00 9.80 0 A 1 ATOM 154 C CG . ASN A 1 531 ? 24.624 -16.522 21.504 1.00 10.53 0 A 1 ATOM 155 N ND2 . ASN A 1 531 ? 23.949 -16.264 22.620 1.00 14.23 0 A 1 ATOM 156 O OD1 . ASN A 1 531 ? 24.058 -16.913 20.491 1.00 10.98 0 A 1 ATOM 157 N N . VAL A 1 532 ? 28.822 -15.331 20.572 1.00 9.18 0 A 1 ATOM 158 C CA . VAL A 1 532 ? 30.190 -15.037 20.996 1.00 9.64 0 A 1 ATOM 159 C C . VAL A 1 532 ? 30.219 -13.855 21.962 1.00 10.12 0 A 1 ATOM 160 O O . VAL A 1 532 ? 29.350 -12.983 21.894 1.00 9.25 0 A 1 ATOM 161 C CB . VAL A 1 532 ? 31.145 -14.716 19.822 1.00 12.93 0 A 1 ATOM 162 C CG1 . VAL A 1 532 ? 31.375 -15.949 18.941 1.00 13.58 0 A 1 ATOM 163 C CG2 . VAL A 1 532 ? 30.661 -13.521 18.985 1.00 14.07 0 A 1 ATOM 164 N N . LYS A 1 533 ? 31.215 -13.855 22.865 1.00 9.68 0 A 1 ATOM 165 C CA . LYS A 1 533 ? 31.566 -12.727 23.719 1.00 10.03 0 A 1 ATOM 166 C C . LYS A 1 533 ? 33.040 -12.429 23.409 1.00 11.09 0 A 1 ATOM 167 O O . LYS A 1 533 ? 33.724 -13.262 22.775 1.00 10.57 0 A 1 ATOM 168 C CB . LYS A 1 533 ? 31.433 -13.055 25.225 1.00 12.09 0 A 1 ATOM 169 C CG . LYS A 1 533 ? 29.992 -13.208 25.701 1.00 15.65 0 A 1 ATOM 170 C CD . LYS A 1 533 ? 29.907 -13.623 27.149 1.00 17.24 0 A 1 ATOM 171 C CE . LYS A 1 533 ? 28.485 -13.814 27.592 1.00 20.69 0 A 1 ATOM 172 N NZ . LYS A 1 533 ? 28.428 -14.060 29.078 1.00 26.22 0 A 1 ATOM 173 N N . GLY A 1 534 ? 33.529 -11.276 23.861 1.00 9.59 0 A 1 ATOM 174 C CA . GLY A 1 534 ? 34.942 -10.966 23.689 1.00 10.22 0 A 1 ATOM 175 C C . GLY A 1 534 ? 35.289 -10.148 22.456 1.00 12.26 0 A 1 ATOM 176 O O . GLY A 1 534 ? 34.419 -9.726 21.689 1.00 10.37 0 A 1 ATOM 177 N N . GLY A 1 535 ? 36.578 -9.941 22.271 1.00 11.19 0 A 1 ATOM 178 C CA . GLY A 1 535 ? 37.094 -9.099 21.203 1.00 11.25 0 A 1 ATOM 179 C C . GLY A 1 535 ? 38.021 -8.055 21.803 1.00 11.10 0 A 1 ATOM 180 O O . GLY A 1 535 ? 38.057 -7.826 23.022 1.00 11.72 0 A 1 ATOM 181 N N . TYR A 1 536 ? 38.793 -7.409 20.950 1.00 10.66 0 A 1 ATOM 182 C CA . TYR A 1 536 ? 39.812 -6.460 21.394 1.00 10.53 0 A 1 ATOM 183 C C . TYR A 1 536 ? 39.233 -5.346 22.261 1.00 12.79 0 A 1 ATOM 184 O O . TYR A 1 536 ? 39.847 -4.932 23.237 1.00 14.22 0 A 1 ATOM 185 C CB . TYR A 1 536 ? 40.515 -5.862 20.181 1.00 13.69 0 A 1 ATOM 186 C CG . TYR A 1 536 ? 41.569 -4.851 20.536 1.00 17.24 0 A 1 ATOM 187 C CD1 . TYR A 1 536 ? 42.850 -5.251 20.903 1.00 19.19 0 A 1 ATOM 188 C CD2 . TYR A 1 536 ? 41.298 -3.485 20.488 1.00 19.41 0 A 1 ATOM 189 C CE1 . TYR A 1 536 ? 43.826 -4.316 21.236 1.00 20.52 0 A 1 ATOM 190 C CE2 . TYR A 1 536 ? 42.248 -2.548 20.866 1.00 22.15 0 A 1 ATOM 191 C CZ . TYR A 1 536 ? 43.514 -2.966 21.214 1.00 23.49 0 A 1 ATOM 192 O OH . TYR A 1 536 ? 44.442 -2.006 21.511 1.00 24.55 0 A 1 ATOM 193 N N . ASP A 1 537 ? 38.036 -4.854 21.891 1.00 12.05 0 A 1 ATOM 194 C CA . ASP A 1 537 ? 37.372 -3.792 22.648 1.00 11.15 0 A 1 ATOM 195 C C . ASP A 1 537 ? 36.865 -4.255 24.006 1.00 13.62 0 A 1 ATOM 196 O O . ASP A 1 537 ? 36.618 -3.407 24.872 1.00 13.94 0 A 1 ATOM 197 C CB . ASP A 1 537 ? 36.209 -3.260 21.818 1.00 10.82 0 A 1 ATOM 198 C CG . ASP A 1 537 ? 35.219 -4.293 21.353 1.00 10.31 0 A 1 ATOM 199 O OD1 . ASP A 1 537 ? 35.641 -5.429 21.030 1.00 10.25 0 A 1 ATOM 200 O OD2 . ASP A 1 537 ? 34.017 -3.952 21.236 1.00 11.35 0 A 1 ATOM 201 N N . GLN A 1 538 ? 36.718 -5.556 24.207 1.00 12.36 0 A 1 ATOM 202 C CA . GLN A 1 538 ? 36.286 -6.123 25.479 1.00 12.35 0 A 1 ATOM 203 C C . GLN A 1 538 ? 37.501 -6.588 26.307 1.00 16.63 0 A 1 ATOM 204 O O . GLN A 1 538 ? 37.314 -7.059 27.428 1.00 18.67 0 A 1 ATOM 205 C CB . GLN A 1 538 ? 35.304 -7.265 25.264 1.00 11.20 0 A 1 ATOM 206 C CG . GLN A 1 538 ? 33.992 -6.768 24.645 1.00 11.32 0 A 1 ATOM 207 C CD . GLN A 1 538 ? 32.953 -7.853 24.611 1.00 11.22 0 A 1 ATOM 208 N NE2 . GLN A 1 538 ? 31.937 -7.637 23.806 1.00 10.79 0 A 1 ATOM 209 O OE1 . GLN A 1 538 ? 33.069 -8.905 25.285 1.00 12.51 0 A 1 ATOM 210 N N . LYS A 1 539 ? 38.717 -6.503 25.728 1.00 14.79 0 A 1 ATOM 211 C CA . LYS A 1 539 ? 39.969 -6.899 26.396 1.00 15.08 0 A 1 ATOM 212 C C . LYS A 1 539 ? 39.939 -8.347 26.807 1.00 19.18 0 A 1 ATOM 213 O O . LYS A 1 539 ? 40.492 -8.741 27.845 1.00 19.51 0 A 1 ATOM 214 C CB . LYS A 1 539 ? 40.301 -6.001 27.612 1.00 18.14 0 A 1 ATOM 215 C CG . LYS A 1 539 ? 40.329 -4.517 27.322 1.00 23.58 0 A 1 ATOM 216 C CD . LYS A 1 539 ? 40.585 -3.776 28.637 1.00 35.83 0 A 1 ATOM 217 C CE . LYS A 1 539 ? 39.664 -2.603 28.878 1.00 46.60 0 A 1 ATOM 218 N NZ . LYS A 1 539 ? 39.858 -1.528 27.868 1.00 45.37 0 A 1 ATOM 219 N N . MET A 1 540 ? 39.247 -9.157 25.995 1.00 16.74 0 A 1 ATOM 220 C C01 A MET A 1 540 ? 39.241 -10.578 26.254 0.50 17.09 0 A 1 ATOM 221 C CA B MET A 1 540 ? 39.046 -10.579 26.253 0.50 16.03 0 A 1 ATOM 222 C C . MET A 1 540 ? 39.165 -11.350 24.965 1.00 17.92 0 A 1 ATOM 223 O O . MET A 1 540 ? 38.767 -10.804 23.923 1.00 15.46 0 A 1 ATOM 224 C C02 A MET A 1 540 ? 38.204 -10.996 27.303 0.50 20.22 0 A 1 ATOM 225 C CB B MET A 1 540 ? 37.617 -10.803 26.806 0.50 18.00 0 A 1 ATOM 226 C C03 A MET A 1 540 ? 36.804 -10.729 26.908 0.50 24.00 0 A 1 ATOM 227 C CG B MET A 1 540 ? 37.418 -10.331 28.252 0.50 22.77 0 A 1 ATOM 228 S S04 A MET A 1 540 ? 35.733 -11.350 28.207 0.50 29.80 0 A 1 ATOM 229 S SD B MET A 1 540 ? 38.580 -11.021 29.467 0.50 29.11 0 A 1 ATOM 230 C C05 A MET A 1 540 ? 34.171 -10.875 27.534 0.50 24.78 0 A 1 ATOM 231 C CE B MET A 1 540 ? 38.097 -12.739 29.476 0.50 25.43 0 A 1 ATOM 232 N N . PRO A 1 541 ? 39.603 -12.629 24.967 1.00 16.60 0 A 1 ATOM 233 C CA . PRO A 1 541 ? 39.577 -13.369 23.705 1.00 14.45 0 A 1 ATOM 234 C C . PRO A 1 541 ? 38.122 -13.608 23.254 1.00 14.26 0 A 1 ATOM 235 O O . PRO A 1 541 ? 37.166 -13.543 24.067 1.00 13.48 0 A 1 ATOM 236 C CB . PRO A 1 541 ? 40.227 -14.712 24.055 1.00 17.90 0 A 1 ATOM 237 C CG . PRO A 1 541 ? 40.040 -14.849 25.540 1.00 24.64 0 A 1 ATOM 238 C CD . PRO A 1 541 ? 40.148 -13.462 26.073 1.00 19.04 0 A 1 ATOM 239 N N . VAL A 1 542 ? 37.949 -13.834 21.944 1.00 11.88 0 A 1 ATOM 240 C CA . VAL A 1 542 ? 36.635 -14.170 21.410 1.00 11.44 0 A 1 ATOM 241 C C . VAL A 1 542 ? 36.307 -15.595 21.841 1.00 12.52 0 A 1 ATOM 242 O O . VAL A 1 542 ? 37.087 -16.514 21.577 1.00 12.08 0 A 1 ATOM 243 C CB . VAL A 1 542 ? 36.559 -13.993 19.885 1.00 13.91 0 A 1 ATOM 244 C CG1 . VAL A 1 542 ? 35.222 -14.479 19.357 1.00 12.81 0 A 1 ATOM 245 C CG2 . VAL A 1 542 ? 36.765 -12.524 19.521 1.00 15.09 0 A 1 ATOM 246 N N . ILE A 1 543 ? 35.234 -15.768 22.588 1.00 11.78 0 A 1 ATOM 247 C CA . ILE A 1 543 ? 34.833 -17.081 23.152 1.00 10.92 0 A 1 ATOM 248 C C . ILE A 1 543 ? 33.403 -17.378 22.731 1.00 12.74 0 A 1 ATOM 249 O O . ILE A 1 543 ? 32.535 -16.481 22.745 1.00 13.31 0 A 1 ATOM 250 C CB . ILE A 1 543 ? 34.933 -17.071 24.722 1.00 16.14 0 A 1 ATOM 251 C CG1 . ILE A 1 543 ? 36.326 -16.620 25.234 1.00 18.89 0 A 1 ATOM 252 C CG2 . ILE A 1 543 ? 34.524 -18.427 25.385 1.00 20.22 0 A 1 ATOM 253 C CD1 . ILE A 1 543 ? 37.442 -17.621 25.120 1.00 28.20 0 A 1 ATOM 254 N N . VAL A 1 544 ? 33.136 -18.663 22.438 1.00 10.46 0 A 1 ATOM 255 C CA . VAL A 1 544 ? 31.772 -19.105 22.151 1.00 10.13 0 A 1 ATOM 256 C C . VAL A 1 544 ? 31.061 -19.153 23.485 1.00 12.45 0 A 1 ATOM 257 O O . VAL A 1 544 ? 31.490 -19.862 24.414 1.00 12.11 0 A 1 ATOM 258 C CB . VAL A 1 544 ? 31.793 -20.487 21.481 1.00 11.57 0 A 1 ATOM 259 C CG1 . VAL A 1 544 ? 30.364 -20.991 21.259 1.00 11.18 0 A 1 ATOM 260 C CG2 . VAL A 1 544 ? 32.539 -20.393 20.153 1.00 11.73 0 A 1 ATOM 261 N N . SER A 1 545 ? 29.965 -18.398 23.612 1.00 10.11 0 A 1 ATOM 262 C CA . SER A 1 545 ? 29.248 -18.311 24.864 1.00 9.54 0 A 1 ATOM 263 C C . SER A 1 545 ? 27.966 -19.130 24.925 1.00 12.03 0 A 1 ATOM 264 O O . SER A 1 545 ? 27.409 -19.327 26.017 1.00 13.28 0 A 1 ATOM 265 C CB . SER A 1 545 ? 28.959 -16.846 25.166 1.00 11.99 0 A 1 ATOM 266 O OG . SER A 1 545 ? 28.298 -16.254 24.057 1.00 11.80 0 A 1 ATOM 267 N N . ARG A 1 546 ? 27.452 -19.581 23.762 1.00 8.37 0 A 1 ATOM 268 C CA . ARG A 1 546 ? 26.242 -20.386 23.716 1.00 8.80 0 A 1 ATOM 269 C C . ARG A 1 546 ? 26.237 -21.112 22.388 1.00 9.81 0 A 1 ATOM 270 O O . ARG A 1 546 ? 26.712 -20.577 21.370 1.00 9.44 0 A 1 ATOM 271 C CB . ARG A 1 546 ? 24.979 -19.487 23.785 1.00 11.29 0 A 1 ATOM 272 C CG . ARG A 1 546 ? 23.713 -20.313 24.012 1.00 18.08 0 A 1 ATOM 273 C CD . ARG A 1 546 ? 22.458 -19.497 24.259 1.00 30.78 0 A 1 ATOM 274 N NE . ARG A 1 546 ? 21.305 -20.401 24.271 1.00 43.48 0 A 1 ATOM 275 C CZ . ARG A 1 546 ? 20.528 -20.641 23.219 1.00 57.42 0 A 1 ATOM 276 N NH1 . ARG A 1 546 ? 20.717 -19.983 22.080 1.00 34.55 0 A 1 ATOM 277 N NH2 . ARG A 1 546 ? 19.532 -21.514 23.309 1.00 46.25 0 A 1 ATOM 278 N N . VAL A 1 547 ? 25.707 -22.334 22.391 1.00 9.25 0 A 1 ATOM 279 C CA . VAL A 1 547 ? 25.478 -23.114 21.185 1.00 9.01 0 A 1 ATOM 280 C C . VAL A 1 547 ? 24.053 -23.628 21.328 1.00 11.60 0 A 1 ATOM 281 O O . VAL A 1 547 ? 23.748 -24.339 22.307 1.00 12.19 0 A 1 ATOM 282 C CB . VAL A 1 547 ? 26.474 -24.254 21.009 1.00 10.80 0 A 1 ATOM 283 C CG1 . VAL A 1 547 ? 26.087 -25.117 19.798 1.00 12.28 0 A 1 ATOM 284 C CG2 . VAL A 1 547 ? 27.908 -23.712 20.867 1.00 10.78 0 A 1 ATOM 285 N N . ALA A 1 548 ? 23.180 -23.273 20.380 1.00 9.53 0 A 1 ATOM 286 C CA . ALA A 1 548 ? 21.772 -23.639 20.449 1.00 10.08 0 A 1 ATOM 287 C C . ALA A 1 548 ? 21.487 -25.049 19.883 1.00 10.15 0 A 1 ATOM 288 O O . ALA A 1 548 ? 22.062 -25.456 18.861 1.00 10.00 0 A 1 ATOM 289 C CB . ALA A 1 548 ? 20.929 -22.607 19.724 1.00 11.43 0 A 1 ATOM 290 N N . PRO A 1 549 ? 20.572 -25.783 20.512 1.00 9.56 0 A 1 ATOM 291 C CA . PRO A 1 549 ? 20.291 -27.144 20.040 1.00 9.27 0 A 1 ATOM 292 C C . PRO A 1 549 ? 19.773 -27.213 18.601 1.00 9.85 0 A 1 ATOM 293 O O . PRO A 1 549 ? 18.931 -26.413 18.217 1.00 10.63 0 A 1 ATOM 294 C CB . PRO A 1 549 ? 19.182 -27.642 20.992 1.00 11.87 0 A 1 ATOM 295 C CG . PRO A 1 549 ? 19.321 -26.791 22.243 1.00 15.73 0 A 1 ATOM 296 C CD . PRO A 1 549 ? 19.795 -25.441 21.725 1.00 10.33 0 A 1 ATOM 297 N N . GLY A 1 550 ? 20.328 -28.138 17.815 1.00 9.60 0 A 1 ATOM 298 C CA . GLY A 1 550 ? 19.834 -28.422 16.469 1.00 9.98 0 A 1 ATOM 299 C C . GLY A 1 550 ? 20.229 -27.424 15.416 1.00 11.17 0 A 1 ATOM 300 O O . GLY A 1 550 ? 19.704 -27.485 14.301 1.00 12.22 0 A 1 ATOM 301 N N . THR A 1 551 ? 21.132 -26.529 15.741 1.00 8.90 0 A 1 ATOM 302 C CA . THR A 1 551 ? 21.626 -25.541 14.809 1.00 9.16 0 A 1 ATOM 303 C C . THR A 1 551 ? 22.926 -26.015 14.180 1.00 8.33 0 A 1 ATOM 304 O O . THR A 1 551 ? 23.522 -27.003 14.644 1.00 9.58 0 A 1 ATOM 305 C CB . THR A 1 551 ? 21.859 -24.226 15.526 1.00 8.42 0 A 1 ATOM 306 C CG2 . THR A 1 551 ? 20.551 -23.656 16.124 1.00 10.23 0 A 1 ATOM 307 O OG1 . THR A 1 551 ? 22.892 -24.371 16.506 1.00 8.05 0 A 1 ATOM 308 N N . PRO A 1 552 ? 23.433 -25.362 13.125 1.00 8.43 0 A 1 ATOM 309 C CA . PRO A 1 552 ? 24.678 -25.835 12.502 1.00 9.11 0 A 1 ATOM 310 C C . PRO A 1 552 ? 25.833 -25.976 13.484 1.00 9.03 0 A 1 ATOM 311 O O . PRO A 1 552 ? 26.625 -26.936 13.388 1.00 9.57 0 A 1 ATOM 312 C CB . PRO A 1 552 ? 24.964 -24.771 11.425 1.00 9.92 0 A 1 ATOM 313 C CG . PRO A 1 552 ? 23.542 -24.360 11.012 1.00 10.78 0 A 1 ATOM 314 C CD . PRO A 1 552 ? 22.796 -24.288 12.324 1.00 9.51 0 A 1 ATOM 315 N N . ALA A 1 553 ? 25.932 -25.049 14.440 1.00 7.79 0 A 1 ATOM 316 C CA . ALA A 1 553 ? 27.017 -25.090 15.416 1.00 7.40 0 A 1 ATOM 317 C C . ALA A 1 553 ? 26.913 -26.300 16.357 1.00 8.50 0 A 1 ATOM 318 O O . ALA A 1 553 ? 27.915 -26.729 16.947 1.00 8.14 0 A 1 ATOM 319 C CB . ALA A 1 553 ? 27.069 -23.786 16.206 1.00 8.76 0 A 1 ATOM 320 N N . ASP A 1 554 ? 25.670 -26.795 16.553 1.00 7.97 0 A 1 ATOM 321 C CA . ASP A 1 554 ? 25.456 -27.954 17.404 1.00 7.52 0 A 1 ATOM 322 C C . ASP A 1 554 ? 25.674 -29.251 16.630 1.00 8.86 0 A 1 ATOM 323 O O . ASP A 1 554 ? 25.886 -30.290 17.245 1.00 8.88 0 A 1 ATOM 324 C CB . ASP A 1 554 ? 24.009 -27.903 17.907 1.00 7.51 0 A 1 ATOM 325 C CG . ASP A 1 554 ? 23.619 -29.033 18.804 1.00 9.10 0 A 1 ATOM 326 O OD1 . ASP A 1 554 ? 24.342 -29.278 19.806 1.00 9.63 0 A 1 ATOM 327 O OD2 . ASP A 1 554 ? 22.614 -29.702 18.504 1.00 10.29 0 A 1 ATOM 328 N N . LEU A 1 555 ? 25.501 -29.198 15.290 1.00 8.28 0 A 1 ATOM 329 C CA . LEU A 1 555 ? 25.509 -30.427 14.472 1.00 9.16 0 A 1 ATOM 330 C C . LEU A 1 555 ? 26.750 -30.625 13.632 1.00 10.34 0 A 1 ATOM 331 O O . LEU A 1 555 ? 26.846 -31.622 12.910 1.00 10.41 0 A 1 ATOM 332 C CB . LEU A 1 555 ? 24.267 -30.421 13.554 1.00 9.14 0 A 1 ATOM 333 C CG . LEU A 1 555 ? 22.926 -30.280 14.247 1.00 9.94 0 A 1 ATOM 334 C CD1 . LEU A 1 555 ? 21.815 -30.202 13.220 1.00 10.40 0 A 1 ATOM 335 C CD2 . LEU A 1 555 ? 22.681 -31.488 15.169 1.00 11.73 0 A 1 ATOM 336 N N . CYS A 1 556 ? 27.725 -29.723 13.777 1.00 9.26 0 A 1 ATOM 337 C CA . CYS A 1 556 ? 28.920 -29.789 12.967 1.00 8.71 0 A 1 ATOM 338 C C . CYS A 1 556 ? 29.900 -30.843 13.417 1.00 10.74 0 A 1 ATOM 339 O O . CYS A 1 556 ? 29.700 -31.496 14.450 1.00 9.99 0 A 1 ATOM 340 C CB . CYS A 1 556 ? 29.543 -28.406 12.828 1.00 9.43 0 A 1 ATOM 341 S SG . CYS A 1 556 ? 29.826 -27.559 14.380 1.00 10.71 0 A 1 ATOM 342 N N . VAL A 1 557 ? 30.972 -31.016 12.631 1.00 11.46 0 A 1 ATOM 343 C CA . VAL A 1 557 ? 31.971 -32.057 12.850 1.00 13.26 0 A 1 ATOM 344 C C . VAL A 1 557 ? 33.318 -31.461 13.251 1.00 15.42 0 A 1 ATOM 345 O O . VAL A 1 557 ? 34.032 -30.983 12.349 1.00 17.68 0 A 1 ATOM 346 C CB . VAL A 1 557 ? 32.120 -32.930 11.583 1.00 17.10 0 A 1 ATOM 347 C CG1 . VAL A 1 557 ? 33.241 -33.967 11.754 1.00 17.95 0 A 1 ATOM 348 C CG2 . VAL A 1 557 ? 30.796 -33.573 11.189 1.00 16.64 0 A 1 ATOM 349 N N . PRO A 1 558 ? 33.744 -31.530 14.531 1.00 12.45 0 A 1 ATOM 350 C CA . PRO A 1 558 ? 32.955 -31.917 15.708 1.00 11.67 0 A 1 ATOM 351 C C . PRO A 1 558 ? 32.106 -30.717 16.121 1.00 11.51 0 A 1 ATOM 352 O O . PRO A 1 558 ? 32.172 -29.659 15.472 1.00 11.61 0 A 1 ATOM 353 C CB . PRO A 1 558 ? 34.039 -32.267 16.730 1.00 12.83 0 A 1 ATOM 354 C CG . PRO A 1 558 ? 35.091 -31.196 16.446 1.00 16.38 0 A 1 ATOM 355 C CD . PRO A 1 558 ? 35.075 -31.025 14.947 1.00 14.28 0 A 1 ATOM 356 N N . ARG A 1 559 ? 31.359 -30.859 17.197 1.00 10.43 0 A 1 ATOM 357 C CA . ARG A 1 559 ? 30.495 -29.784 17.665 1.00 8.26 0 A 1 ATOM 358 C C . ARG A 1 559 ? 31.305 -28.569 18.073 1.00 8.68 0 A 1 ATOM 359 O O . ARG A 1 559 ? 32.385 -28.729 18.626 1.00 10.77 0 A 1 ATOM 360 C CB . ARG A 1 559 ? 29.719 -30.290 18.884 1.00 9.26 0 A 1 ATOM 361 C CG . ARG A 1 559 ? 28.550 -29.372 19.185 1.00 11.18 0 A 1 ATOM 362 C CD . ARG A 1 559 ? 28.183 -29.507 20.631 1.00 14.23 0 A 1 ATOM 363 N NE . ARG A 1 559 ? 26.902 -28.881 20.942 1.00 9.81 0 A 1 ATOM 364 C CZ . ARG A 1 559 ? 26.742 -28.046 21.948 1.00 10.48 0 A 1 ATOM 365 N NH1 . ARG A 1 559 ? 27.796 -27.663 22.688 1.00 12.30 0 A 1 ATOM 366 N NH2 . ARG A 1 559 ? 25.539 -27.574 22.232 1.00 12.19 0 A 1 ATOM 367 N N . LEU A 1 560 ? 30.748 -27.369 17.858 1.00 9.03 0 A 1 ATOM 368 C CA . LEU A 1 560 ? 31.339 -26.155 18.420 1.00 8.49 0 A 1 ATOM 369 C C . LEU A 1 560 ? 30.850 -26.133 19.874 1.00 12.37 0 A 1 ATOM 370 O O . LEU A 1 560 ? 29.684 -26.464 20.144 1.00 14.91 0 A 1 ATOM 371 C CB . LEU A 1 560 ? 30.834 -24.928 17.661 1.00 9.02 0 A 1 ATOM 372 C CG . LEU A 1 560 ? 31.487 -23.618 18.062 1.00 10.22 0 A 1 ATOM 373 C CD1 . LEU A 1 560 ? 32.969 -23.582 17.694 1.00 11.75 0 A 1 ATOM 374 C CD2 . LEU A 1 560 ? 30.752 -22.472 17.391 1.00 11.49 0 A 1 ATOM 375 N N . ASN A 1 561 ? 31.720 -25.804 20.821 1.00 10.20 0 A 1 ATOM 376 C CA . ASN A 1 561 ? 31.330 -25.847 22.228 1.00 9.80 0 A 1 ATOM 377 C C . ASN A 1 561 ? 31.477 -24.526 22.934 1.00 10.40 0 A 1 ATOM 378 O O . ASN A 1 561 ? 32.393 -23.742 22.658 1.00 10.33 0 A 1 ATOM 379 C CB . ASN A 1 561 ? 32.146 -26.909 22.982 1.00 10.07 0 A 1 ATOM 380 C CG . ASN A 1 561 ? 31.820 -28.293 22.570 1.00 12.82 0 A 1 ATOM 381 N ND2 . ASN A 1 561 ? 32.814 -29.016 22.073 1.00 13.13 0 A 1 ATOM 382 O OD1 . ASN A 1 561 ? 30.660 -28.707 22.697 1.00 15.38 0 A 1 ATOM 383 N N . GLU A 1 562 ? 30.630 -24.319 23.922 1.00 9.69 0 A 1 ATOM 384 C CA . GLU A 1 562 ? 30.791 -23.171 24.812 1.00 9.42 0 A 1 ATOM 385 C C . GLU A 1 562 ? 32.166 -23.214 25.447 1.00 12.74 0 A 1 ATOM 386 O O . GLU A 1 562 ? 32.654 -24.305 25.810 1.00 13.03 0 A 1 ATOM 387 C CB . GLU A 1 562 ? 29.716 -23.201 25.902 1.00 10.83 0 A 1 ATOM 388 C CG . GLU A 1 562 ? 28.350 -22.970 25.340 1.00 13.15 0 A 1 ATOM 389 C CD . GLU A 1 562 ? 27.574 -24.207 24.951 1.00 25.28 0 A 1 ATOM 390 O OE1 . GLU A 1 562 ? 28.179 -25.298 24.756 1.00 19.52 0 A 1 ATOM 391 O OE2 . GLU A 1 562 ? 26.329 -24.066 24.861 1.00 24.90 0 A 1 ATOM 392 N N . GLY A 1 563 ? 32.818 -22.062 25.479 1.00 10.84 0 A 1 ATOM 393 C CA . GLY A 1 563 ? 34.160 -21.971 26.039 1.00 11.14 0 A 1 ATOM 394 C C . GLY A 1 563 ? 35.256 -22.083 24.999 1.00 11.83 0 A 1 ATOM 395 O O . GLY A 1 563 ? 36.416 -21.731 25.281 1.00 13.63 0 A 1 ATOM 396 N N . ASP A 1 564 ? 34.888 -22.498 23.761 1.00 9.69 0 A 1 ATOM 397 C CA . ASP A 1 564 ? 35.895 -22.573 22.721 1.00 9.25 0 A 1 ATOM 398 C C . ASP A 1 564 ? 36.351 -21.170 22.383 1.00 10.69 0 A 1 ATOM 399 O O . ASP A 1 564 ? 35.521 -20.260 22.236 1.00 10.66 0 A 1 ATOM 400 C CB . ASP A 1 564 ? 35.318 -23.202 21.454 1.00 10.11 0 A 1 ATOM 401 C CG . ASP A 1 564 ? 35.141 -24.724 21.454 1.00 13.08 0 A 1 ATOM 402 O OD1 . ASP A 1 564 ? 35.553 -25.377 22.442 1.00 12.21 0 A 1 ATOM 403 O OD2 . ASP A 1 564 ? 34.556 -25.236 20.470 1.00 12.25 0 A 1 ATOM 404 N N . GLN A 1 565 ? 37.671 -20.971 22.262 1.00 10.10 0 A 1 ATOM 405 C CA . GLN A 1 565 ? 38.221 -19.659 21.936 1.00 10.98 0 A 1 ATOM 406 C C . GLN A 1 565 ? 38.441 -19.601 20.430 1.00 12.04 0 A 1 ATOM 407 O O . GLN A 1 565 ? 39.087 -20.503 19.869 1.00 12.71 0 A 1 ATOM 408 C CB . GLN A 1 565 ? 39.560 -19.457 22.653 1.00 12.32 0 A 1 ATOM 409 C CG . GLN A 1 565 ? 40.182 -18.111 22.299 1.00 21.20 0 A 1 ATOM 410 C CD . GLN A 1 565 ? 41.544 -17.877 22.912 1.00 41.34 0 A 1 ATOM 411 N NE2 . GLN A 1 565 ? 42.328 -16.996 22.293 1.00 25.13 0 A 1 ATOM 412 O OE1 . GLN A 1 565 ? 41.890 -18.432 23.962 1.00 40.28 0 A 1 ATOM 413 N N . VAL A 1 566 ? 37.906 -18.557 19.773 1.00 10.52 0 A 1 ATOM 414 C CA . VAL A 1 566 ? 38.039 -18.459 18.317 1.00 10.38 0 A 1 ATOM 415 C C . VAL A 1 566 ? 39.392 -17.856 17.958 1.00 12.17 0 A 1 ATOM 416 O O . VAL A 1 566 ? 39.698 -16.741 18.386 1.00 14.16 0 A 1 ATOM 417 C CB . VAL A 1 566 ? 36.862 -17.667 17.719 1.00 13.34 0 A 1 ATOM 418 C CG1 . VAL A 1 566 ? 36.953 -17.614 16.191 1.00 13.09 0 A 1 ATOM 419 C CG2 . VAL A 1 566 ? 35.534 -18.317 18.125 1.00 13.08 0 A 1 ATOM 420 N N . VAL A 1 567 ? 40.217 -18.591 17.195 1.00 10.70 0 A 1 ATOM 421 C CA . VAL A 1 567 ? 41.555 -18.142 16.791 1.00 11.41 0 A 1 ATOM 422 C C . VAL A 1 567 ? 41.511 -17.569 15.378 1.00 13.88 0 A 1 ATOM 423 O O . VAL A 1 567 ? 42.017 -16.467 15.153 1.00 13.86 0 A 1 ATOM 424 C CB . VAL A 1 567 ? 42.565 -19.327 16.883 1.00 15.75 0 A 1 ATOM 425 C CG1 . VAL A 1 567 ? 43.955 -18.919 16.370 1.00 18.11 0 A 1 ATOM 426 C CG2 . VAL A 1 567 ? 42.642 -19.844 18.324 1.00 15.48 0 A 1 ATOM 427 N N . LEU A 1 568 ? 40.886 -18.308 14.435 1.00 11.05 0 A 1 ATOM 428 C CA . LEU A 1 568 ? 40.759 -17.852 13.037 1.00 11.50 0 A 1 ATOM 429 C C . LEU A 1 568 ? 39.331 -17.951 12.596 1.00 11.43 0 A 1 ATOM 430 O O . LEU A 1 568 ? 38.597 -18.847 13.023 1.00 10.71 0 A 1 ATOM 431 C CB . LEU A 1 568 ? 41.530 -18.734 12.063 1.00 12.84 0 A 1 ATOM 432 C CG . LEU A 1 568 ? 43.038 -18.952 12.246 1.00 16.98 0 A 1 ATOM 433 C CD1 . LEU A 1 568 ? 43.592 -19.832 11.104 1.00 16.63 0 A 1 ATOM 434 C CD2 . LEU A 1 568 ? 43.813 -17.634 12.274 1.00 15.17 0 A 1 ATOM 435 N N . ILE A 1 569 ? 38.924 -17.008 11.713 1.00 10.23 0 A 1 ATOM 436 C CA . ILE A 1 569 ? 37.632 -17.033 11.074 1.00 9.02 0 A 1 ATOM 437 C C . ILE A 1 569 ? 37.913 -16.979 9.595 1.00 11.76 0 A 1 ATOM 438 O O . ILE A 1 569 ? 38.464 -15.974 9.120 1.00 12.40 0 A 1 ATOM 439 C CB . ILE A 1 569 ? 36.714 -15.875 11.509 1.00 10.47 0 A 1 ATOM 440 C CG1 . ILE A 1 569 ? 36.476 -15.976 13.022 1.00 12.10 0 A 1 ATOM 441 C CG2 . ILE A 1 569 ? 35.385 -15.904 10.697 1.00 11.21 0 A 1 ATOM 442 C CD1 . ILE A 1 569 ? 35.697 -14.851 13.611 1.00 15.69 0 A 1 ATOM 443 N N . ASN A 1 570 ? 37.523 -18.020 8.856 1.00 11.01 0 A 1 ATOM 444 C CA . ASN A 1 570 ? 37.829 -18.088 7.422 1.00 11.42 0 A 1 ATOM 445 C C . ASN A 1 570 ? 39.304 -17.765 7.161 1.00 14.84 0 A 1 ATOM 446 O O . ASN A 1 570 ? 39.636 -17.018 6.239 1.00 16.10 0 A 1 ATOM 447 C CB . ASN A 1 570 ? 36.904 -17.183 6.616 1.00 12.46 0 A 1 ATOM 448 C CG . ASN A 1 570 ? 35.480 -17.645 6.725 1.00 12.74 0 A 1 ATOM 449 N ND2 . ASN A 1 570 ? 34.574 -16.696 6.788 1.00 11.82 0 A 1 ATOM 450 O OD1 . ASN A 1 570 ? 35.201 -18.854 6.707 1.00 13.87 0 A 1 ATOM 451 N N . GLY A 1 571 ? 40.163 -18.320 8.002 1.00 13.92 0 A 1 ATOM 452 C CA . GLY A 1 571 ? 41.617 -18.165 7.856 1.00 15.02 0 A 1 ATOM 453 C C . GLY A 1 571 ? 42.251 -16.907 8.396 1.00 19.08 0 A 1 ATOM 454 O O . GLY A 1 571 ? 43.491 -16.795 8.422 1.00 22.03 0 A 1 ATOM 455 N N . ARG A 1 572 ? 41.417 -15.959 8.849 1.00 15.19 0 A 1 ATOM 456 C CA . ARG A 1 572 ? 41.880 -14.665 9.315 1.00 15.56 0 A 1 ATOM 457 C C . ARG A 1 572 ? 42.108 -14.644 10.792 1.00 16.13 0 A 1 ATOM 458 O O . ARG A 1 572 ? 41.236 -15.057 11.545 1.00 13.72 0 A 1 ATOM 459 C CB . ARG A 1 572 ? 40.844 -13.626 8.954 1.00 16.61 0 A 1 ATOM 460 C CG . ARG A 1 572 ? 41.272 -12.200 9.236 1.00 21.71 0 A 1 ATOM 461 C CD . ARG A 1 572 ? 40.077 -11.289 9.287 1.00 20.67 0 A 1 ATOM 462 N NE . ARG A 1 572 ? 39.256 -11.369 8.077 1.00 25.01 0 A 1 ATOM 463 C CZ . ARG A 1 572 ? 39.364 -10.557 7.031 1.00 40.51 0 A 1 ATOM 464 N NH1 . ARG A 1 572 ? 40.262 -9.576 7.030 1.00 30.90 0 A 1 ATOM 465 N NH2 . ARG A 1 572 ? 38.549 -10.691 5.997 1.00 28.17 0 A 1 ATOM 466 N N . ASP A 1 573 ? 43.276 -14.147 11.215 1.00 16.65 0 A 1 ATOM 467 C CA . ASP A 1 573 ? 43.627 -13.973 12.601 1.00 15.93 0 A 1 ATOM 468 C C . ASP A 1 573 ? 42.825 -12.781 13.130 1.00 18.63 0 A 1 ATOM 469 O O . ASP A 1 573 ? 42.991 -11.650 12.653 1.00 20.86 0 A 1 ATOM 470 C CB . ASP A 1 573 ? 45.147 -13.701 12.680 1.00 18.31 0 A 1 ATOM 471 C CG . ASP A 1 573 ? 45.695 -13.441 14.060 1.00 25.64 0 A 1 ATOM 472 O OD1 . ASP A 1 573 ? 44.899 -13.402 15.022 1.00 22.14 0 A 1 ATOM 473 O OD2 . ASP A 1 573 ? 46.917 -13.214 14.174 1.00 33.63 0 A 1 ATOM 474 N N . ILE A 1 574 ? 41.992 -13.018 14.128 1.00 14.44 0 A 1 ATOM 475 C CA . ILE A 1 574 ? 41.126 -11.958 14.668 1.00 14.49 0 A 1 ATOM 476 C C . ILE A 1 574 ? 41.587 -11.303 15.973 1.00 18.07 0 A 1 ATOM 477 O O . ILE A 1 574 ? 40.819 -10.560 16.581 1.00 17.45 0 A 1 ATOM 478 C CB . ILE A 1 574 ? 39.675 -12.497 14.786 1.00 16.17 0 A 1 ATOM 479 C CG1 . ILE A 1 574 ? 39.618 -13.739 15.727 1.00 17.06 0 A 1 ATOM 480 C CG2 . ILE A 1 574 ? 39.093 -12.768 13.389 1.00 19.78 0 A 1 ATOM 481 C CD1 . ILE A 1 574 ? 38.226 -14.068 16.244 1.00 20.69 0 A 1 ATOM 482 N N . ALA A 1 575 ? 42.821 -11.567 16.419 1.00 17.99 0 A 1 ATOM 483 C CA . ALA A 1 575 ? 43.298 -11.049 17.711 1.00 19.03 0 A 1 ATOM 484 C C . ALA A 1 575 ? 43.153 -9.561 17.970 1.00 23.11 0 A 1 ATOM 485 O O . ALA A 1 575 ? 42.893 -9.161 19.105 1.00 26.10 0 A 1 ATOM 486 C CB . ALA A 1 575 ? 44.744 -11.485 17.942 1.00 20.98 0 A 1 ATOM 487 N N . LEU A . 576 ? 43.336 -8.726 16.960 1.00 0.00 0 A 1 ATOM 488 C CA . LEU A . 576 ? 43.327 -7.290 17.224 1.00 0.00 0 A 1 ATOM 489 C C . LEU A . 576 ? 42.005 -6.677 16.829 1.00 0.00 0 A 1 ATOM 490 O O . LEU A . 576 ? 41.875 -5.430 16.878 1.00 0.00 0 A 1 ATOM 491 C CB . LEU A . 576 ? 44.505 -6.592 16.488 1.00 0.00 0 A 1 ATOM 492 C CG . LEU A . 576 ? 45.952 -7.022 16.853 1.00 0.00 0 A 1 ATOM 493 C CD1 . LEU A . 576 ? 46.962 -6.292 15.956 1.00 0.00 0 A 1 ATOM 494 C CD2 . LEU A . 576 ? 46.292 -6.765 18.331 1.00 0.00 0 A 1 ATOM 495 N N . HIS A 1 577 ? 41.007 -7.495 16.476 1.00 13.65 0 A 1 ATOM 496 C CA . HIS A 1 577 ? 39.733 -7.025 15.992 1.00 12.91 0 A 1 ATOM 497 C C . HIS A 1 577 ? 38.696 -6.880 17.078 1.00 13.23 0 A 1 ATOM 498 O O . HIS A 1 577 ? 38.682 -7.635 18.057 1.00 13.34 0 A 1 ATOM 499 C CB . HIS A 1 577 ? 39.204 -7.953 14.878 1.00 13.20 0 A 1 ATOM 500 C CG . HIS A 1 577 ? 39.982 -7.854 13.602 1.00 16.41 0 A 1 ATOM 501 C CD2 . HIS A 1 577 ? 39.949 -6.901 12.645 1.00 19.13 0 A 1 ATOM 502 N ND1 . HIS A 1 577 ? 40.869 -8.847 13.219 1.00 20.54 0 A 1 ATOM 503 C CE1 . HIS A 1 577 ? 41.396 -8.434 12.071 1.00 20.30 0 A 1 ATOM 504 N NE2 . HIS A 1 577 ? 40.850 -7.294 11.667 1.00 20.23 0 A 1 ATOM 505 N N . THR A 1 578 ? 37.833 -5.874 16.902 1.00 11.17 0 A 1 ATOM 506 C CA . THR A 1 578 ? 36.792 -5.683 17.893 1.00 10.94 0 A 1 ATOM 507 C C . THR A 1 578 ? 35.752 -6.791 17.748 1.00 11.55 0 A 1 ATOM 508 O O . THR A 1 578 ? 35.656 -7.484 16.715 1.00 10.99 0 A 1 ATOM 509 C CB . THR A 1 578 ? 36.081 -4.349 17.678 1.00 11.54 0 A 1 ATOM 510 C CG2 . THR A 1 578 ? 37.011 -3.155 17.723 1.00 11.62 0 A 1 ATOM 511 O OG1 . THR A 1 578 ? 35.315 -4.402 16.462 1.00 12.62 0 A 1 ATOM 512 N N . HIS A 1 579 ? 34.879 -6.877 18.760 1.00 9.91 0 A 1 ATOM 513 C CA . HIS A 1 579 ? 33.764 -7.798 18.734 1.00 9.13 0 A 1 ATOM 514 C C . HIS A 1 579 ? 32.940 -7.633 17.451 1.00 10.33 0 A 1 ATOM 515 O O . HIS A 1 579 ? 32.620 -8.638 16.803 1.00 9.53 0 A 1 ATOM 516 C CB . HIS A 1 579 ? 32.856 -7.502 19.951 1.00 9.33 0 A 1 ATOM 517 C CG . HIS A 1 579 ? 31.687 -8.424 20.119 1.00 9.54 0 A 1 ATOM 518 C CD2 . HIS A 1 579 ? 30.452 -8.364 19.566 1.00 10.44 0 A 1 ATOM 519 N ND1 . HIS A 1 579 ? 31.751 -9.541 20.934 1.00 9.89 0 A 1 ATOM 520 C CE1 . HIS A 1 579 ? 30.547 -10.114 20.865 1.00 8.86 0 A 1 ATOM 521 N NE2 . HIS A 1 579 ? 29.730 -9.432 20.069 1.00 9.08 0 A 1 ATOM 522 N N . ASP A 1 580 ? 32.498 -6.397 17.140 1.00 10.04 0 A 1 ATOM 523 C CA . ASP A 1 580 ? 31.639 -6.218 15.976 1.00 8.97 0 A 1 ATOM 524 C C . ASP A 1 580 ? 32.392 -6.467 14.668 1.00 11.39 0 A 1 ATOM 525 O O . ASP A 1 580 ? 31.754 -6.886 13.693 1.00 10.25 0 A 1 ATOM 526 C CB . ASP A 1 580 ? 30.960 -4.859 16.015 1.00 10.04 0 A 1 ATOM 527 C CG . ASP A 1 580 ? 29.845 -4.731 17.049 1.00 9.76 0 A 1 ATOM 528 O OD1 . ASP A 1 580 ? 29.471 -5.771 17.684 1.00 9.56 0 A 1 ATOM 529 O OD2 . ASP A 1 580 ? 29.344 -3.601 17.227 1.00 12.52 0 A 1 ATOM 530 N N . GLN A 1 581 ? 33.705 -6.248 14.634 1.00 10.25 0 A 1 ATOM 531 C CA . GLN A 1 581 ? 34.468 -6.595 13.429 1.00 10.53 0 A 1 ATOM 532 C C . GLN A 1 581 ? 34.443 -8.099 13.220 1.00 12.97 0 A 1 ATOM 533 O O . GLN A 1 581 ? 34.241 -8.562 12.081 1.00 12.63 0 A 1 ATOM 534 C CB . GLN A 1 581 ? 35.891 -6.100 13.545 1.00 12.17 0 A 1 ATOM 535 C CG . GLN A 1 581 ? 35.994 -4.611 13.224 1.00 12.27 0 A 1 ATOM 536 C CD . GLN A 1 581 ? 37.303 -4.003 13.636 1.00 16.95 0 A 1 ATOM 537 N NE2 . GLN A 1 581 ? 37.426 -2.701 13.406 1.00 24.40 0 A 1 ATOM 538 O OE1 . GLN A 1 581 ? 38.142 -4.607 14.290 1.00 14.66 0 A 1 ATOM 539 N N . VAL A 1 582 ? 34.533 -8.861 14.328 1.00 9.71 0 A 1 ATOM 540 C CA . VAL A 1 582 ? 34.458 -10.334 14.303 1.00 9.93 0 A 1 ATOM 541 C C . VAL A 1 582 ? 33.082 -10.774 13.852 1.00 10.72 0 A 1 ATOM 542 O O . VAL A 1 582 ? 32.963 -11.725 13.057 1.00 10.82 0 A 1 ATOM 543 C CB . VAL A 1 582 ? 34.846 -10.879 15.701 1.00 11.44 0 A 1 ATOM 544 C CG1 . VAL A 1 582 ? 34.421 -12.340 15.884 1.00 12.12 0 A 1 ATOM 545 C CG2 . VAL A 1 582 ? 36.354 -10.739 15.912 1.00 12.60 0 A 1 ATOM 546 N N . VAL A 1 583 ? 31.999 -10.130 14.337 1.00 9.08 0 A 1 ATOM 547 C CA . VAL A 1 583 ? 30.662 -10.460 13.889 1.00 8.48 0 A 1 ATOM 548 C C . VAL A 1 583 ? 30.542 -10.271 12.369 1.00 11.30 0 A 1 ATOM 549 O O . VAL A 1 583 ? 30.017 -11.186 11.693 1.00 10.05 0 A 1 ATOM 550 C CB . VAL A 1 583 ? 29.608 -9.631 14.669 1.00 9.89 0 A 1 ATOM 551 C CG1 . VAL A 1 583 ? 28.208 -9.718 14.046 1.00 10.25 0 A 1 ATOM 552 C CG2 . VAL A 1 583 ? 29.589 -10.052 16.123 1.00 9.80 0 A 1 ATOM 553 N N . LEU A 1 584 ? 31.063 -9.154 11.834 1.00 10.75 0 A 1 ATOM 554 C CA . LEU A 1 584 ? 30.946 -8.980 10.379 1.00 10.39 0 A 1 ATOM 555 C C . LEU A 1 584 ? 31.757 -10.059 9.649 1.00 12.32 0 A 1 ATOM 556 O O . LEU A 1 584 ? 31.275 -10.575 8.631 1.00 12.28 0 A 1 ATOM 557 C CB . LEU A 1 584 ? 31.406 -7.581 9.964 1.00 11.32 0 A 1 ATOM 558 C CG . LEU A 1 584 ? 31.162 -7.242 8.450 1.00 14.96 0 A 1 ATOM 559 C CD1 . LEU A 1 584 ? 29.714 -7.476 8.057 1.00 16.09 0 A 1 ATOM 560 C CD2 . LEU A 1 584 ? 31.579 -5.823 8.140 1.00 17.78 0 A 1 ATOM 561 N N . PHE A 1 585 ? 32.958 -10.431 10.143 1.00 10.28 0 A 1 ATOM 562 C CA . PHE A 1 585 ? 33.700 -11.504 9.460 1.00 10.04 0 A 1 ATOM 563 C C . PHE A 1 585 ? 32.866 -12.793 9.444 1.00 11.16 0 A 1 ATOM 564 O O . PHE A 1 585 ? 32.843 -13.504 8.419 1.00 10.97 0 A 1 ATOM 565 C CB . PHE A 1 585 ? 35.000 -11.812 10.189 1.00 11.22 0 A 1 ATOM 566 C CG . PHE A 1 585 ? 36.010 -10.702 10.089 1.00 12.78 0 A 1 ATOM 567 C CD1 . PHE A 1 585 ? 36.102 -9.916 8.935 1.00 16.72 0 A 1 ATOM 568 C CD2 . PHE A 1 585 ? 36.867 -10.433 11.141 1.00 16.38 0 A 1 ATOM 569 C CE1 . PHE A 1 585 ? 37.053 -8.889 8.834 1.00 19.79 0 A 1 ATOM 570 C CE2 . PHE A 1 585 ? 37.797 -9.395 11.050 1.00 19.54 0 A 1 ATOM 571 C CZ . PHE A 1 585 ? 37.870 -8.622 9.902 1.00 18.30 0 A 1 ATOM 572 N N . ILE A 1 586 ? 32.152 -13.098 10.536 1.00 9.75 0 A 1 ATOM 573 C CA . ILE A 1 586 ? 31.315 -14.299 10.503 1.00 8.98 0 A 1 ATOM 574 C C . ILE A 1 586 ? 30.207 -14.184 9.457 1.00 11.02 0 A 1 ATOM 575 O O . ILE A 1 586 ? 29.849 -15.179 8.831 1.00 12.39 0 A 1 ATOM 576 C CB . ILE A 1 586 ? 30.749 -14.559 11.927 1.00 10.26 0 A 1 ATOM 577 C CG1 . ILE A 1 586 ? 31.929 -14.983 12.866 1.00 10.96 0 A 1 ATOM 578 C CG2 . ILE A 1 586 ? 29.659 -15.675 11.927 1.00 11.73 0 A 1 ATOM 579 C CD1 . ILE A 1 586 ? 31.630 -14.901 14.382 1.00 10.35 0 A 1 ATOM 580 N N . LYS A 1 587 ? 29.655 -12.990 9.303 1.00 9.45 0 A 1 ATOM 581 C CA . LYS A 1 587 ? 28.556 -12.760 8.357 1.00 10.76 0 A 1 ATOM 582 C C . LYS A 1 587 ? 29.060 -12.501 6.938 1.00 13.70 0 A 1 ATOM 583 O O . LYS A 1 587 ? 28.231 -12.358 6.023 1.00 14.15 0 A 1 ATOM 584 C CB . LYS A 1 587 ? 27.669 -11.621 8.880 1.00 13.99 0 A 1 ATOM 585 C CG . LYS A 1 587 ? 27.058 -12.015 10.225 1.00 15.81 0 A 1 ATOM 586 C CD . LYS A 1 587 ? 25.979 -11.056 10.725 1.00 20.59 0 A 1 ATOM 587 C CE . LYS A 1 587 ? 24.658 -11.241 9.993 1.00 20.24 0 A 1 ATOM 588 N NZ . LYS A 1 587 ? 23.549 -10.566 10.742 1.00 25.16 0 A 1 ATOM 589 N N . ALA A 1 588 ? 30.385 -12.442 6.720 1.00 12.54 0 A 1 ATOM 590 C CA . ALA A 1 588 ? 30.931 -12.159 5.378 1.00 12.81 0 A 1 ATOM 591 C C . ALA A 1 588 ? 30.868 -13.441 4.550 1.00 12.90 0 A 1 ATOM 592 O O . ALA A 1 588 ? 31.809 -14.229 4.494 1.00 13.85 0 A 1 ATOM 593 C CB . ALA A 1 588 ? 32.368 -11.660 5.491 1.00 14.38 0 A 1 ATOM 594 N N . SER A 1 589 ? 29.702 -13.663 3.932 1.00 12.10 0 A 1 ATOM 595 C CA . SER A 1 589 ? 29.457 -14.897 3.188 1.00 10.34 0 A 1 ATOM 596 C C . SER A 1 589 ? 30.433 -15.215 2.050 1.00 14.76 0 A 1 ATOM 597 O O . SER A 1 589 ? 30.655 -16.383 1.736 1.00 14.66 0 A 1 ATOM 598 C CB . SER A 1 589 ? 28.022 -14.930 2.662 1.00 11.97 0 A 1 ATOM 599 O OG . SER A 1 589 ? 27.885 -13.959 1.631 1.00 15.04 0 A 1 ATOM 600 N N . CYS A 1 590 ? 31.007 -14.189 1.415 1.00 13.51 0 A 1 ATOM 601 C CA . CYS A 1 590 ? 31.928 -14.436 0.306 1.00 14.19 0 A 1 ATOM 602 C C . CYS A 1 590 ? 33.328 -14.855 0.710 1.00 17.31 0 A 1 ATOM 603 O O . CYS A 1 590 ? 34.141 -15.203 -0.142 1.00 18.04 0 A 1 ATOM 604 C CB . CYS A 1 590 ? 31.937 -13.272 -0.675 1.00 15.31 0 A 1 ATOM 605 S SG . CYS A 1 590 ? 30.323 -13.005 -1.460 1.00 19.36 0 A 1 ATOM 606 N N . GLU A 1 591 ? 33.628 -14.804 2.026 1.00 14.12 0 A 1 ATOM 607 C CA . GLU A 1 591 ? 34.919 -15.232 2.569 1.00 13.81 0 A 1 ATOM 608 C C . GLU A 1 591 ? 34.868 -16.683 2.987 1.00 15.21 0 A 1 ATOM 609 O O . GLU A 1 591 ? 35.865 -17.233 3.441 1.00 15.01 0 A 1 ATOM 610 C CB . GLU A 1 591 ? 35.321 -14.339 3.734 1.00 15.28 0 A 1 ATOM 611 C CG . GLU A 1 591 ? 35.489 -12.909 3.276 1.00 17.17 0 A 1 ATOM 612 C CD . GLU A 1 591 ? 35.823 -11.878 4.334 1.00 21.32 0 A 1 ATOM 613 O OE1 . GLU A 1 591 ? 36.252 -12.266 5.447 1.00 21.61 0 A 1 ATOM 614 O OE2 . GLU A 1 591 ? 35.676 -10.676 4.030 1.00 19.93 0 A 1 ATOM 615 N N . ARG A 1 592 ? 33.703 -17.334 2.789 1.00 14.93 0 A 1 ATOM 616 C CA . ARG A 1 592 ? 33.543 -18.734 3.094 1.00 14.99 0 A 1 ATOM 617 C C . ARG A 1 592 ? 34.063 -19.533 1.920 1.00 25.06 0 A 1 ATOM 618 O O . ARG A 1 592 ? 34.051 -19.051 0.791 1.00 29.19 0 A 1 ATOM 619 C CB . ARG A 1 592 ? 32.054 -19.036 3.333 1.00 13.06 0 A 1 ATOM 620 C CG . ARG A 1 592 ? 31.527 -18.293 4.554 1.00 13.20 0 A 1 ATOM 621 C CD . ARG A 1 592 ? 30.051 -18.492 4.792 1.00 12.87 0 A 1 ATOM 622 N NE . ARG A 1 592 ? 29.580 -17.549 5.801 1.00 11.22 0 A 1 ATOM 623 C CZ . ARG A 1 592 ? 28.311 -17.156 5.947 1.00 11.58 0 A 1 ATOM 624 N NH1 . ARG A 1 592 ? 27.351 -17.654 5.157 1.00 11.91 0 A 1 ATOM 625 N NH2 . ARG A 1 592 ? 28.003 -16.206 6.820 1.00 10.70 0 A 1 ATOM 626 N N . HIS A 1 593 ? 34.538 -20.726 2.179 1.00 22.60 0 A 1 ATOM 627 C CA . HIS A 1 593 ? 34.988 -21.595 1.100 1.00 23.03 0 A 1 ATOM 628 C C . HIS A 1 593 ? 33.923 -22.658 0.913 1.00 25.40 0 A 1 ATOM 629 O O . HIS A 1 593 ? 33.550 -23.369 1.852 1.00 23.04 0 A 1 ATOM 630 C CB . HIS A 1 593 ? 36.374 -22.182 1.376 1.00 24.56 0 A 1 ATOM 631 N N . SER A 1 594 ? 33.378 -22.727 -0.310 1.00 24.19 0 A 1 ATOM 632 C CA . SER A 1 594 ? 32.309 -23.665 -0.673 1.00 24.13 0 A 1 ATOM 633 C C . SER A 1 594 ? 31.074 -23.499 0.240 1.00 24.15 0 A 1 ATOM 634 O O . SER A 1 594 ? 30.391 -24.476 0.553 1.00 23.45 0 A 1 ATOM 635 C CB . SER A 1 594 ? 32.825 -25.103 -0.692 1.00 30.35 0 A 1 ATOM 636 O OG . SER A 1 594 ? 34.010 -25.174 -1.468 1.00 42.72 0 A 1 ATOM 637 N N . GLY A 1 595 ? 30.832 -22.253 0.673 1.00 19.57 0 A 1 ATOM 638 C CA . GLY A 1 595 ? 29.688 -21.881 1.500 1.00 18.46 0 A 1 ATOM 639 C C . GLY A 1 595 ? 29.865 -22.185 2.978 1.00 18.94 0 A 1 ATOM 640 O O . GLY A 1 595 ? 28.949 -21.933 3.755 1.00 17.18 0 A 1 ATOM 641 N N . GLU A 1 596 ? 31.026 -22.711 3.378 1.00 16.28 0 A 1 ATOM 642 C CA . GLU A 1 596 ? 31.238 -23.078 4.776 1.00 14.64 0 A 1 ATOM 643 C C . GLU A 1 596 ? 32.015 -22.028 5.524 1.00 14.32 0 A 1 ATOM 644 O O . GLU A 1 596 ? 33.083 -21.563 5.065 1.00 14.77 0 A 1 ATOM 645 C CB . GLU A 1 596 ? 32.042 -24.383 4.880 1.00 16.09 0 A 1 ATOM 646 C CG . GLU A 1 596 ? 31.267 -25.608 4.444 1.00 22.47 0 A 1 ATOM 647 C CD . GLU A 1 596 ? 32.114 -26.850 4.291 1.00 32.90 0 A 1 ATOM 648 O OE1 . GLU A 1 596 ? 33.279 -26.729 3.850 1.00 31.21 0 A 1 ATOM 649 O OE2 . GLU A 1 596 ? 31.610 -27.945 4.622 1.00 40.64 0 A 1 ATOM 650 N N . LEU A 1 597 ? 31.455 -21.613 6.652 1.00 10.01 0 A 1 ATOM 651 C CA . LEU A 1 597 ? 32.188 -20.811 7.607 1.00 9.67 0 A 1 ATOM 652 C C . LEU A 1 597 ? 33.258 -21.738 8.237 1.00 11.76 0 A 1 ATOM 653 O O . LEU A 1 597 ? 32.940 -22.851 8.665 1.00 12.01 0 A 1 ATOM 654 C CB . LEU A 1 597 ? 31.242 -20.341 8.716 1.00 9.45 0 A 1 ATOM 655 C CG . LEU A 1 597 ? 31.895 -19.665 9.944 1.00 11.17 0 A 1 ATOM 656 C CD1 . LEU A 1 597 ? 32.424 -18.288 9.575 1.00 11.13 0 A 1 ATOM 657 C CD2 . LEU A 1 597 ? 30.905 -19.556 11.065 1.00 10.65 0 A 1 ATOM 658 N N . MET A 1 598 ? 34.510 -21.287 8.245 1.00 11.12 0 A 1 ATOM 659 C CA . MET A 1 598 ? 35.601 -22.035 8.848 1.00 11.88 0 A 1 ATOM 660 C C . MET A 1 598 ? 36.000 -21.335 10.145 1.00 14.51 0 A 1 ATOM 661 O O . MET A 1 598 ? 36.263 -20.115 10.153 1.00 16.02 0 A 1 ATOM 662 C CB . MET A 1 598 ? 36.809 -22.022 7.873 1.00 16.17 0 A 1 ATOM 663 C CG . MET A 1 598 ? 38.033 -22.747 8.391 1.00 23.82 0 A 1 ATOM 664 S SD . MET A 1 598 ? 39.633 -21.870 8.146 1.00 34.28 0 A 1 ATOM 665 C CE . MET A 1 598 ? 39.550 -20.786 9.669 1.00 28.10 0 A 1 ATOM 666 N N . LEU A 1 599 ? 35.993 -22.074 11.252 1.00 11.24 0 A 1 ATOM 667 C CA . LEU A 1 599 ? 36.487 -21.543 12.516 1.00 10.35 0 A 1 ATOM 668 C C . LEU A 1 599 ? 37.627 -22.410 12.961 1.00 11.40 0 A 1 ATOM 669 O O . LEU A 1 599 ? 37.523 -23.656 12.927 1.00 13.66 0 A 1 ATOM 670 C CB . LEU A 1 599 ? 35.433 -21.584 13.642 1.00 10.55 0 A 1 ATOM 671 C CG . LEU A 1 599 ? 34.139 -20.832 13.321 1.00 11.70 0 A 1 ATOM 672 C CD1 . LEU A 1 599 ? 33.141 -20.971 14.481 1.00 12.81 0 A 1 ATOM 673 C CD2 . LEU A 1 599 ? 34.417 -19.330 13.110 1.00 13.61 0 A 1 ATOM 674 N N . LEU A 1 600 ? 38.727 -21.784 13.405 1.00 9.43 0 A 1 ATOM 675 C CA . LEU A 1 600 ? 39.821 -22.525 14.039 1.00 9.72 0 A 1 ATOM 676 C C . LEU A 1 600 ? 39.680 -22.150 15.506 1.00 11.37 0 A 1 ATOM 677 O O . LEU A 1 600 ? 39.726 -20.962 15.811 1.00 10.61 0 A 1 ATOM 678 C CB . LEU A 1 600 ? 41.199 -22.149 13.472 1.00 10.77 0 A 1 ATOM 679 C CG . LEU A 1 600 ? 42.323 -22.945 14.109 1.00 12.18 0 A 1 ATOM 680 C CD1 . LEU A 1 600 ? 42.214 -24.429 13.795 1.00 12.42 0 A 1 ATOM 681 C CD2 . LEU A 1 600 ? 43.665 -22.423 13.659 1.00 13.55 0 A 1 ATOM 682 N N . VAL A 1 601 ? 39.410 -23.144 16.381 1.00 9.99 0 A 1 ATOM 683 C CA . VAL A 1 601 ? 39.162 -22.839 17.792 1.00 9.76 0 A 1 ATOM 684 C C . VAL A 1 601 ? 40.062 -23.619 18.721 1.00 11.40 0 A 1 ATOM 685 O O . VAL A 1 601 ? 40.628 -24.661 18.353 1.00 11.40 0 A 1 ATOM 686 C CB . VAL A 1 601 ? 37.665 -23.123 18.153 1.00 11.20 0 A 1 ATOM 687 C CG1 . VAL A 1 601 ? 36.713 -22.374 17.227 1.00 11.00 0 A 1 ATOM 688 C CG2 . VAL A 1 601 ? 37.356 -24.623 18.129 1.00 10.98 0 A 1 ATOM 689 N N . ARG A 1 602 ? 40.217 -23.095 19.959 1.00 10.84 0 A 1 ATOM 690 C CA . ARG A 1 602 ? 40.937 -23.789 21.000 1.00 11.15 0 A 1 ATOM 691 C C . ARG A 1 602 ? 39.906 -24.210 22.049 1.00 14.34 0 A 1 ATOM 692 O O . ARG A 1 602 ? 39.321 -23.333 22.728 1.00 13.35 0 A 1 ATOM 693 C CB . ARG A 1 602 ? 42.008 -22.872 21.602 1.00 13.46 0 A 1 ATOM 694 C CG . ARG A 1 602 ? 42.900 -23.611 22.602 1.00 22.78 0 A 1 ATOM 695 C CD . ARG A 1 602 ? 43.952 -22.680 23.178 1.00 32.84 0 A 1 ATOM 696 N NE . ARG A 1 602 ? 45.042 -22.450 22.229 1.00 42.06 0 A 1 ATOM 697 C CZ . ARG A 1 602 ? 45.233 -21.326 21.545 1.00 49.96 0 A 1 ATOM 698 N NH1 . ARG A 1 602 ? 44.410 -20.294 21.703 1.00 42.02 0 A 1 ATOM 699 N NH2 . ARG A 1 602 ? 46.249 -21.224 20.698 1.00 27.36 0 A 1 ATOM 700 N N . PRO A 1 603 ? 39.674 -25.522 22.230 1.00 13.78 0 A 1 ATOM 701 C CA . PRO A 1 603 ? 38.748 -25.953 23.306 1.00 14.78 0 A 1 ATOM 702 C C . PRO A 1 603 ? 39.234 -25.464 24.687 1.00 18.70 0 A 1 ATOM 703 O O . PRO A 1 603 ? 40.436 -25.290 24.894 1.00 19.79 0 A 1 ATOM 704 C CB . PRO A 1 603 ? 38.839 -27.485 23.241 1.00 17.96 0 A 1 ATOM 705 C CG . PRO A 1 603 ? 39.217 -27.777 21.815 1.00 21.38 0 A 1 ATOM 706 C CD . PRO A 1 603 ? 40.228 -26.681 21.504 1.00 15.93 0 A 1 ATOM 707 N N . ASN A 1 604 ? 38.285 -25.228 25.634 1.00 20.16 0 A 1 ATOM 708 C CA . ASN A 1 604 ? 38.602 -24.751 26.993 1.00 34.42 0 A 1 ATOM 709 C C . ASN A 1 604 ? 39.311 -25.807 27.824 1.00 58.61 0 A 1 ATOM 710 O O . ASN A 1 604 ? 39.149 -26.989 27.546 1.00 37.43 0 A 1 ATOM 711 C CB . ASN A 1 604 ? 37.347 -24.226 27.722 1.00 35.76 0 A 1 ATOM 712 C CG . ASN A 1 604 ? 36.227 -25.216 27.992 1.00 57.59 0 A 1 ATOM 713 N ND2 . ASN A 1 604 ? 35.181 -24.742 28.657 1.00 43.75 0 A 1 ATOM 714 O OD1 . ASN A 1 604 ? 36.245 -26.381 27.573 1.00 57.34 0 A 1 ATOM 715 N N . HIS B 1 512 ? 14.759 6.234 -11.681 1.00 32.35 0 B 1 ATOM 716 C CA . HIS B 1 512 ? 14.574 4.793 -11.858 1.00 31.28 0 B 1 ATOM 717 C C . HIS B 1 512 ? 14.513 4.372 -13.347 1.00 31.55 0 B 1 ATOM 718 O O . HIS B 1 512 ? 13.931 3.349 -13.705 1.00 28.40 0 B 1 ATOM 719 C CB . HIS B 1 512 ? 13.385 4.271 -11.025 1.00 32.92 0 B 1 ATOM 720 C CG . HIS B 1 512 ? 13.629 4.278 -9.545 1.00 35.98 0 B 1 ATOM 721 C CD2 . HIS B 1 512 ? 14.786 4.143 -8.852 1.00 36.16 0 B 1 ATOM 722 N ND1 . HIS B 1 512 ? 12.585 4.439 -8.644 1.00 39.38 0 B 1 ATOM 723 C CE1 . HIS B 1 512 ? 13.138 4.392 -7.441 1.00 37.98 0 B 1 ATOM 724 N NE2 . HIS B 1 512 ? 14.457 4.211 -7.513 1.00 36.60 0 B 1 ATOM 725 N N . ASP B 1 513 ? 15.147 5.167 -14.210 1.00 27.71 0 B 1 ATOM 726 C CA . ASP B 1 513 ? 15.305 4.849 -15.634 1.00 27.43 0 B 1 ATOM 727 C C . ASP B 1 513 ? 16.800 4.986 -15.970 1.00 27.52 0 B 1 ATOM 728 O O . ASP B 1 513 ? 17.573 5.427 -15.108 1.00 25.53 0 B 1 ATOM 729 C CB . ASP B 1 513 ? 14.407 5.696 -16.550 1.00 31.01 0 B 1 ATOM 730 C CG . ASP B 1 513 ? 14.569 7.202 -16.453 1.00 37.79 0 B 1 ATOM 731 O OD1 . ASP B 1 513 ? 13.810 7.918 -17.130 1.00 39.65 0 B 1 ATOM 732 O OD2 . ASP B 1 513 ? 15.458 7.664 -15.692 1.00 36.78 0 B 1 ATOM 733 N N . ASN B 1 514 ? 17.219 4.543 -17.180 1.00 23.56 0 B 1 ATOM 734 C CA . ASN B 1 514 ? 18.622 4.559 -17.627 1.00 22.50 0 B 1 ATOM 735 C C . ASN B 1 514 ? 19.517 3.758 -16.665 1.00 23.09 0 B 1 ATOM 736 O O . ASN B 1 514 ? 20.689 4.048 -16.484 1.00 22.49 0 B 1 ATOM 737 C CB . ASN B 1 514 ? 19.121 5.997 -17.848 1.00 29.02 0 B 1 ATOM 738 C CG . ASN B 1 514 ? 20.391 6.096 -18.654 1.00 62.98 0 B 1 ATOM 739 N ND2 . ASN B 1 514 ? 21.495 6.393 -17.977 1.00 54.69 0 B 1 ATOM 740 O OD1 . ASN B 1 514 ? 20.400 5.912 -19.878 1.00 61.68 0 B 1 ATOM 741 N N . LEU B 1 515 ? 18.952 2.737 -16.046 1.00 16.73 0 B 1 ATOM 742 C CA . LEU B 1 515 ? 19.711 1.978 -15.087 1.00 14.87 0 B 1 ATOM 743 C C . LEU B 1 515 ? 20.549 0.889 -15.748 1.00 16.84 0 B 1 ATOM 744 O O . LEU B 1 515 ? 20.237 0.478 -16.866 1.00 16.45 0 B 1 ATOM 745 C CB . LEU B 1 515 ? 18.738 1.393 -14.064 1.00 15.31 0 B 1 ATOM 746 C CG . LEU B 1 515 ? 17.828 2.404 -13.392 1.00 19.47 0 B 1 ATOM 747 C CD1 . LEU B 1 515 ? 16.841 1.696 -12.475 1.00 22.63 0 B 1 ATOM 748 C CD2 . LEU B 1 515 ? 18.645 3.416 -12.548 1.00 20.83 0 B 1 ATOM 749 N N . VAL B 1 516 ? 21.620 0.449 -15.062 1.00 14.58 0 B 1 ATOM 750 C CA . VAL B 1 516 ? 22.544 -0.560 -15.554 1.00 15.55 0 B 1 ATOM 751 C C . VAL B 1 516 ? 22.686 -1.649 -14.511 1.00 17.34 0 B 1 ATOM 752 O O . VAL B 1 516 ? 22.863 -1.364 -13.314 1.00 14.50 0 B 1 ATOM 753 C CB . VAL B 1 516 ? 23.915 0.087 -15.893 1.00 19.14 0 B 1 ATOM 754 C CG1 . VAL B 1 516 ? 24.912 -0.954 -16.394 1.00 19.80 0 B 1 ATOM 755 C CG2 . VAL B 1 516 ? 23.757 1.201 -16.937 1.00 19.85 0 B 1 ATOM 756 N N . LEU B 1 517 ? 22.575 -2.903 -14.969 1.00 16.47 0 B 1 ATOM 757 C CA . LEU B 1 517 ? 22.684 -4.084 -14.133 1.00 16.83 0 B 1 ATOM 758 C C . LEU B 1 517 ? 24.113 -4.599 -14.198 1.00 18.03 0 B 1 ATOM 759 O O . LEU B 1 517 ? 24.633 -4.894 -15.282 1.00 18.32 0 B 1 ATOM 760 C CB . LEU B 1 517 ? 21.641 -5.132 -14.584 1.00 18.53 0 B 1 ATOM 761 C CG . LEU B 1 517 ? 21.353 -6.261 -13.629 1.00 23.25 0 B 1 ATOM 762 C CD1 . LEU B 1 517 ? 20.923 -5.759 -12.255 1.00 23.83 0 B 1 ATOM 763 C CD2 . LEU B 1 517 ? 20.279 -7.165 -14.209 1.00 26.95 0 B 1 ATOM 764 N N . ILE B 1 518 ? 24.781 -4.595 -13.044 1.00 16.10 0 B 1 ATOM 765 C CA . ILE B 1 518 ? 26.177 -5.015 -12.920 1.00 16.00 0 B 1 ATOM 766 C C . ILE B 1 518 ? 26.223 -6.332 -12.145 1.00 17.64 0 B 1 ATOM 767 O O . ILE B 1 518 ? 25.511 -6.505 -11.144 1.00 18.15 0 B 1 ATOM 768 C CB . ILE B 1 518 ? 26.974 -3.894 -12.212 1.00 20.00 0 B 1 ATOM 769 C CG1 . ILE B 1 518 ? 26.940 -2.602 -13.055 1.00 22.67 0 B 1 ATOM 770 C CG2 . ILE B 1 518 ? 28.441 -4.308 -11.921 1.00 22.16 0 B 1 ATOM 771 C CD1 . ILE B 1 518 ? 27.235 -1.489 -12.376 1.00 32.08 0 B 1 ATOM 772 N N . ARG B 1 519 ? 27.037 -7.264 -12.624 1.00 16.18 0 B 1 ATOM 773 C CA . ARG B 1 519 ? 27.204 -8.558 -11.978 1.00 16.88 0 B 1 ATOM 774 C C . ARG B 1 519 ? 28.678 -8.836 -11.824 1.00 17.17 0 B 1 ATOM 775 O O . ARG B 1 519 ? 29.449 -8.646 -12.768 1.00 17.30 0 B 1 ATOM 776 C CB . ARG B 1 519 ? 26.548 -9.666 -12.815 1.00 21.72 0 B 1 ATOM 777 C CG . ARG B 1 519 ? 25.068 -9.850 -12.479 1.00 38.95 0 B 1 ATOM 778 C CD . ARG B 1 519 ? 24.366 -10.812 -13.420 1.00 54.48 0 B 1 ATOM 779 N NE . ARG B 1 519 ? 24.037 -10.185 -14.701 1.00 66.20 0 B 1 ATOM 780 C CZ . ARG B 1 519 ? 22.800 -9.984 -15.151 1.00 80.75 0 B 1 ATOM 781 N NH1 . ARG B 1 519 ? 21.752 -10.367 -14.430 1.00 64.74 0 B 1 ATOM 782 N NH2 . ARG B 1 519 ? 22.602 -9.408 -16.329 1.00 68.63 0 B 1 ATOM 783 N N . MET B 1 520 ? 29.086 -9.259 -10.635 1.00 14.12 0 B 1 ATOM 784 C CA . MET B 1 520 ? 30.491 -9.566 -10.387 1.00 13.54 0 B 1 ATOM 785 C C . MET B 1 520 ? 30.646 -10.661 -9.377 1.00 16.05 0 B 1 ATOM 786 O O . MET B 1 520 ? 29.852 -10.788 -8.438 1.00 15.82 0 B 1 ATOM 787 C CB . MET B 1 520 ? 31.280 -8.327 -9.956 1.00 13.78 0 B 1 ATOM 788 C CG . MET B 1 520 ? 30.829 -7.759 -8.621 1.00 13.49 0 B 1 ATOM 789 S SD . MET B 1 520 ? 31.711 -6.253 -8.208 1.00 13.85 0 B 1 ATOM 790 C CE . MET B 1 520 ? 30.834 -5.088 -9.115 1.00 12.48 0 B 1 ATOM 791 N N . LYS B 1 521 ? 31.708 -11.438 -9.554 1.00 14.52 0 B 1 ATOM 792 C CA . LYS B 1 521 ? 32.024 -12.492 -8.606 1.00 14.00 0 B 1 ATOM 793 C C . LYS B 1 521 ? 33.131 -11.977 -7.671 1.00 14.37 0 B 1 ATOM 794 O O . LYS B 1 521 ? 34.018 -11.243 -8.147 1.00 14.33 0 B 1 ATOM 795 C CB . LYS B 1 521 ? 32.531 -13.737 -9.371 1.00 18.57 0 B 1 ATOM 796 C CG . LYS B 1 521 ? 31.401 -14.462 -10.095 1.00 26.95 0 B 1 ATOM 797 C CD . LYS B 1 521 ? 31.785 -15.877 -10.480 1.00 41.35 0 B 1 ATOM 798 C CE . LYS B 1 521 ? 30.558 -16.677 -10.851 1.00 57.43 0 B 1 ATOM 799 N NZ . LYS B 1 521 ? 30.680 -18.106 -10.447 1.00 68.03 0 B 1 ATOM 800 N N . PRO B 1 522 ? 33.111 -12.321 -6.374 1.00 12.77 0 B 1 ATOM 801 C CA . PRO B 1 522 ? 34.180 -11.881 -5.478 1.00 12.72 0 B 1 ATOM 802 C C . PRO B 1 522 ? 35.496 -12.568 -5.836 1.00 14.09 0 B 1 ATOM 803 O O . PRO B 1 522 ? 35.505 -13.638 -6.467 1.00 16.62 0 B 1 ATOM 804 C CB . PRO B 1 522 ? 33.679 -12.345 -4.105 1.00 14.65 0 B 1 ATOM 805 C CG . PRO B 1 522 ? 32.862 -13.560 -4.408 1.00 19.18 0 B 1 ATOM 806 C CD . PRO B 1 522 ? 32.124 -13.160 -5.657 1.00 15.42 0 B 1 ATOM 807 N N . ASP B 1 523 ? 36.618 -11.966 -5.402 1.00 11.92 0 B 1 ATOM 808 C CA . ASP B 1 523 ? 37.896 -12.580 -5.640 1.00 12.35 0 B 1 ATOM 809 C C . ASP B 1 523 ? 38.121 -13.713 -4.613 1.00 16.29 0 B 1 ATOM 810 O O . ASP B 1 523 ? 37.224 -13.977 -3.805 1.00 16.67 0 B 1 ATOM 811 C CB . ASP B 1 523 ? 39.011 -11.530 -5.663 1.00 13.43 0 B 1 ATOM 812 C CG . ASP B 1 523 ? 39.286 -10.827 -4.352 1.00 15.21 0 B 1 ATOM 813 O OD1 . ASP B 1 523 ? 38.880 -11.361 -3.278 1.00 12.95 0 B 1 ATOM 814 O OD2 . ASP B 1 523 ? 39.996 -9.798 -4.368 1.00 17.36 0 B 1 ATOM 815 N N . GLU B 1 524 ? 39.315 -14.338 -4.608 1.00 16.49 0 B 1 ATOM 816 C CA . GLU B 1 524 ? 39.598 -15.469 -3.713 1.00 18.10 0 B 1 ATOM 817 C C . GLU B 1 524 ? 39.633 -15.076 -2.229 1.00 23.21 0 B 1 ATOM 818 O O . GLU B 1 524 ? 39.697 -15.963 -1.384 1.00 26.22 0 B 1 ATOM 819 C CB . GLU B 1 524 ? 40.890 -16.197 -4.135 1.00 20.67 0 B 1 ATOM 820 C CG . GLU B 1 524 ? 42.155 -15.358 -4.046 1.00 29.15 0 B 1 ATOM 821 C CD . GLU B 1 524 ? 43.459 -16.118 -4.234 1.00 51.53 0 B 1 ATOM 822 O OE1 . GLU B 1 524 ? 43.423 -17.293 -4.667 1.00 47.32 0 B 1 ATOM 823 O OE2 . GLU B 1 524 ? 44.525 -15.527 -3.950 1.00 47.13 0 B 1 ATOM 824 N N . ASN B 1 525 ? 39.563 -13.772 -1.917 1.00 17.52 0 B 1 ATOM 825 C CA . ASN B 1 525 ? 39.550 -13.246 -0.543 1.00 17.64 0 B 1 ATOM 826 C C . ASN B 1 525 ? 38.156 -12.672 -0.195 1.00 19.19 0 B 1 ATOM 827 O O . ASN B 1 525 ? 38.010 -11.977 0.820 1.00 20.20 0 B 1 ATOM 828 C CB . ASN B 1 525 ? 40.643 -12.194 -0.355 1.00 19.61 0 B 1 ATOM 829 C CG . ASN B 1 525 ? 42.036 -12.736 -0.623 1.00 31.50 0 B 1 ATOM 830 N ND2 . ASN B 1 525 ? 42.775 -12.059 -1.473 1.00 28.91 0 B 1 ATOM 831 O OD1 . ASN B 1 525 ? 42.452 -13.764 -0.081 1.00 29.75 0 B 1 ATOM 832 N N . GLY B 1 526 ? 37.172 -12.907 -1.077 1.00 15.40 0 B 1 ATOM 833 C CA . GLY B 1 526 ? 35.809 -12.418 -0.868 1.00 15.32 0 B 1 ATOM 834 C C . GLY B 1 526 ? 35.635 -10.916 -1.035 1.00 18.90 0 B 1 ATOM 835 O O . GLY B 1 526 ? 34.679 -10.318 -0.525 1.00 18.71 0 B 1 ATOM 836 N N . ARG B 1 527 ? 36.552 -10.284 -1.789 1.00 15.53 0 B 1 ATOM 837 C CA . ARG B 1 527 ? 36.520 -8.836 -2.010 1.00 15.11 0 B 1 ATOM 838 C C . ARG B 1 527 ? 36.019 -8.529 -3.408 1.00 13.66 0 B 1 ATOM 839 O O . ARG B 1 527 ? 36.241 -9.300 -4.343 1.00 13.03 0 B 1 ATOM 840 C CB . ARG B 1 527 ? 37.929 -8.246 -1.888 1.00 18.04 0 B 1 ATOM 841 C CG . ARG B 1 527 ? 38.583 -8.423 -0.519 1.00 28.48 0 B 1 ATOM 842 C CD . ARG B 1 527 ? 40.091 -8.237 -0.571 1.00 46.27 0 B 1 ATOM 843 N NE . ARG B 1 527 ? 40.499 -6.834 -0.694 1.00 61.94 0 B 1 ATOM 844 C CZ . ARG B 1 527 ? 41.707 -6.432 -1.083 1.00 76.69 0 B 1 ATOM 845 N NH1 . ARG B 1 527 ? 42.629 -7.320 -1.436 1.00 61.62 0 B 1 ATOM 846 N NH2 . ARG B 1 527 ? 41.987 -5.138 -1.164 1.00 66.43 0 B 1 ATOM 847 N N . PHE B 1 528 ? 35.404 -7.354 -3.550 1.00 11.50 0 B 1 ATOM 848 C CA . PHE B 1 528 ? 34.900 -6.897 -4.840 1.00 10.61 0 B 1 ATOM 849 C C . PHE B 1 528 ? 35.726 -5.762 -5.440 1.00 13.26 0 B 1 ATOM 850 O O . PHE B 1 528 ? 35.747 -5.637 -6.664 1.00 13.78 0 B 1 ATOM 851 C CB . PHE B 1 528 ? 33.454 -6.462 -4.688 1.00 11.34 0 B 1 ATOM 852 C CG . PHE B 1 528 ? 32.521 -7.590 -4.388 1.00 11.58 0 B 1 ATOM 853 C CD1 . PHE B 1 528 ? 32.215 -8.537 -5.362 1.00 12.97 0 B 1 ATOM 854 C CD2 . PHE B 1 528 ? 31.985 -7.750 -3.110 1.00 11.59 0 B 1 ATOM 855 C CE1 . PHE B 1 528 ? 31.338 -9.597 -5.073 1.00 12.96 0 B 1 ATOM 856 C CE2 . PHE B 1 528 ? 31.126 -8.814 -2.819 1.00 12.75 0 B 1 ATOM 857 C CZ . PHE B 1 528 ? 30.808 -9.727 -3.796 1.00 12.28 0 B 1 ATOM 858 N N . GLY B 1 529 ? 36.385 -4.962 -4.608 1.00 12.17 0 B 1 ATOM 859 C CA . GLY B 1 529 ? 37.251 -3.905 -5.093 1.00 14.20 0 B 1 ATOM 860 C C . GLY B 1 529 ? 36.667 -2.523 -5.224 1.00 15.79 0 B 1 ATOM 861 O O . GLY B 1 529 ? 37.268 -1.682 -5.882 1.00 18.17 0 B 1 ATOM 862 N N . PHE B 1 530 ? 35.532 -2.241 -4.588 1.00 13.11 0 B 1 ATOM 863 C CA . PHE B 1 530 ? 34.998 -0.898 -4.674 1.00 12.54 0 B 1 ATOM 864 C C . PHE B 1 530 ? 34.653 -0.420 -3.291 1.00 15.94 0 B 1 ATOM 865 O O . PHE B 1 530 ? 34.519 -1.224 -2.367 1.00 16.04 0 B 1 ATOM 866 C CB . PHE B 1 530 ? 33.737 -0.846 -5.560 1.00 12.26 0 B 1 ATOM 867 C CG . PHE B 1 530 ? 32.533 -1.617 -5.042 1.00 11.12 0 B 1 ATOM 868 C CD1 . PHE B 1 530 ? 31.496 -0.961 -4.370 1.00 11.74 0 B 1 ATOM 869 C CD2 . PHE B 1 530 ? 32.392 -2.977 -5.305 1.00 11.37 0 B 1 ATOM 870 C CE1 . PHE B 1 530 ? 30.360 -1.659 -3.956 1.00 11.66 0 B 1 ATOM 871 C CE2 . PHE B 1 530 ? 31.243 -3.663 -4.909 1.00 12.03 0 B 1 ATOM 872 C CZ . PHE B 1 530 ? 30.242 -3.009 -4.222 1.00 12.00 0 B 1 ATOM 873 N N . ASN B 1 531 ? 34.490 0.887 -3.159 1.00 13.96 0 B 1 ATOM 874 C CA . ASN B 1 531 ? 34.087 1.508 -1.904 1.00 13.86 0 B 1 ATOM 875 C C . ASN B 1 531 ? 32.727 2.157 -2.091 1.00 14.93 0 B 1 ATOM 876 O O . ASN B 1 531 ? 32.389 2.611 -3.203 1.00 14.79 0 B 1 ATOM 877 C CB . ASN B 1 531 ? 35.063 2.612 -1.460 1.00 15.29 0 B 1 ATOM 878 C CG . ASN B 1 531 ? 36.507 2.215 -1.290 1.00 22.88 0 B 1 ATOM 879 N ND2 . ASN B 1 531 ? 37.310 3.175 -0.853 1.00 25.28 0 B 1 ATOM 880 O OD1 . ASN B 1 531 ? 36.902 1.068 -1.494 1.00 21.92 0 B 1 ATOM 881 N N . VAL B 1 532 ? 31.947 2.230 -1.003 1.00 14.12 0 B 1 ATOM 882 C CA . VAL B 1 532 ? 30.683 2.961 -1.034 1.00 14.38 0 B 1 ATOM 883 C C . VAL B 1 532 ? 30.644 4.005 0.041 1.00 18.51 0 B 1 ATOM 884 O O . VAL B 1 532 ? 31.200 3.806 1.129 1.00 17.34 0 B 1 ATOM 885 C CB . VAL B 1 532 ? 29.410 2.102 -0.956 1.00 18.42 0 B 1 ATOM 886 C CG1 . VAL B 1 532 ? 29.210 1.286 -2.224 1.00 19.19 0 B 1 ATOM 887 C CG2 . VAL B 1 532 ? 29.375 1.235 0.295 1.00 17.98 0 B 1 ATOM 888 N N . LYS B 1 533 ? 29.950 5.111 -0.247 1.00 16.46 0 B 1 ATOM 889 C CA . LYS B 1 533 ? 29.637 6.160 0.714 1.00 16.40 0 B 1 ATOM 890 C C . LYS B 1 533 ? 28.104 6.312 0.686 1.00 17.96 0 B 1 ATOM 891 O O . LYS B 1 533 ? 27.438 5.917 -0.286 1.00 16.39 0 B 1 ATOM 892 C CB . LYS B 1 533 ? 30.281 7.501 0.338 1.00 19.24 0 B 1 ATOM 893 C CG . LYS B 1 533 ? 31.740 7.618 0.714 1.00 32.62 0 B 1 ATOM 894 C CD . LYS B 1 533 ? 32.299 8.991 0.353 1.00 40.77 0 B 1 ATOM 895 C CE . LYS B 1 533 ? 33.781 9.062 0.640 1.00 48.88 0 B 1 ATOM 896 N NZ . LYS B 1 533 ? 34.457 10.109 -0.172 1.00 57.37 0 B 1 ATOM 897 N N . GLY B 1 534 ? 27.549 6.858 1.753 1.00 17.26 0 B 1 ATOM 898 C CA . GLY B 1 534 ? 26.118 7.161 1.784 1.00 17.51 0 B 1 ATOM 899 C C . GLY B 1 534 ? 25.241 6.148 2.483 1.00 19.88 0 B 1 ATOM 900 O O . GLY B 1 534 ? 25.715 5.135 3.009 1.00 19.32 0 B 1 ATOM 901 N N . GLY B 1 535 ? 23.953 6.444 2.496 1.00 18.55 0 B 1 ATOM 902 C CA . GLY B 1 535 ? 22.972 5.602 3.163 1.00 19.35 0 B 1 ATOM 903 C C . GLY B 1 535 ? 21.983 6.467 3.902 1.00 25.39 0 B 1 ATOM 904 O O . GLY B 1 535 ? 22.251 7.652 4.126 1.00 26.43 0 B 1 ATOM 905 N N . TYR B 1 536 ? 20.831 5.885 4.250 1.00 24.54 0 B 1 ATOM 906 C CA . TYR B 1 536 ? 19.731 6.600 4.907 1.00 28.28 0 B 1 ATOM 907 C C . TYR B 1 536 ? 20.165 7.404 6.150 1.00 33.37 0 B 1 ATOM 908 O O . TYR B 1 536 ? 19.754 8.552 6.304 1.00 34.42 0 B 1 ATOM 909 C CB . TYR B 1 536 ? 18.582 5.641 5.223 1.00 31.97 0 B 1 ATOM 910 N N . ASP B 1 537 ? 21.035 6.825 6.991 1.00 30.24 0 B 1 ATOM 911 C CA . ASP B 1 537 ? 21.601 7.450 8.187 1.00 30.91 0 B 1 ATOM 912 C C . ASP B 1 537 ? 22.494 8.680 7.910 1.00 36.88 0 B 1 ATOM 913 O O . ASP B 1 537 ? 22.567 9.581 8.752 1.00 38.71 0 B 1 ATOM 914 C CB . ASP B 1 537 ? 22.360 6.404 9.020 1.00 30.81 0 B 1 ATOM 915 C CG . ASP B 1 537 ? 23.566 5.774 8.333 1.00 26.34 0 B 1 ATOM 916 O OD1 . ASP B 1 537 ? 23.471 5.471 7.114 1.00 26.82 0 B 1 ATOM 917 O OD2 . ASP B 1 537 ? 24.558 5.481 9.036 1.00 33.93 0 B 1 ATOM 918 N N . GLN B 1 538 ? 23.156 8.717 6.733 1.00 31.57 0 B 1 ATOM 919 C CA . GLN B 1 538 ? 24.037 9.802 6.286 1.00 30.56 0 B 1 ATOM 920 C C . GLN B 1 538 ? 23.248 10.854 5.494 1.00 34.33 0 B 1 ATOM 921 O O . GLN B 1 538 ? 23.844 11.845 5.062 1.00 33.79 0 B 1 ATOM 922 C CB . GLN B 1 538 ? 25.175 9.253 5.390 1.00 29.93 0 B 1 ATOM 923 C CG . GLN B 1 538 ? 26.161 8.307 6.095 1.00 27.71 0 B 1 ATOM 924 C CD . GLN B 1 538 ? 27.367 7.915 5.275 1.00 34.97 0 B 1 ATOM 925 N NE2 . GLN B 1 538 ? 28.051 6.882 5.729 1.00 31.99 0 B 1 ATOM 926 O OE1 . GLN B 1 538 ? 27.729 8.534 4.256 1.00 29.40 0 B 1 ATOM 927 N N . LYS B 1 539 ? 21.925 10.614 5.265 1.00 30.07 0 B 1 ATOM 928 C CA . LYS B 1 539 ? 21.004 11.448 4.473 1.00 30.14 0 B 1 ATOM 929 C C . LYS B 1 539 ? 21.580 11.755 3.072 1.00 31.74 0 B 1 ATOM 930 O O . LYS B 1 539 ? 21.448 12.864 2.540 1.00 31.21 0 B 1 ATOM 931 C CB . LYS B 1 539 ? 20.556 12.707 5.240 1.00 35.56 0 B 1 ATOM 932 C CG . LYS B 1 539 ? 19.585 12.434 6.393 1.00 51.25 0 B 1 ATOM 933 C CD . LYS B 1 539 ? 18.217 11.913 5.916 1.00 62.24 0 B 1 ATOM 934 C CE . LYS B 1 539 ? 17.052 12.691 6.483 1.00 75.91 0 B 1 ATOM 935 N NZ . LYS B 1 539 ? 16.813 12.378 7.917 1.00 87.36 0 B 1 ATOM 936 N N . MET B 1 540 ? 22.266 10.755 2.501 1.00 26.52 0 B 1 ATOM 937 C CA . MET B 1 540 ? 22.927 10.889 1.213 1.00 26.78 0 B 1 ATOM 938 C C . MET B 1 540 ? 22.688 9.613 0.408 1.00 24.39 0 B 1 ATOM 939 O O . MET B 1 540 ? 22.618 8.531 1.000 1.00 21.05 0 B 1 ATOM 940 C CB . MET B 1 540 ? 24.453 11.079 1.415 1.00 30.83 0 B 1 ATOM 941 C CG . MET B 1 540 ? 24.861 12.445 1.991 1.00 38.63 0 B 1 ATOM 942 S SD . MET B 1 540 ? 24.798 13.813 0.799 1.00 46.13 0 B 1 ATOM 943 C CE . MET B 1 540 ? 26.317 13.517 -0.112 1.00 42.34 0 B 1 ATOM 944 N N . PRO B 1 541 ? 22.615 9.681 -0.940 1.00 19.97 0 B 1 ATOM 945 C CA . PRO B 1 541 ? 22.450 8.439 -1.704 1.00 17.62 0 B 1 ATOM 946 C C . PRO B 1 541 ? 23.673 7.548 -1.560 1.00 18.52 0 B 1 ATOM 947 O O . PRO B 1 541 ? 24.773 8.035 -1.258 1.00 18.81 0 B 1 ATOM 948 C CB . PRO B 1 541 ? 22.320 8.923 -3.155 1.00 21.00 0 B 1 ATOM 949 C CG . PRO B 1 541 ? 22.906 10.272 -3.182 1.00 27.04 0 B 1 ATOM 950 C CD . PRO B 1 541 ? 22.689 10.866 -1.821 1.00 23.56 0 B 1 ATOM 951 N N . VAL B 1 542 ? 23.480 6.252 -1.801 1.00 15.77 0 B 1 ATOM 952 C CA . VAL B 1 542 ? 24.577 5.275 -1.807 1.00 13.85 0 B 1 ATOM 953 C C . VAL B 1 542 ? 25.326 5.423 -3.144 1.00 17.47 0 B 1 ATOM 954 O O . VAL B 1 542 ? 24.720 5.273 -4.213 1.00 16.08 0 B 1 ATOM 955 C CB . VAL B 1 542 ? 24.023 3.850 -1.627 1.00 17.89 0 B 1 ATOM 956 C CG1 . VAL B 1 542 ? 25.148 2.831 -1.679 1.00 16.60 0 B 1 ATOM 957 C CG2 . VAL B 1 542 ? 23.254 3.738 -0.307 1.00 19.34 0 B 1 ATOM 958 N N . ILE B 1 543 ? 26.584 5.866 -3.066 1.00 14.40 0 B 1 ATOM 959 C CA . ILE B 1 543 ? 27.422 6.153 -4.234 1.00 14.77 0 B 1 ATOM 960 C C . ILE B 1 543 ? 28.693 5.349 -4.170 1.00 17.41 0 B 1 ATOM 961 O O . ILE B 1 543 ? 29.325 5.262 -3.112 1.00 18.20 0 B 1 ATOM 962 C CB . ILE B 1 543 ? 27.719 7.697 -4.302 1.00 19.02 0 B 1 ATOM 963 C CG1 . ILE B 1 543 ? 26.430 8.557 -4.323 1.00 20.09 0 B 1 ATOM 964 C CG2 . ILE B 1 543 ? 28.718 8.107 -5.417 1.00 20.64 0 B 1 ATOM 965 C CD1 . ILE B 1 543 ? 25.545 8.485 -5.553 1.00 28.61 0 B 1 ATOM 966 N N . VAL B 1 544 ? 29.111 4.831 -5.325 1.00 15.42 0 B 1 ATOM 967 C CA . VAL B 1 544 ? 30.385 4.129 -5.433 1.00 14.55 0 B 1 ATOM 968 C C . VAL B 1 544 ? 31.459 5.240 -5.382 1.00 17.67 0 B 1 ATOM 969 O O . VAL B 1 544 ? 31.486 6.115 -6.256 1.00 18.28 0 B 1 ATOM 970 C CB . VAL B 1 544 ? 30.431 3.322 -6.743 1.00 15.36 0 B 1 ATOM 971 C CG1 . VAL B 1 544 ? 31.827 2.754 -6.975 1.00 14.98 0 B 1 ATOM 972 C CG2 . VAL B 1 544 ? 29.391 2.231 -6.757 1.00 14.89 0 B 1 ATOM 973 N N . SER B 1 545 ? 32.271 5.256 -4.312 1.00 15.54 0 B 1 ATOM 974 C CA . SER B 1 545 ? 33.266 6.312 -4.102 1.00 17.43 0 B 1 ATOM 975 C C . SER B 1 545 ? 34.658 5.960 -4.643 1.00 22.20 0 B 1 ATOM 976 O O . SER B 1 545 ? 35.536 6.838 -4.690 1.00 22.81 0 B 1 ATOM 977 C CB . SER B 1 545 ? 33.354 6.648 -2.621 1.00 19.30 0 B 1 ATOM 978 O OG . SER B 1 545 ? 33.616 5.464 -1.878 1.00 21.46 0 B 1 ATOM 979 N N . ARG B 1 546 ? 34.869 4.692 -5.047 1.00 17.71 0 B 1 ATOM 980 C CA . ARG B 1 546 ? 36.158 4.251 -5.572 1.00 17.51 0 B 1 ATOM 981 C C . ARG B 1 546 ? 35.992 2.884 -6.183 1.00 18.52 0 B 1 ATOM 982 O O . ARG B 1 546 ? 35.224 2.062 -5.668 1.00 15.68 0 B 1 ATOM 983 C CB . ARG B 1 546 ? 37.201 4.125 -4.433 1.00 22.33 0 B 1 ATOM 984 C CG . ARG B 1 546 ? 38.650 4.081 -4.939 1.00 32.57 0 B 1 ATOM 985 C CD . ARG B 1 546 ? 39.648 3.827 -3.834 1.00 40.97 0 B 1 ATOM 986 N NE . ARG B 1 546 ? 40.977 3.520 -4.370 1.00 52.79 0 B 1 ATOM 987 C CZ . ARG B 1 546 ? 41.590 2.347 -4.244 1.00 66.29 0 B 1 ATOM 988 N NH1 . ARG B 1 546 ? 41.008 1.352 -3.584 1.00 49.82 0 B 1 ATOM 989 N NH2 . ARG B 1 546 ? 42.793 2.161 -4.770 1.00 55.21 0 B 1 ATOM 990 N N . VAL B 1 547 ? 36.705 2.647 -7.291 1.00 16.68 0 B 1 ATOM 991 C CA . VAL B 1 547 ? 36.791 1.335 -7.943 1.00 14.86 0 B 1 ATOM 992 C C . VAL B 1 547 ? 38.303 1.094 -8.121 1.00 17.29 0 B 1 ATOM 993 O O . VAL B 1 547 ? 38.985 1.862 -8.810 1.00 18.11 0 B 1 ATOM 994 C CB . VAL B 1 547 ? 36.007 1.202 -9.268 1.00 18.45 0 B 1 ATOM 995 C CG1 . VAL B 1 547 ? 36.143 -0.223 -9.822 1.00 18.44 0 B 1 ATOM 996 C CG2 . VAL B 1 547 ? 34.527 1.528 -9.061 1.00 18.04 0 B 1 ATOM 997 N N . ALA B 1 548 ? 38.832 0.077 -7.441 1.00 16.09 0 B 1 ATOM 998 C CA . ALA B 1 548 ? 40.274 -0.177 -7.514 1.00 18.07 0 B 1 ATOM 999 C C . ALA B 1 548 ? 40.633 -0.906 -8.811 1.00 17.24 0 B 1 ATOM 1000 O O . ALA B 1 548 ? 39.891 -1.797 -9.224 1.00 16.12 0 B 1 ATOM 1001 C CB . ALA B 1 548 ? 40.746 -0.955 -6.296 1.00 19.62 0 B 1 ATOM 1002 N N . PRO B 1 549 ? 41.727 -0.547 -9.488 1.00 16.47 0 B 1 ATOM 1003 C CA . PRO B 1 549 ? 42.024 -1.207 -10.758 1.00 16.88 0 B 1 ATOM 1004 C C . PRO B 1 549 ? 42.338 -2.691 -10.574 1.00 18.26 0 B 1 ATOM 1005 O O . PRO B 1 549 ? 42.966 -3.089 -9.588 1.00 18.04 0 B 1 ATOM 1006 C CB . PRO B 1 549 ? 43.244 -0.456 -11.281 1.00 20.16 0 B 1 ATOM 1007 C CG . PRO B 1 549 ? 43.821 0.260 -10.109 1.00 23.39 0 B 1 ATOM 1008 C CD . PRO B 1 549 ? 42.703 0.505 -9.149 1.00 17.00 0 B 1 ATOM 1009 N N . GLY B 1 550 ? 41.882 -3.484 -11.537 1.00 15.58 0 B 1 ATOM 1010 C CA . GLY B 1 550 ? 42.184 -4.904 -11.636 1.00 15.51 0 B 1 ATOM 1011 C C . GLY B 1 550 ? 41.332 -5.792 -10.761 1.00 16.25 0 B 1 ATOM 1012 O O . GLY B 1 550 ? 41.562 -7.004 -10.698 1.00 17.10 0 B 1 ATOM 1013 N N . THR B 1 551 ? 40.396 -5.194 -10.010 1.00 14.35 0 B 1 ATOM 1014 C CA . THR B 1 551 ? 39.530 -5.930 -9.100 1.00 13.44 0 B 1 ATOM 1015 C C . THR B 1 551 ? 38.294 -6.404 -9.829 1.00 13.90 0 B 1 ATOM 1016 O O . THR B 1 551 ? 38.010 -5.942 -10.932 1.00 14.12 0 B 1 ATOM 1017 C CB . THR B 1 551 ? 39.141 -5.021 -7.929 1.00 13.62 0 B 1 ATOM 1018 C CG2 . THR B 1 551 ? 40.361 -4.517 -7.130 1.00 16.74 0 B 1 ATOM 1019 O OG1 . THR B 1 551 ? 38.359 -3.934 -8.422 1.00 14.50 0 B 1 ATOM 1020 N N . PRO B 1 552 ? 37.463 -7.252 -9.185 1.00 12.56 0 B 1 ATOM 1021 C CA . PRO B 1 552 ? 36.234 -7.689 -9.853 1.00 11.50 0 B 1 ATOM 1022 C C . PRO B 1 552 ? 35.369 -6.529 -10.326 1.00 12.19 0 B 1 ATOM 1023 O O . PRO B 1 552 ? 34.807 -6.587 -11.410 1.00 12.79 0 B 1 ATOM 1024 C CB . PRO B 1 552 ? 35.545 -8.518 -8.769 1.00 12.54 0 B 1 ATOM 1025 C CG . PRO B 1 552 ? 36.711 -9.157 -8.049 1.00 15.50 0 B 1 ATOM 1026 C CD . PRO B 1 552 ? 37.705 -8.012 -7.944 1.00 13.28 0 B 1 ATOM 1027 N N . ALA B 1 553 ? 35.250 -5.458 -9.529 1.00 11.65 0 B 1 ATOM 1028 C CA . ALA B 1 553 ? 34.399 -4.309 -9.887 1.00 12.44 0 B 1 ATOM 1029 C C . ALA B 1 553 ? 34.951 -3.517 -11.069 1.00 14.91 0 B 1 ATOM 1030 O O . ALA B 1 553 ? 34.186 -2.875 -11.792 1.00 14.44 0 B 1 ATOM 1031 C CB . ALA B 1 553 ? 34.228 -3.391 -8.689 1.00 13.70 0 B 1 ATOM 1032 N N . ASP B 1 554 ? 36.264 -3.599 -11.316 1.00 13.28 0 B 1 ATOM 1033 C CA . ASP B 1 554 ? 36.891 -2.906 -12.406 1.00 14.34 0 B 1 ATOM 1034 C C . ASP B 1 554 ? 36.831 -3.748 -13.672 1.00 17.03 0 B 1 ATOM 1035 O O . ASP B 1 554 ? 36.826 -3.184 -14.774 1.00 18.15 0 B 1 ATOM 1036 C CB . ASP B 1 554 ? 38.352 -2.653 -12.036 1.00 14.92 0 B 1 ATOM 1037 C CG . ASP B 1 554 ? 39.119 -1.847 -13.051 1.00 19.57 0 B 1 ATOM 1038 O OD1 . ASP B 1 554 ? 38.609 -0.794 -13.465 1.00 20.97 0 B 1 ATOM 1039 O OD2 . ASP B 1 554 ? 40.214 -2.280 -13.440 1.00 21.11 0 B 1 ATOM 1040 N N . LEU B 1 555 ? 36.839 -5.082 -13.518 1.00 14.96 0 B 1 ATOM 1041 C CA . LEU B 1 555 ? 36.907 -5.974 -14.664 1.00 16.12 0 B 1 ATOM 1042 C C . LEU B 1 555 ? 35.591 -6.546 -15.145 1.00 19.56 0 B 1 ATOM 1043 O O . LEU B 1 555 ? 35.577 -7.188 -16.197 1.00 22.30 0 B 1 ATOM 1044 C CB . LEU B 1 555 ? 37.940 -7.084 -14.404 1.00 17.45 0 B 1 ATOM 1045 C CG . LEU B 1 555 ? 39.367 -6.611 -14.030 1.00 22.75 0 B 1 ATOM 1046 C CD1 . LEU B 1 555 ? 40.285 -7.796 -13.794 1.00 24.03 0 B 1 ATOM 1047 C CD2 . LEU B 1 555 ? 39.969 -5.670 -15.112 1.00 26.17 0 B 1 ATOM 1048 N N . CYS B 1 556 ? 34.479 -6.316 -14.420 1.00 16.96 0 B 1 ATOM 1049 C CA . CYS B 1 556 ? 33.203 -6.850 -14.894 1.00 17.20 0 B 1 ATOM 1050 C C . CYS B 1 556 ? 32.691 -6.027 -16.050 1.00 20.97 0 B 1 ATOM 1051 O O . CYS B 1 556 ? 33.154 -4.896 -16.269 1.00 18.46 0 B 1 ATOM 1052 C CB . CYS B 1 556 ? 32.185 -6.946 -13.757 1.00 16.95 0 B 1 ATOM 1053 S SG . CYS B 1 556 ? 31.929 -5.399 -12.863 1.00 18.34 0 B 1 ATOM 1054 N N . VAL B 1 557 ? 31.791 -6.615 -16.854 1.00 20.73 0 B 1 ATOM 1055 C CA . VAL B 1 557 ? 31.231 -5.938 -18.023 1.00 21.18 0 B 1 ATOM 1056 C C . VAL B 1 557 ? 29.688 -6.072 -18.001 1.00 25.63 0 B 1 ATOM 1057 O O . VAL B 1 557 ? 29.185 -7.192 -18.118 1.00 27.53 0 B 1 ATOM 1058 C CB . VAL B 1 557 ? 31.847 -6.430 -19.364 1.00 26.07 0 B 1 ATOM 1059 C CG1 . VAL B 1 557 ? 31.281 -5.634 -20.544 1.00 27.14 0 B 1 ATOM 1060 C CG2 . VAL B 1 557 ? 33.371 -6.362 -19.351 1.00 25.55 0 B 1 ATOM 1061 N N . PRO B 1 558 ? 28.918 -4.986 -17.806 1.00 22.21 0 B 1 ATOM 1062 C CA . PRO B 1 558 ? 29.353 -3.591 -17.621 1.00 21.57 0 B 1 ATOM 1063 C C . PRO B 1 558 ? 30.137 -3.404 -16.330 1.00 23.91 0 B 1 ATOM 1064 O O . PRO B 1 558 ? 29.901 -4.103 -15.345 1.00 20.79 0 B 1 ATOM 1065 C CB . PRO B 1 558 ? 28.034 -2.789 -17.582 1.00 23.53 0 B 1 ATOM 1066 C CG . PRO B 1 558 ? 26.971 -3.718 -18.132 1.00 29.66 0 B 1 ATOM 1067 C CD . PRO B 1 558 ? 27.444 -5.105 -17.781 1.00 24.43 0 B 1 ATOM 1068 N N . ARG B 1 559 ? 31.079 -2.459 -16.384 1.00 19.77 0 B 1 ATOM 1069 C CA A ARG B 1 559 ? 31.971 -2.068 -15.302 0.50 19.64 0 B 1 ATOM 1070 C CA B ARG B 1 559 ? 31.941 -2.122 -15.277 0.50 19.81 0 B 1 ATOM 1071 C C . ARG B 1 559 ? 31.219 -1.266 -14.248 1.00 20.43 0 B 1 ATOM 1072 O O . ARG B 1 559 ? 30.313 -0.516 -14.587 1.00 19.19 0 B 1 ATOM 1073 C CB A ARG B 1 559 ? 33.108 -1.186 -15.879 0.50 21.01 0 B 1 ATOM 1074 C CB B ARG B 1 559 ? 33.137 -1.359 -15.836 0.50 22.16 0 B 1 ATOM 1075 C CG A ARG B 1 559 ? 34.254 -0.897 -14.910 0.50 24.99 0 B 1 ATOM 1076 C CG B ARG B 1 559 ? 34.256 -1.124 -14.856 0.50 29.13 0 B 1 ATOM 1077 C CD A ARG B 1 559 ? 35.248 0.145 -15.401 0.50 18.21 0 B 1 ATOM 1078 C CD B ARG B 1 559 ? 35.379 -0.414 -15.551 0.50 26.06 0 B 1 ATOM 1079 N NE A ARG B 1 559 ? 36.295 0.346 -14.393 0.50 22.16 0 B 1 ATOM 1080 N NE B ARG B 1 559 ? 35.122 1.010 -15.732 0.50 17.72 0 B 1 ATOM 1081 C CZ A ARG B 1 559 ? 36.335 1.360 -13.529 0.50 34.74 0 B 1 ATOM 1082 C CZ B ARG B 1 559 ? 36.063 1.866 -16.120 0.50 28.95 0 B 1 ATOM 1083 N NH1 A ARG B 1 559 ? 35.428 2.324 -13.583 0.50 20.95 0 B 1 ATOM 1084 N NH1 B ARG B 1 559 ? 37.296 1.441 -16.361 0.50 24.37 0 B 1 ATOM 1085 N NH2 A ARG B 1 559 ? 37.318 1.447 -12.645 0.50 22.68 0 B 1 ATOM 1086 N NH2 B ARG B 1 559 ? 35.778 3.152 -16.269 0.50 24.12 0 B 1 ATOM 1087 N N . LEU B 1 560 ? 31.650 -1.354 -12.972 1.00 16.22 0 B 1 ATOM 1088 C CA . LEU B 1 560 ? 31.108 -0.494 -11.954 1.00 15.08 0 B 1 ATOM 1089 C C . LEU B 1 560 ? 31.977 0.766 -12.007 1.00 18.95 0 B 1 ATOM 1090 O O . LEU B 1 560 ? 33.200 0.669 -12.085 1.00 19.91 0 B 1 ATOM 1091 C CB . LEU B 1 560 ? 31.242 -1.140 -10.568 1.00 13.78 0 B 1 ATOM 1092 C CG . LEU B 1 560 ? 30.586 -0.363 -9.427 1.00 15.03 0 B 1 ATOM 1093 C CD1 . LEU B 1 560 ? 29.057 -0.269 -9.602 1.00 16.54 0 B 1 ATOM 1094 C CD2 . LEU B 1 560 ? 30.895 -1.040 -8.127 1.00 13.79 0 B 1 ATOM 1095 N N . ASN B 1 561 ? 31.356 1.946 -12.008 1.00 16.11 0 B 1 ATOM 1096 C CA . ASN B 1 561 ? 32.106 3.196 -12.090 1.00 16.63 0 B 1 ATOM 1097 C C . ASN B 1 561 ? 31.981 4.096 -10.878 1.00 19.73 0 B 1 ATOM 1098 O O . ASN B 1 561 ? 30.908 4.173 -10.277 1.00 16.70 0 B 1 ATOM 1099 C CB . ASN B 1 561 ? 31.656 4.000 -13.330 1.00 18.53 0 B 1 ATOM 1100 C CG . ASN B 1 561 ? 31.977 3.305 -14.631 1.00 31.01 0 B 1 ATOM 1101 N ND2 . ASN B 1 561 ? 30.970 3.042 -15.447 1.00 27.31 0 B 1 ATOM 1102 O OD1 . ASN B 1 561 ? 33.123 2.955 -14.897 1.00 29.53 0 B 1 ATOM 1103 N N . GLU B 1 562 ? 33.051 4.855 -10.573 1.00 19.31 0 B 1 ATOM 1104 C CA . GLU B 1 562 ? 33.020 5.837 -9.499 1.00 20.03 0 B 1 ATOM 1105 C C . GLU B 1 562 ? 31.900 6.837 -9.835 1.00 21.23 0 B 1 ATOM 1106 O O . GLU B 1 562 ? 31.773 7.298 -10.991 1.00 21.34 0 B 1 ATOM 1107 C CB . GLU B 1 562 ? 34.363 6.592 -9.387 1.00 22.56 0 B 1 ATOM 1108 C CG . GLU B 1 562 ? 34.482 7.444 -8.126 1.00 33.13 0 B 1 ATOM 1109 C CD . GLU B 1 562 ? 35.700 8.344 -8.021 1.00 63.05 0 B 1 ATOM 1110 O OE1 . GLU B 1 562 ? 36.461 8.453 -9.010 1.00 66.28 0 B 1 ATOM 1111 O OE2 . GLU B 1 562 ? 35.874 8.971 -6.952 1.00 57.84 0 B 1 ATOM 1112 N N . GLY B 1 563 ? 31.106 7.159 -8.824 1.00 17.97 0 B 1 ATOM 1113 C CA . GLY B 1 563 ? 29.985 8.067 -9.007 1.00 17.78 0 B 1 ATOM 1114 C C . GLY B 1 563 ? 28.667 7.363 -9.271 1.00 18.77 0 B 1 ATOM 1115 O O . GLY B 1 563 ? 27.610 7.996 -9.224 1.00 18.80 0 B 1 ATOM 1116 N N . ASP B 1 564 ? 28.696 6.055 -9.599 1.00 14.60 0 B 1 ATOM 1117 C CA . ASP B 1 564 ? 27.451 5.328 -9.835 1.00 14.21 0 B 1 ATOM 1118 C C . ASP B 1 564 ? 26.615 5.334 -8.569 1.00 15.53 0 B 1 ATOM 1119 O O . ASP B 1 564 ? 27.166 5.175 -7.481 1.00 15.08 0 B 1 ATOM 1120 C CB . ASP B 1 564 ? 27.715 3.866 -10.233 1.00 14.43 0 B 1 ATOM 1121 C CG . ASP B 1 564 ? 28.222 3.635 -11.641 1.00 18.73 0 B 1 ATOM 1122 O OD1 . ASP B 1 564 ? 28.270 4.616 -12.434 1.00 20.86 0 B 1 ATOM 1123 O OD2 . ASP B 1 564 ? 28.642 2.499 -11.927 1.00 18.94 0 B 1 ATOM 1124 N N . GLN B 1 565 ? 25.306 5.540 -8.706 1.00 14.24 0 B 1 ATOM 1125 C CA . GLN B 1 565 ? 24.420 5.527 -7.563 1.00 14.09 0 B 1 ATOM 1126 C C . GLN B 1 565 ? 23.779 4.174 -7.482 1.00 17.04 0 B 1 ATOM 1127 O O . GLN B 1 565 ? 23.198 3.725 -8.464 1.00 16.78 0 B 1 ATOM 1128 C CB . GLN B 1 565 ? 23.353 6.606 -7.715 1.00 16.04 0 B 1 ATOM 1129 C CG . GLN B 1 565 ? 22.390 6.575 -6.546 1.00 25.07 0 B 1 ATOM 1130 C CD . GLN B 1 565 ? 21.366 7.650 -6.597 1.00 29.81 0 B 1 ATOM 1131 N NE2 . GLN B 1 565 ? 20.398 7.536 -5.700 1.00 24.85 0 B 1 ATOM 1132 O OE1 . GLN B 1 565 ? 21.441 8.584 -7.410 1.00 32.23 0 B 1 ATOM 1133 N N . VAL B 1 566 ? 23.892 3.521 -6.322 1.00 14.13 0 B 1 ATOM 1134 C CA . VAL B 1 566 ? 23.320 2.189 -6.127 1.00 13.07 0 B 1 ATOM 1135 C C . VAL B 1 566 ? 21.826 2.244 -5.848 1.00 16.88 0 B 1 ATOM 1136 O O . VAL B 1 566 ? 21.420 2.896 -4.898 1.00 19.01 0 B 1 ATOM 1137 C CB . VAL B 1 566 ? 24.070 1.470 -5.004 1.00 14.76 0 B 1 ATOM 1138 C CG1 . VAL B 1 566 ? 23.464 0.083 -4.739 1.00 14.70 0 B 1 ATOM 1139 C CG2 . VAL B 1 566 ? 25.586 1.392 -5.311 1.00 13.49 0 B 1 ATOM 1140 N N . VAL B 1 567 ? 21.002 1.530 -6.662 1.00 14.75 0 B 1 ATOM 1141 C CA . VAL B 1 567 ? 19.550 1.465 -6.522 1.00 15.37 0 B 1 ATOM 1142 C C . VAL B 1 567 ? 19.149 0.142 -5.877 1.00 16.28 0 B 1 ATOM 1143 O O . VAL B 1 567 ? 18.359 0.142 -4.928 1.00 17.89 0 B 1 ATOM 1144 C CB . VAL B 1 567 ? 18.875 1.680 -7.907 1.00 19.31 0 B 1 ATOM 1145 C CG1 . VAL B 1 567 ? 17.356 1.532 -7.823 1.00 21.02 0 B 1 ATOM 1146 C CG2 . VAL B 1 567 ? 19.252 3.052 -8.468 1.00 19.13 0 B 1 ATOM 1147 N N . LEU B 1 568 ? 19.653 -0.979 -6.415 1.00 14.51 0 B 1 ATOM 1148 C CA . LEU B 1 568 ? 19.370 -2.325 -5.881 1.00 14.60 0 B 1 ATOM 1149 C C . LEU B 1 568 ? 20.660 -3.041 -5.562 1.00 14.91 0 B 1 ATOM 1150 O O . LEU B 1 568 ? 21.637 -2.894 -6.291 1.00 13.79 0 B 1 ATOM 1151 C CB . LEU B 1 568 ? 18.629 -3.261 -6.840 1.00 15.96 0 B 1 ATOM 1152 C CG . LEU B 1 568 ? 17.332 -2.822 -7.498 1.00 20.27 0 B 1 ATOM 1153 C CD1 . LEU B 1 568 ? 16.797 -3.935 -8.387 1.00 21.14 0 B 1 ATOM 1154 C CD2 . LEU B 1 568 ? 16.279 -2.415 -6.491 1.00 23.75 0 B 1 ATOM 1155 N N . ILE B 1 569 ? 20.631 -3.890 -4.522 1.00 13.85 0 B 1 ATOM 1156 C CA . ILE B 1 569 ? 21.739 -4.782 -4.182 1.00 13.05 0 B 1 ATOM 1157 C C . ILE B 1 569 ? 21.122 -6.161 -4.131 1.00 16.05 0 B 1 ATOM 1158 O O . ILE B 1 569 ? 20.245 -6.410 -3.285 1.00 16.60 0 B 1 ATOM 1159 C CB . ILE B 1 569 ? 22.409 -4.416 -2.845 1.00 14.39 0 B 1 ATOM 1160 C CG1 . ILE B 1 569 ? 23.006 -3.009 -2.947 1.00 15.00 0 B 1 ATOM 1161 C CG2 . ILE B 1 569 ? 23.505 -5.458 -2.514 1.00 14.62 0 B 1 ATOM 1162 C CD1 . ILE B 1 569 ? 23.657 -2.460 -1.666 1.00 17.57 0 B 1 ATOM 1163 N N . ASN B 1 570 ? 21.591 -7.066 -5.030 1.00 15.89 0 B 1 ATOM 1164 C CA . ASN B 1 570 ? 21.048 -8.433 -5.094 1.00 16.08 0 B 1 ATOM 1165 C C . ASN B 1 570 ? 19.521 -8.435 -5.157 1.00 21.14 0 B 1 ATOM 1166 O O . ASN B 1 570 ? 18.871 -9.205 -4.449 1.00 22.08 0 B 1 ATOM 1167 C CB . ASN B 1 570 ? 21.588 -9.271 -3.934 1.00 16.03 0 B 1 ATOM 1168 C CG . ASN B 1 570 ? 23.083 -9.392 -4.028 1.00 20.22 0 B 1 ATOM 1169 N ND2 . ASN B 1 570 ? 23.786 -9.244 -2.913 1.00 17.06 0 B 1 ATOM 1170 O OD1 . ASN B 1 570 ? 23.636 -9.514 -5.127 1.00 18.32 0 B 1 ATOM 1171 N N . GLY B 1 571 ? 18.987 -7.522 -5.968 1.00 20.41 0 B 1 ATOM 1172 C CA . GLY B 1 571 ? 17.554 -7.367 -6.219 1.00 22.00 0 B 1 ATOM 1173 C C . GLY B 1 571 ? 16.784 -6.603 -5.165 1.00 25.48 0 B 1 ATOM 1174 O O . GLY B 1 571 ? 15.575 -6.411 -5.309 1.00 27.74 0 B 1 ATOM 1175 N N . ARG B 1 572 ? 17.474 -6.125 -4.112 1.00 21.91 0 B 1 ATOM 1176 C CA . ARG B 1 572 ? 16.819 -5.440 -3.005 1.00 21.91 0 B 1 ATOM 1177 C C . ARG B 1 572 ? 16.873 -3.932 -3.116 1.00 23.62 0 B 1 ATOM 1178 O O . ARG B 1 572 ? 17.950 -3.370 -3.310 1.00 19.75 0 B 1 ATOM 1179 C CB . ARG B 1 572 ? 17.472 -5.872 -1.696 1.00 23.09 0 B 1 ATOM 1180 C CG . ARG B 1 572 ? 16.596 -5.662 -0.484 1.00 33.63 0 B 1 ATOM 1181 C CD . ARG B 1 572 ? 17.085 -6.468 0.704 1.00 46.39 0 B 1 ATOM 1182 N NE . ARG B 1 572 ? 17.350 -7.879 0.394 1.00 48.07 0 B 1 ATOM 1183 C CZ . ARG B 1 572 ? 16.467 -8.863 0.545 1.00 60.86 0 B 1 ATOM 1184 N NH1 . ARG B 1 572 ? 16.802 -10.113 0.253 1.00 41.82 0 B 1 ATOM 1185 N NH2 . ARG B 1 572 ? 15.244 -8.605 0.998 1.00 49.06 0 B 1 ATOM 1186 N N . ASP B 1 573 ? 15.730 -3.263 -2.913 1.00 23.36 0 B 1 ATOM 1187 C CA . ASP B 1 573 ? 15.707 -1.807 -2.929 1.00 22.71 0 B 1 ATOM 1188 C C . ASP B 1 573 ? 16.279 -1.312 -1.612 1.00 26.17 0 B 1 ATOM 1189 O O . ASP B 1 573 ? 15.731 -1.598 -0.547 1.00 28.42 0 B 1 ATOM 1190 C CB . ASP B 1 573 ? 14.272 -1.300 -3.193 1.00 25.07 0 B 1 ATOM 1191 C CG . ASP B 1 573 ? 14.067 0.201 -3.249 1.00 31.56 0 B 1 ATOM 1192 O OD1 . ASP B 1 573 ? 14.998 0.937 -2.935 1.00 28.25 0 B 1 ATOM 1193 O OD2 . ASP B 1 573 ? 12.922 0.634 -3.499 1.00 42.36 0 B 1 ATOM 1194 N N . ILE B 1 574 ? 17.410 -0.592 -1.692 1.00 22.01 0 B 1 ATOM 1195 C CA . ILE B 1 574 ? 18.118 -0.106 -0.509 1.00 21.24 0 B 1 ATOM 1196 C C . ILE B 1 574 ? 17.866 1.349 -0.124 1.00 25.12 0 B 1 ATOM 1197 O O . ILE B 1 574 ? 18.534 1.852 0.782 1.00 23.31 0 B 1 ATOM 1198 C CB . ILE B 1 574 ? 19.644 -0.415 -0.625 1.00 22.00 0 B 1 ATOM 1199 C CG1 . ILE B 1 574 ? 20.261 0.100 -1.954 1.00 22.09 0 B 1 ATOM 1200 C CG2 . ILE B 1 574 ? 19.895 -1.907 -0.450 1.00 22.00 0 B 1 ATOM 1201 C CD1 . ILE B 1 574 ? 20.671 1.514 -1.959 1.00 32.70 0 B 1 ATOM 1202 N N . ALA B 1 575 ? 16.907 2.026 -0.781 1.00 24.66 0 B 1 ATOM 1203 C CA . ALA B 1 575 ? 16.650 3.450 -0.536 1.00 26.21 0 B 1 ATOM 1204 C C . ALA B 1 575 ? 16.522 3.852 0.939 1.00 29.87 0 B 1 ATOM 1205 O O . ALA B 1 575 ? 17.016 4.911 1.322 1.00 30.40 0 B 1 ATOM 1206 C CB . ALA B 1 575 ? 15.436 3.920 -1.325 1.00 28.36 0 B 1 ATOM 1207 N N . GLU B 1 576 ? 15.875 3.022 1.756 1.00 26.50 0 B 1 ATOM 1208 C CA . GLU B 1 576 ? 15.687 3.334 3.174 1.00 27.76 0 B 1 ATOM 1209 C C . GLU B 1 576 ? 16.682 2.664 4.138 1.00 29.57 0 B 1 ATOM 1210 O O . GLU B 1 576 ? 16.557 2.817 5.355 1.00 30.63 0 B 1 ATOM 1211 C CB . GLU B 1 576 ? 14.238 3.030 3.592 1.00 31.75 0 B 1 ATOM 1212 C CG . GLU B 1 576 ? 13.228 4.004 3.007 1.00 45.21 0 B 1 ATOM 1213 C CD . GLU B 1 576 ? 11.762 3.727 3.288 1.00 71.87 0 B 1 ATOM 1214 O OE1 . GLU B 1 576 ? 11.454 2.965 4.234 1.00 73.04 0 B 1 ATOM 1215 O OE2 . GLU B 1 576 ? 10.914 4.297 2.564 1.00 68.64 0 B 1 ATOM 1216 N N . HIS B 1 577 ? 17.659 1.922 3.612 1.00 24.63 0 B 1 ATOM 1217 C CA . HIS B 1 577 ? 18.645 1.237 4.439 1.00 23.69 0 B 1 ATOM 1218 C C . HIS B 1 577 ? 19.824 2.112 4.828 1.00 24.04 0 B 1 ATOM 1219 O O . HIS B 1 577 ? 20.224 3.004 4.079 1.00 22.64 0 B 1 ATOM 1220 C CB . HIS B 1 577 ? 19.106 -0.057 3.768 1.00 24.33 0 B 1 ATOM 1221 C CG . HIS B 1 577 ? 18.014 -1.074 3.652 1.00 28.26 0 B 1 ATOM 1222 C CD2 . HIS B 1 577 ? 17.545 -1.953 4.563 1.00 31.86 0 B 1 ATOM 1223 N ND1 . HIS B 1 577 ? 17.315 -1.241 2.478 1.00 30.65 0 B 1 ATOM 1224 C CE1 . HIS B 1 577 ? 16.442 -2.205 2.709 1.00 31.30 0 B 1 ATOM 1225 N NE2 . HIS B 1 577 ? 16.542 -2.663 3.949 1.00 32.32 0 B 1 ATOM 1226 N N . THR B 1 578 ? 20.400 1.842 6.007 1.00 21.47 0 B 1 ATOM 1227 C CA . THR B 1 578 ? 21.552 2.600 6.494 1.00 21.02 0 B 1 ATOM 1228 C C . THR B 1 578 ? 22.820 2.158 5.740 1.00 20.64 0 B 1 ATOM 1229 O O . THR B 1 578 ? 22.834 1.116 5.046 1.00 18.79 0 B 1 ATOM 1230 C CB . THR B 1 578 ? 21.806 2.307 7.973 1.00 24.43 0 B 1 ATOM 1231 C CG2 . THR B 1 578 ? 20.618 2.647 8.873 1.00 21.88 0 B 1 ATOM 1232 O OG1 . THR B 1 578 ? 22.177 0.926 8.089 1.00 23.50 0 B 1 ATOM 1233 N N . HIS B 1 579 ? 23.897 2.929 5.908 1.00 18.72 0 B 1 ATOM 1234 C CA . HIS B 1 579 ? 25.203 2.608 5.322 1.00 16.74 0 B 1 ATOM 1235 C C . HIS B 1 579 ? 25.633 1.197 5.726 1.00 17.34 0 B 1 ATOM 1236 O O . HIS B 1 579 ? 26.024 0.397 4.865 1.00 15.92 0 B 1 ATOM 1237 C CB . HIS B 1 579 ? 26.269 3.620 5.774 1.00 17.59 0 B 1 ATOM 1238 C CG . HIS B 1 579 ? 27.627 3.340 5.207 1.00 18.45 0 B 1 ATOM 1239 C CD2 . HIS B 1 579 ? 28.648 2.612 5.720 1.00 20.07 0 B 1 ATOM 1240 N ND1 . HIS B 1 579 ? 28.013 3.843 3.974 1.00 18.36 0 B 1 ATOM 1241 C CE1 . HIS B 1 579 ? 29.241 3.382 3.760 1.00 17.64 0 B 1 ATOM 1242 N NE2 . HIS B 1 579 ? 29.663 2.635 4.783 1.00 18.34 0 B 1 ATOM 1243 N N . ASP B 1 580 ? 25.569 0.884 7.040 1.00 17.95 0 B 1 ATOM 1244 C CA . ASP B 1 580 ? 26.008 -0.440 7.473 1.00 17.03 0 B 1 ATOM 1245 C C . ASP B 1 580 ? 25.088 -1.572 7.007 1.00 19.57 0 B 1 ATOM 1246 O O . ASP B 1 580 ? 25.587 -2.673 6.766 1.00 17.37 0 B 1 ATOM 1247 C CB . ASP B 1 580 ? 26.233 -0.447 8.994 1.00 19.97 0 B 1 ATOM 1248 C CG . ASP B 1 580 ? 27.465 0.321 9.463 1.00 25.47 0 B 1 ATOM 1249 O OD1 . ASP B 1 580 ? 28.268 0.759 8.602 1.00 25.58 0 B 1 ATOM 1250 O OD2 . ASP B 1 580 ? 27.677 0.411 10.697 1.00 29.12 0 B 1 ATOM 1251 N N . GLN B 1 581 ? 23.769 -1.308 6.816 1.00 19.70 0 B 1 ATOM 1252 C CA . GLN B 1 581 ? 22.892 -2.357 6.257 1.00 18.61 0 B 1 ATOM 1253 C C . GLN B 1 581 ? 23.303 -2.608 4.808 1.00 19.92 0 B 1 ATOM 1254 O O . GLN B 1 581 ? 23.331 -3.753 4.372 1.00 19.24 0 B 1 ATOM 1255 C CB . GLN B 1 581 ? 21.418 -1.951 6.316 1.00 21.32 0 B 1 ATOM 1256 C CG . GLN B 1 581 ? 20.892 -2.008 7.744 1.00 20.76 0 B 1 ATOM 1257 C CD . GLN B 1 581 ? 19.478 -1.501 7.840 1.00 30.43 0 B 1 ATOM 1258 N NE2 . GLN B 1 581 ? 18.673 -2.171 8.644 1.00 34.67 0 B 1 ATOM 1259 O OE1 . GLN B 1 581 ? 19.092 -0.510 7.212 1.00 25.12 0 B 1 ATOM 1260 N N . VAL B 1 582 ? 23.602 -1.530 4.052 1.00 16.25 0 B 1 ATOM 1261 C CA . VAL B 1 582 ? 24.074 -1.661 2.670 1.00 14.62 0 B 1 ATOM 1262 C C . VAL B 1 582 ? 25.358 -2.506 2.616 1.00 14.70 0 B 1 ATOM 1263 O O . VAL B 1 582 ? 25.495 -3.390 1.768 1.00 14.58 0 B 1 ATOM 1264 C CB . VAL B 1 582 ? 24.278 -0.255 2.059 1.00 17.75 0 B 1 ATOM 1265 C CG1 . VAL B 1 582 ? 25.182 -0.274 0.812 1.00 17.31 0 B 1 ATOM 1266 C CG2 . VAL B 1 582 ? 22.915 0.415 1.759 1.00 18.73 0 B 1 ATOM 1267 N N . VAL B 1 583 ? 26.312 -2.213 3.504 1.00 13.61 0 B 1 ATOM 1268 C CA . VAL B 1 583 ? 27.577 -2.959 3.557 1.00 12.61 0 B 1 ATOM 1269 C C . VAL B 1 583 ? 27.264 -4.440 3.814 1.00 15.15 0 B 1 ATOM 1270 O O . VAL B 1 583 ? 27.786 -5.303 3.097 1.00 14.10 0 B 1 ATOM 1271 C CB . VAL B 1 583 ? 28.512 -2.379 4.638 1.00 15.29 0 B 1 ATOM 1272 C CG1 . VAL B 1 583 ? 29.640 -3.347 5.001 1.00 15.08 0 B 1 ATOM 1273 C CG2 . VAL B 1 583 ? 29.068 -1.039 4.186 1.00 15.01 0 B 1 ATOM 1274 N N . LEU B 1 584 ? 26.371 -4.722 4.781 1.00 14.66 0 B 1 ATOM 1275 C CA . LEU B 1 584 ? 25.997 -6.114 5.061 1.00 15.08 0 B 1 ATOM 1276 C C . LEU B 1 584 ? 25.313 -6.805 3.845 1.00 18.03 0 B 1 ATOM 1277 O O . LEU B 1 584 ? 25.672 -7.939 3.525 1.00 16.79 0 B 1 ATOM 1278 C CB . LEU B 1 584 ? 25.196 -6.273 6.361 1.00 17.35 0 B 1 ATOM 1279 C CG . LEU B 1 584 ? 24.860 -7.714 6.715 1.00 20.70 0 B 1 ATOM 1280 C CD1 . LEU B 1 584 ? 26.145 -8.567 6.951 1.00 20.47 0 B 1 ATOM 1281 C CD2 . LEU B 1 584 ? 23.905 -7.771 7.851 1.00 25.19 0 B 1 ATOM 1282 N N . PHE B 1 585 ? 24.415 -6.117 3.135 1.00 16.61 0 B 1 ATOM 1283 C CA . PHE B 1 585 ? 23.795 -6.712 1.943 1.00 16.62 0 B 1 ATOM 1284 C C . PHE B 1 585 ? 24.867 -7.086 0.927 1.00 15.75 0 B 1 ATOM 1285 O O . PHE B 1 585 ? 24.778 -8.154 0.338 1.00 15.36 0 B 1 ATOM 1286 C CB . PHE B 1 585 ? 22.807 -5.745 1.296 1.00 18.35 0 B 1 ATOM 1287 C CG . PHE B 1 585 ? 21.507 -5.550 2.037 1.00 22.79 0 B 1 ATOM 1288 C CD1 . PHE B 1 585 ? 20.790 -6.642 2.517 1.00 28.76 0 B 1 ATOM 1289 C CD2 . PHE B 1 585 ? 20.956 -4.282 2.177 1.00 26.30 0 B 1 ATOM 1290 C CE1 . PHE B 1 585 ? 19.587 -6.459 3.204 1.00 32.52 0 B 1 ATOM 1291 C CE2 . PHE B 1 585 ? 19.745 -4.100 2.850 1.00 32.76 0 B 1 ATOM 1292 C CZ . PHE B 1 585 ? 19.074 -5.187 3.363 1.00 32.59 0 B 1 ATOM 1293 N N . ILE B 1 586 ? 25.916 -6.259 0.762 1.00 12.11 0 B 1 ATOM 1294 C CA . ILE B 1 586 ? 26.989 -6.612 -0.150 1.00 10.71 0 B 1 ATOM 1295 C C . ILE B 1 586 ? 27.740 -7.836 0.353 1.00 15.38 0 B 1 ATOM 1296 O O . ILE B 1 586 ? 28.008 -8.766 -0.427 1.00 14.26 0 B 1 ATOM 1297 C CB . ILE B 1 586 ? 27.891 -5.406 -0.460 1.00 12.32 0 B 1 ATOM 1298 C CG1 . ILE B 1 586 ? 27.068 -4.321 -1.217 1.00 12.85 0 B 1 ATOM 1299 C CG2 . ILE B 1 586 ? 29.114 -5.830 -1.307 1.00 12.26 0 B 1 ATOM 1300 C CD1 . ILE B 1 586 ? 27.688 -2.944 -1.142 1.00 13.10 0 B 1 ATOM 1301 N N . LYS B 1 587 ? 28.052 -7.859 1.661 1.00 14.57 0 B 1 ATOM 1302 C CA . LYS B 1 587 ? 28.772 -9.007 2.245 1.00 15.09 0 B 1 ATOM 1303 C C . LYS B 1 587 ? 27.967 -10.315 2.261 1.00 16.39 0 B 1 ATOM 1304 O O . LYS B 1 587 ? 28.579 -11.405 2.314 1.00 17.38 0 B 1 ATOM 1305 C CB . LYS B 1 587 ? 29.352 -8.626 3.638 1.00 19.73 0 B 1 ATOM 1306 C CG . LYS B 1 587 ? 30.677 -7.905 3.391 1.00 27.50 0 B 1 ATOM 1307 C CD . LYS B 1 587 ? 31.304 -7.186 4.551 1.00 37.63 0 B 1 ATOM 1308 C CE . LYS B 1 587 ? 32.415 -6.284 4.057 1.00 28.15 0 B 1 ATOM 1309 N NZ . LYS B 1 587 ? 33.549 -7.025 3.420 1.00 26.86 0 B 1 ATOM 1310 N N . ALA B 1 588 ? 26.626 -10.233 2.166 1.00 16.20 0 B 1 ATOM 1311 C CA . ALA B 1 588 ? 25.729 -11.387 2.110 1.00 15.87 0 B 1 ATOM 1312 C C . ALA B 1 588 ? 25.530 -11.927 0.703 1.00 19.02 0 B 1 ATOM 1313 O O . ALA B 1 588 ? 24.734 -12.851 0.502 1.00 20.21 0 B 1 ATOM 1314 C CB . ALA B 1 588 ? 24.369 -11.006 2.695 1.00 17.95 0 B 1 ATOM 1315 N N . SER B 1 589 ? 26.259 -11.381 -0.283 1.00 15.95 0 B 1 ATOM 1316 C CA . SER B 1 589 ? 26.056 -11.787 -1.691 1.00 15.09 0 B 1 ATOM 1317 C C . SER B 1 589 ? 26.204 -13.255 -1.994 1.00 19.73 0 B 1 ATOM 1318 O O . SER B 1 589 ? 25.572 -13.734 -2.935 1.00 19.86 0 B 1 ATOM 1319 C CB . SER B 1 589 ? 27.005 -11.030 -2.612 1.00 15.94 0 B 1 ATOM 1320 O OG . SER B 1 589 ? 26.709 -9.650 -2.551 1.00 15.68 0 B 1 ATOM 1321 N N . CYS B 1 590 ? 27.075 -13.960 -1.282 1.00 15.86 0 B 1 ATOM 1322 C CA . CYS B 1 590 ? 27.326 -15.373 -1.514 1.00 17.26 0 B 1 ATOM 1323 C C . CYS B 1 590 ? 26.450 -16.315 -0.702 1.00 22.90 0 B 1 ATOM 1324 O O . CYS B 1 590 ? 26.670 -17.526 -0.750 1.00 25.94 0 B 1 ATOM 1325 C CB . CYS B 1 590 ? 28.802 -15.677 -1.331 1.00 16.10 0 B 1 ATOM 1326 S SG . CYS B 1 590 ? 29.863 -14.758 -2.472 1.00 18.35 0 B 1 ATOM 1327 N N . GLU B 1 591 ? 25.430 -15.785 -0.002 1.00 18.97 0 B 1 ATOM 1328 C CA . GLU B 1 591 ? 24.481 -16.639 0.737 1.00 21.53 0 B 1 ATOM 1329 C C . GLU B 1 591 ? 23.617 -17.416 -0.256 1.00 52.76 0 B 1 ATOM 1330 O O . GLU B 1 591 ? 23.384 -16.921 -1.356 1.00 27.72 0 B 1 ATOM 1331 C CB . GLU B 1 591 ? 23.561 -15.786 1.623 1.00 22.99 0 B 1 ATOM 1332 C CG . GLU B 1 591 ? 24.213 -15.080 2.802 1.00 25.15 0 B 1 ATOM 1333 C CD . GLU B 1 591 ? 24.689 -15.883 4.000 1.00 41.23 0 B 1 ATOM 1334 O OE1 . GLU B 1 591 ? 25.330 -15.269 4.879 1.00 32.14 0 B 1 ATOM 1335 O OE2 . GLU B 1 591 ? 24.474 -17.114 4.051 1.00 31.20 0 B 1 ATOM 1336 N N . SER B 1 594 ? 24.265 -18.256 -3.943 1.00 27.66 0 B 1 ATOM 1337 C CA . SER B 1 594 ? 24.708 -17.325 -4.966 1.00 26.42 0 B 1 ATOM 1338 C C . SER B 1 594 ? 26.222 -17.166 -4.923 1.00 29.37 0 B 1 ATOM 1339 O O . SER B 1 594 ? 26.827 -17.266 -3.864 1.00 28.84 0 B 1 ATOM 1340 C CB . SER B 1 594 ? 24.037 -15.970 -4.755 1.00 28.22 0 B 1 ATOM 1341 O OG . SER B 1 594 ? 24.734 -14.920 -5.412 1.00 31.53 0 B 1 ATOM 1342 N N . GLY B 1 595 ? 26.826 -16.959 -6.079 1.00 24.90 0 B 1 ATOM 1343 C CA . GLY B 1 595 ? 28.268 -16.763 -6.140 1.00 23.54 0 B 1 ATOM 1344 C C . GLY B 1 595 ? 28.595 -15.391 -6.670 1.00 23.89 0 B 1 ATOM 1345 O O . GLY B 1 595 ? 29.719 -15.151 -7.110 1.00 23.19 0 B 1 ATOM 1346 N N . GLU B 1 596 ? 27.590 -14.518 -6.734 1.00 19.38 0 B 1 ATOM 1347 C CA . GLU B 1 596 ? 27.801 -13.198 -7.304 1.00 18.95 0 B 1 ATOM 1348 C C . GLU B 1 596 ? 27.032 -12.101 -6.636 1.00 20.47 0 B 1 ATOM 1349 O O . GLU B 1 596 ? 25.994 -12.313 -5.996 1.00 21.63 0 B 1 ATOM 1350 C CB . GLU B 1 596 ? 27.595 -13.182 -8.844 1.00 22.62 0 B 1 ATOM 1351 C CG . GLU B 1 596 ? 26.163 -13.169 -9.328 1.00 33.26 0 B 1 ATOM 1352 C CD . GLU B 1 596 ? 25.991 -13.498 -10.804 1.00 52.35 0 B 1 ATOM 1353 O OE1 . GLU B 1 596 ? 24.981 -14.154 -11.142 1.00 53.81 0 B 1 ATOM 1354 O OE2 . GLU B 1 596 ? 26.874 -13.134 -11.617 1.00 38.49 0 B 1 ATOM 1355 N N . LEU B 1 597 ? 27.565 -10.907 -6.804 1.00 16.01 0 B 1 ATOM 1356 C CA . LEU B 1 597 ? 26.936 -9.669 -6.392 1.00 13.85 0 B 1 ATOM 1357 C C . LEU B 1 597 ? 26.279 -9.074 -7.612 1.00 15.34 0 B 1 ATOM 1358 O O . LEU B 1 597 ? 26.909 -8.978 -8.673 1.00 14.50 0 B 1 ATOM 1359 C CB . LEU B 1 597 ? 27.981 -8.695 -5.836 1.00 12.16 0 B 1 ATOM 1360 C CG . LEU B 1 597 ? 27.532 -7.218 -5.663 1.00 13.08 0 B 1 ATOM 1361 C CD1 . LEU B 1 597 ? 26.470 -7.057 -4.558 1.00 13.85 0 B 1 ATOM 1362 C CD2 . LEU B 1 597 ? 28.730 -6.336 -5.390 1.00 12.74 0 B 1 ATOM 1363 N N . MET B 1 598 ? 25.016 -8.667 -7.462 1.00 13.41 0 B 1 ATOM 1364 C CA . MET B 1 598 ? 24.300 -7.980 -8.522 1.00 14.68 0 B 1 ATOM 1365 C C . MET B 1 598 ? 23.992 -6.564 -8.011 1.00 17.47 0 B 1 ATOM 1366 O O . MET B 1 598 ? 23.513 -6.398 -6.889 1.00 20.90 0 B 1 ATOM 1367 C CB . MET B 1 598 ? 23.005 -8.732 -8.910 1.00 18.63 0 B 1 ATOM 1368 N N . LEU B 1 599 ? 24.385 -5.543 -8.763 1.00 13.45 0 B 1 ATOM 1369 C CA . LEU B 1 599 ? 24.037 -4.181 -8.403 1.00 13.01 0 B 1 ATOM 1370 C C . LEU B 1 599 ? 23.249 -3.592 -9.530 1.00 16.12 0 B 1 ATOM 1371 O O . LEU B 1 599 ? 23.595 -3.802 -10.700 1.00 17.94 0 B 1 ATOM 1372 C CB . LEU B 1 599 ? 25.295 -3.282 -8.241 1.00 12.11 0 B 1 ATOM 1373 C CG . LEU B 1 599 ? 26.240 -3.662 -7.123 1.00 13.90 0 B 1 ATOM 1374 C CD1 . LEU B 1 599 ? 27.538 -2.860 -7.252 1.00 14.27 0 B 1 ATOM 1375 C CD2 . LEU B 1 599 ? 25.611 -3.388 -5.766 1.00 15.81 0 B 1 ATOM 1376 N N . LEU B 1 600 ? 22.195 -2.844 -9.197 1.00 13.16 0 B 1 ATOM 1377 C CA . LEU B 1 600 ? 21.495 -2.063 -10.219 1.00 13.45 0 B 1 ATOM 1378 C C . LEU B 1 600 ? 21.889 -0.613 -9.913 1.00 15.66 0 B 1 ATOM 1379 O O . LEU B 1 600 ? 21.678 -0.156 -8.788 1.00 14.75 0 B 1 ATOM 1380 C CB . LEU B 1 600 ? 19.982 -2.250 -10.158 1.00 15.07 0 B 1 ATOM 1381 C CG . LEU B 1 600 ? 19.188 -1.490 -11.234 1.00 17.68 0 B 1 ATOM 1382 C CD1 . LEU B 1 600 ? 19.479 -2.047 -12.649 1.00 16.56 0 B 1 ATOM 1383 C CD2 . LEU B 1 600 ? 17.703 -1.526 -10.935 1.00 19.48 0 B 1 ATOM 1384 N N . VAL B 1 601 ? 22.478 0.068 -10.891 1.00 13.90 0 B 1 ATOM 1385 C CA . VAL B 1 601 ? 22.972 1.424 -10.661 1.00 13.75 0 B 1 ATOM 1386 C C . VAL B 1 601 ? 22.462 2.416 -11.645 1.00 17.10 0 B 1 ATOM 1387 O O . VAL B 1 601 ? 22.097 2.072 -12.782 1.00 16.89 0 B 1 ATOM 1388 C CB . VAL B 1 601 ? 24.529 1.462 -10.635 1.00 15.91 0 B 1 ATOM 1389 C CG1 . VAL B 1 601 ? 25.098 0.471 -9.613 1.00 14.68 0 B 1 ATOM 1390 C CG2 . VAL B 1 601 ? 25.125 1.224 -12.021 1.00 16.27 0 B 1 ATOM 1391 N N . ARG B 1 602 ? 22.520 3.687 -11.224 1.00 16.82 0 B 1 ATOM 1392 C CA . ARG B 1 602 ? 22.252 4.848 -12.053 1.00 17.19 0 B 1 ATOM 1393 C C . ARG B 1 602 ? 23.630 5.415 -12.373 1.00 19.63 0 B 1 ATOM 1394 O O . ARG B 1 602 ? 24.317 5.872 -11.458 1.00 18.11 0 B 1 ATOM 1395 C CB . ARG B 1 602 ? 21.389 5.864 -11.300 1.00 17.82 0 B 1 ATOM 1396 C CG . ARG B 1 602 ? 21.232 7.216 -12.006 1.00 33.13 0 B 1 ATOM 1397 C CD . ARG B 1 602 ? 20.030 7.293 -12.922 1.00 47.04 0 B 1 ATOM 1398 N NE . ARG B 1 602 ? 19.913 8.629 -13.514 1.00 61.06 0 B 1 ATOM 1399 C CZ . ARG B 1 602 ? 18.933 9.012 -14.324 1.00 79.08 0 B 1 ATOM 1400 N NH1 . ARG B 1 602 ? 17.963 8.166 -14.651 1.00 64.22 0 B 1 ATOM 1401 N NH2 . ARG B 1 602 ? 18.912 10.245 -14.810 1.00 72.80 0 B 1 ATOM 1402 N N . PRO B 1 603 ? 24.107 5.345 -13.635 1.00 22.02 0 B 1 ATOM 1403 C CA . PRO B 1 603 ? 25.452 5.884 -13.939 1.00 24.64 0 B 1 ATOM 1404 C C . PRO B 1 603 ? 25.547 7.386 -13.682 1.00 33.14 0 B 1 ATOM 1405 O O . PRO B 1 603 ? 24.544 8.084 -13.795 1.00 33.22 0 B 1 ATOM 1406 C CB . PRO B 1 603 ? 25.640 5.572 -15.432 1.00 27.44 0 B 1 ATOM 1407 C CG . PRO B 1 603 ? 24.615 4.560 -15.758 1.00 31.81 0 B 1 ATOM 1408 C CD . PRO B 1 603 ? 23.451 4.830 -14.850 1.00 25.82 0 B 1 ATOM 1409 N N . ASN B 1 604 ? 26.742 7.881 -13.293 1.00 34.22 0 B 1 ATOM 1410 C CA . ASN B 1 604 ? 26.953 9.305 -13.000 1.00 65.02 0 B 1 ATOM 1411 C C . ASN B 1 604 ? 26.979 10.178 -14.245 1.00 92.63 0 B 1 ATOM 1412 O O . ASN B 1 604 ? 26.535 11.322 -14.187 1.00 58.08 0 B 1 ATOM 1413 C CB . ASN B 1 604 ? 28.207 9.528 -12.146 1.00 65.26 0 B 1 ATOM 1414 C CG . ASN B 1 604 ? 29.442 8.808 -12.631 1.00 78.97 0 B 1 ATOM 1415 N ND2 . ASN B 1 604 ? 30.521 9.555 -12.819 1.00 68.61 0 B 1 ATOM 1416 O OD1 . ASN B 1 604 ? 29.458 7.578 -12.791 1.00 68.46 0 B 1 ATOM 1417 N N . SER C 2 1 ? 24.947 -6.077 16.597 1.00 11.11 0 C 1 ATOM 1418 C CA . SER C 2 1 ? 25.278 -5.205 15.460 1.00 10.97 0 C 1 ATOM 1419 C C . SER C 2 1 ? 25.254 -6.046 14.207 1.00 12.11 0 C 1 ATOM 1420 O O . SER C 2 1 ? 25.083 -7.273 14.299 1.00 12.43 0 C 1 ATOM 1421 C CB . SER C 2 1 ? 26.643 -4.546 15.647 1.00 12.76 0 C 1 ATOM 1422 O OG . SER C 2 1 ? 26.659 -3.914 16.921 1.00 13.43 0 C 1 ATOM 1423 N N . TRP C 2 2 ? 25.340 -5.376 13.025 1.00 12.70 0 C 1 ATOM 1424 C CA . TRP C 2 2 ? 25.342 -6.098 11.757 1.00 13.61 0 C 1 ATOM 1425 C C . TRP C 2 2 ? 24.118 -7.007 11.639 1.00 15.31 0 C 1 ATOM 1426 O O . TRP C 2 2 ? 24.220 -8.139 11.184 1.00 16.59 0 C 1 ATOM 1427 C CB . TRP C 2 2 ? 26.671 -6.884 11.580 1.00 13.31 0 C 1 ATOM 1428 C CG . TRP C 2 2 ? 27.889 -5.997 11.582 1.00 12.07 0 C 1 ATOM 1429 C CD1 . TRP C 2 2 ? 28.900 -5.986 12.500 1.00 12.56 0 C 1 ATOM 1430 C CD2 . TRP C 2 2 ? 28.185 -4.958 10.642 1.00 12.59 0 C 1 ATOM 1431 C CE2 . TRP C 2 2 ? 29.409 -4.370 11.032 1.00 15.01 0 C 1 ATOM 1432 C CE3 . TRP C 2 2 ? 27.569 -4.511 9.466 1.00 14.44 0 C 1 ATOM 1433 N NE1 . TRP C 2 2 ? 29.805 -4.996 12.192 1.00 13.76 0 C 1 ATOM 1434 C CZ2 . TRP C 2 2 ? 29.989 -3.310 10.333 1.00 15.92 0 C 1 ATOM 1435 C CZ3 . TRP C 2 2 ? 28.162 -3.487 8.745 1.00 17.20 0 C 1 ATOM 1436 C CH2 . TRP C 2 2 ? 29.360 -2.893 9.177 1.00 17.37 0 C 1 ATOM 1437 N N . GLU C 2 3 ? 22.950 -6.500 12.058 1.00 15.36 0 C 1 ATOM 1438 C CA . GLU C 2 3 ? 21.674 -7.226 11.990 1.00 17.28 0 C 1 ATOM 1439 C C . GLU C 2 3 ? 21.601 -8.485 12.844 1.00 18.76 0 C 1 ATOM 1440 O O . GLU C 2 3 ? 20.785 -9.369 12.600 1.00 21.97 0 C 1 ATOM 1441 C CB . GLU C 2 3 ? 21.181 -7.456 10.545 1.00 20.61 0 C 1 ATOM 1442 C CG . GLU C 2 3 ? 21.028 -6.171 9.738 1.00 25.89 0 C 1 ATOM 1443 C CD . GLU C 2 3 ? 19.791 -5.344 10.019 1.00 53.14 0 C 1 ATOM 1444 O OE1 . GLU C 2 3 ? 18.832 -5.435 9.219 1.00 54.44 0 C 1 ATOM 1445 O OE2 . GLU C 2 3 ? 19.800 -4.561 10.996 1.00 47.22 0 C 1 ATOM 1446 N N . SER C 2 4 ? 22.446 -8.543 13.877 1.00 14.03 0 C 1 ATOM 1447 C CA A SER C 2 4 ? 22.433 -9.631 14.843 0.50 13.27 0 C 1 ATOM 1448 C CA B SER C 2 4 ? 22.497 -9.631 14.846 0.50 13.14 0 C 1 ATOM 1449 C C . SER C 2 4 ? 22.243 -9.005 16.220 1.00 13.94 0 C 1 ATOM 1450 O O . SER C 2 4 ? 22.721 -7.891 16.488 1.00 14.66 0 C 1 ATOM 1451 C CB A SER C 2 4 ? 23.699 -10.473 14.762 0.50 14.97 0 C 1 ATOM 1452 C CB B SER C 2 4 ? 23.859 -10.309 14.806 0.50 15.02 0 C 1 ATOM 1453 O OG A SER C 2 4 ? 23.547 -11.520 13.808 0.50 14.46 0 C 1 ATOM 1454 O OG B SER C 2 4 ? 24.191 -10.701 13.480 0.50 19.20 0 C 1 ATOM 1455 N N . HIS C 2 5 ? 21.507 -9.684 17.083 1.00 12.07 0 C 1 ATOM 1456 C CA . HIS C 2 5 ? 21.204 -9.194 18.421 1.00 11.39 0 C 1 ATOM 1457 C C . HIS C 2 5 ? 22.427 -9.209 19.294 1.00 11.53 0 C 1 ATOM 1458 O O . HIS C 2 5 ? 23.092 -10.246 19.411 1.00 10.52 0 C 1 ATOM 1459 C CB . HIS C 2 5 ? 20.108 -10.060 19.072 1.00 13.18 0 C 1 ATOM 1460 C CG . HIS C 2 5 ? 19.512 -9.421 20.287 1.00 17.73 0 C 1 ATOM 1461 C CD2 . HIS C 2 5 ? 18.633 -8.391 20.378 1.00 21.36 0 C 1 ATOM 1462 N ND1 . HIS C 2 5 ? 19.868 -9.822 21.563 1.00 20.36 0 C 1 ATOM 1463 C CE1 . HIS C 2 5 ? 19.135 -9.078 22.388 1.00 20.78 0 C 1 ATOM 1464 N NE2 . HIS C 2 5 ? 18.406 -8.179 21.724 1.00 22.29 0 C 1 ATOM 1465 N N . LYS C 2 6 ? 22.717 -8.076 19.931 1.00 9.03 0 C 1 ATOM 1466 C CA . LYS C 2 6 ? 23.840 -7.924 20.843 1.00 8.88 0 C 1 ATOM 1467 C C . LYS C 2 6 ? 23.286 -7.452 22.188 1.00 10.34 0 C 1 ATOM 1468 O O . LYS C 2 6 ? 22.502 -6.488 22.244 1.00 9.79 0 C 1 ATOM 1469 C CB . LYS C 2 6 ? 24.869 -6.945 20.285 1.00 9.72 0 C 1 ATOM 1470 C CG . LYS C 2 6 ? 26.126 -6.828 21.146 1.00 8.79 0 C 1 ATOM 1471 C CD . LYS C 2 6 ? 27.225 -6.002 20.454 1.00 8.75 0 C 1 ATOM 1472 C CE . LYS C 2 6 ? 28.489 -5.901 21.257 1.00 10.17 0 C 1 ATOM 1473 N NZ . LYS C 2 6 ? 29.505 -5.105 20.464 1.00 9.48 0 C 1 ATOM 1474 N N . SER C 2 7 ? 23.699 -8.123 23.263 1.00 10.36 0 C 1 ATOM 1475 C CA . SER C 2 7 ? 23.213 -7.780 24.590 1.00 8.73 0 C 1 ATOM 1476 C C . SER C 2 7 ? 24.296 -8.242 25.574 1.00 9.98 0 C 1 ATOM 1477 O O . SER C 2 7 ? 24.798 -9.381 25.423 1.00 9.76 0 C 1 ATOM 1478 C CB . SER C 2 7 ? 21.900 -8.501 24.853 1.00 10.87 0 C 1 ATOM 1479 O OG . SER C 2 7 ? 21.400 -8.185 26.144 1.00 11.94 0 C 1 ATOM 1480 N N . GLY C 2 8 ? 24.675 -7.399 26.533 1.00 8.82 0 C 1 ATOM 1481 C CA . GLY C 2 8 ? 25.714 -7.783 27.486 1.00 8.83 0 C 1 ATOM 1482 C C . GLY C 2 8 ? 27.041 -8.085 26.807 1.00 11.93 0 C 1 ATOM 1483 O O . GLY C 2 8 ? 27.843 -8.862 27.331 1.00 13.03 0 C 1 ATOM 1484 N N . GLY C 2 9 ? 27.280 -7.479 25.645 1.00 9.32 0 C 1 ATOM 1485 C CA . GLY C 2 9 ? 28.520 -7.707 24.911 1.00 9.68 0 C 1 ATOM 1486 C C . GLY C 2 9 ? 28.580 -9.057 24.229 1.00 10.62 0 C 1 ATOM 1487 O O . GLY C 2 9 ? 29.650 -9.500 23.826 1.00 11.39 0 C 1 ATOM 1488 N N . GLU C 2 10 ? 27.421 -9.720 24.068 1.00 9.83 0 C 1 ATOM 1489 C CA . GLU C 2 10 ? 27.325 -11.049 23.445 1.00 9.28 0 C 1 ATOM 1490 C C . GLU C 2 10 ? 26.442 -10.938 22.215 1.00 10.38 0 C 1 ATOM 1491 O O . GLU C 2 10 ? 25.350 -10.355 22.324 1.00 9.57 0 C 1 ATOM 1492 C CB . GLU C 2 10 ? 26.637 -11.976 24.482 1.00 10.72 0 C 1 ATOM 1493 C CG . GLU C 2 10 ? 26.346 -13.377 23.969 1.00 11.95 0 C 1 ATOM 1494 C CD . GLU C 2 10 ? 25.654 -14.286 24.971 1.00 15.70 0 C 1 ATOM 1495 O OE1 . GLU C 2 10 ? 24.901 -13.783 25.838 1.00 22.50 0 C 1 ATOM 1496 O OE2 . GLU C 2 10 ? 25.849 -15.513 24.884 1.00 12.51 0 C 1 ATOM 1497 N N . THR C 2 11 ? 26.869 -11.509 21.084 1.00 7.61 0 C 1 ATOM 1498 C CA . THR C 2 11 ? 26.091 -11.446 19.858 1.00 7.45 0 C 1 ATOM 1499 C C . THR C 2 11 ? 25.655 -12.831 19.473 1.00 10.11 0 C 1 ATOM 1500 O O . THR C 2 11 ? 26.442 -13.770 19.601 1.00 9.25 0 C 1 ATOM 1501 C CB . THR C 2 11 ? 26.910 -10.800 18.733 1.00 9.90 0 C 1 ATOM 1502 C CG2 . THR C 2 11 ? 26.119 -10.683 17.430 1.00 9.63 0 C 1 ATOM 1503 O OG1 . THR C 2 11 ? 27.257 -9.469 19.154 1.00 9.19 0 C 1 ATOM 1504 N N . ARG C 2 12 ? 24.404 -12.965 18.985 1.00 10.51 0 C 1 ATOM 1505 C CA . ARG C 2 12 ? 23.850 -14.204 18.479 1.00 10.55 0 C 1 ATOM 1506 C C . ARG C 2 12 ? 24.091 -14.285 16.976 1.00 13.06 0 C 1 ATOM 1507 O O . ARG C 2 12 ? 23.651 -13.394 16.231 1.00 13.74 0 C 1 ATOM 1508 C CB . ARG C 2 12 ? 22.337 -14.246 18.727 1.00 14.60 0 C 1 ATOM 1509 C CG . ARG C 2 12 ? 21.896 -14.219 20.159 1.00 20.29 0 C 1 ATOM 1510 C CD . ARG C 2 12 ? 20.382 -14.340 20.172 1.00 35.90 0 C 1 ATOM 1511 N NE . ARG C 2 12 ? 19.790 -13.907 21.435 1.00 44.98 0 C 1 ATOM 1512 C CZ . ARG C 2 12 ? 18.654 -13.221 21.526 1.00 56.04 0 C 1 ATOM 1513 N NH1 . ARG C 2 12 ? 18.002 -12.852 20.429 1.00 32.27 0 C 1 ATOM 1514 N NH2 . ARG C 2 12 ? 18.174 -12.878 22.713 1.00 47.00 0 C 1 ATOM 1515 N N . LEU C 2 13 ? 24.722 -15.366 16.526 1.00 10.82 0 C 1 ATOM 1516 C CA . LEU C 2 13 ? 25.082 -15.606 15.115 1.00 11.91 0 C 1 ATOM 1517 C C . LEU C 2 13 ? 24.369 -16.785 14.532 1.00 11.92 0 C 1 ATOM 1518 O O . LEU C 2 13 ? 23.742 -17.577 15.294 1.00 12.41 0 C 1 ATOM 1519 C CB . LEU C 2 13 ? 26.619 -15.883 14.943 1.00 12.75 0 C 1 ATOM 1520 C CG . LEU C 2 13 ? 27.592 -14.714 15.072 1.00 18.89 0 C 1 ATOM 1521 C CD1 . LEU C 2 13 ? 27.246 -13.548 14.138 1.00 19.86 0 C 1 ATOM 1522 C CD2 . LEU C 2 13 ? 27.933 -14.398 16.511 1.00 23.18 0 C 1 ATOM 1523 O OXT . LEU C 2 13 ? 24.497 -16.988 13.313 1.00 12.66 0 C 1 ATOM 1524 N N . GLY D 2 9 ? 32.660 7.702 6.780 1.00 29.20 0 D 1 ATOM 1525 C CA . GLY D 2 9 ? 31.411 7.410 6.080 1.00 28.17 0 D 1 ATOM 1526 C C . GLY D 2 9 ? 31.575 6.519 4.863 1.00 30.50 0 D 1 ATOM 1527 O O . GLY D 2 9 ? 30.602 6.255 4.147 1.00 29.84 0 D 1 ATOM 1528 N N . GLU D 2 10 ? 32.798 6.039 4.643 1.00 26.35 0 D 1 ATOM 1529 C CA . GLU D 2 10 ? 33.176 5.199 3.510 1.00 24.68 0 D 1 ATOM 1530 C C . GLU D 2 10 ? 33.597 3.794 3.946 1.00 24.62 0 D 1 ATOM 1531 O O . GLU D 2 10 ? 34.334 3.647 4.920 1.00 23.89 0 D 1 ATOM 1532 C CB . GLU D 2 10 ? 34.336 5.884 2.769 1.00 26.38 0 D 1 ATOM 1533 C CG . GLU D 2 10 ? 34.678 5.273 1.424 1.00 32.13 0 D 1 ATOM 1534 C CD . GLU D 2 10 ? 35.880 5.864 0.714 1.00 44.28 0 D 1 ATOM 1535 O OE1 . GLU D 2 10 ? 36.763 6.456 1.378 1.00 43.79 0 D 1 ATOM 1536 O OE2 . GLU D 2 10 ? 35.946 5.708 -0.523 1.00 30.19 0 D 1 ATOM 1537 N N . THR D 2 11 ? 33.194 2.770 3.172 1.00 19.39 0 D 1 ATOM 1538 C CA . THR D 2 11 ? 33.588 1.384 3.443 1.00 18.14 0 D 1 ATOM 1539 C C . THR D 2 11 ? 34.129 0.754 2.160 1.00 18.55 0 D 1 ATOM 1540 O O . THR D 2 11 ? 33.533 0.911 1.090 1.00 18.02 0 D 1 ATOM 1541 C CB . THR D 2 11 ? 32.411 0.545 4.009 1.00 19.92 0 D 1 ATOM 1542 C CG2 . THR D 2 11 ? 32.809 -0.914 4.333 1.00 18.13 0 D 1 ATOM 1543 O OG1 . THR D 2 11 ? 31.900 1.157 5.194 1.00 18.56 0 D 1 ATOM 1544 N N . ARG D 2 12 ? 35.244 0.018 2.284 1.00 18.77 0 D 1 ATOM 1545 C CA . ARG D 2 12 ? 35.869 -0.730 1.202 1.00 18.70 0 D 1 ATOM 1546 C C . ARG D 2 12 ? 35.222 -2.128 1.186 1.00 21.86 0 D 1 ATOM 1547 O O . ARG D 2 12 ? 35.095 -2.766 2.244 1.00 22.92 0 D 1 ATOM 1548 C CB . ARG D 2 12 ? 37.381 -0.861 1.479 1.00 21.73 0 D 1 ATOM 1549 C CG . ARG D 2 12 ? 38.119 0.486 1.573 1.00 32.78 0 D 1 ATOM 1550 C CD . ARG D 2 12 ? 39.359 0.421 2.454 1.00 50.92 0 D 1 ATOM 1551 N NE . ARG D 2 12 ? 39.143 -0.411 3.643 1.00 62.40 0 D 1 ATOM 1552 C CZ . ARG D 2 12 ? 40.028 -0.585 4.617 1.00 78.74 0 D 1 ATOM 1553 N NH1 . ARG D 2 12 ? 41.199 0.039 4.581 1.00 69.89 0 D 1 ATOM 1554 N NH2 . ARG D 2 12 ? 39.742 -1.372 5.646 1.00 63.99 0 D 1 ATOM 1555 N N . LEU D 2 13 ? 34.801 -2.590 0.006 1.00 17.74 0 D 1 ATOM 1556 C CA . LEU D 2 13 ? 34.167 -3.902 -0.218 1.00 16.59 0 D 1 ATOM 1557 C C . LEU D 2 13 ? 34.990 -4.780 -1.123 1.00 15.64 0 D 1 ATOM 1558 O O . LEU D 2 13 ? 34.691 -5.988 -1.182 1.00 16.70 0 D 1 ATOM 1559 C CB . LEU D 2 13 ? 32.764 -3.757 -0.891 1.00 17.18 0 D 1 ATOM 1560 C CG . LEU D 2 13 ? 31.541 -3.249 -0.078 1.00 22.98 0 D 1 ATOM 1561 C CD1 . LEU D 2 13 ? 31.359 -3.960 1.235 1.00 23.63 0 D 1 ATOM 1562 C CD2 . LEU D 2 13 ? 31.518 -1.751 0.055 1.00 23.47 0 D 1 ATOM 1563 O OXT . LEU D 2 13 ? 35.855 -4.243 -1.848 1.00 16.77 0 D 1 HETATM 1564 C C1 . GOL E 3 1 ? 15.466 -25.894 15.333 1.00 37.25 0 A 1 HETATM 1565 O O1 . GOL E 3 1 ? 16.758 -25.259 15.128 1.00 38.59 0 A 1 HETATM 1566 C C2 . GOL E 3 1 ? 15.509 -26.958 16.437 1.00 36.37 0 A 1 HETATM 1567 O O2 . GOL E 3 1 ? 16.653 -26.735 17.210 1.00 37.74 0 A 1 HETATM 1568 C C3 . GOL E 3 1 ? 14.443 -26.614 17.426 1.00 35.33 0 A 1 HETATM 1569 O O3 . GOL E 3 1 ? 14.293 -27.667 18.332 1.00 30.41 0 A 1 HETATM 1570 C C1 . GOL F 3 605 ? 25.638 -26.999 25.963 1.00 27.91 0 A 1 HETATM 1571 O O1 . GOL F 3 605 ? 25.279 -26.222 24.826 1.00 22.00 0 A 1 HETATM 1572 C C2 . GOL F 3 605 ? 24.487 -27.773 26.552 1.00 28.81 0 A 1 HETATM 1573 O O2 . GOL F 3 605 ? 23.815 -28.524 25.560 1.00 29.42 0 A 1 HETATM 1574 C C3 . GOL F 3 605 ? 24.941 -28.817 27.551 1.00 28.51 0 A 1 HETATM 1575 O O3 . GOL F 3 605 ? 25.982 -28.304 28.344 1.00 28.03 0 A 1 If you find results from this site helpful for your research, please cite one of our papers:
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