Browse entries in the PDBbind-CN Database
HEADER 5TPX_COMPLEX COMPND 5TPX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 GLY HIS LYS GLU VAL GLN LEU LYS ASP GLN ILE LEU GLY SEQRES 2 A 106 VAL LEU ASP TYR LEU GLU LYS GLN GLN SER ALA TRP PRO SEQRES 3 A 106 PHE LEU LYS PRO VAL SER LEU SER GLU ALA PRO ASP TYR SEQRES 4 A 106 TYR ASP ILE ILE LYS GLU PRO THR ASP ILE LEU THR MET SEQRES 5 A 106 ARG ARG LYS ALA ARG HIS GLY ASP TYR LYS THR LYS GLU SEQRES 6 A 106 ASP PHE GLY ILE GLU LEU LYS ARG MET PHE ASP ASN CYS SEQRES 7 A 106 ARG LEU TYR ASN ALA PRO THR THR ILE TYR PHE LYS TYR SEQRES 8 A 106 ALA ASN GLU LEU GLN THR LEU ILE TRP PRO LYS TYR GLU SEQRES 9 A 106 ALA ILE HET UNN A 173 52 ATOM 1 N GLY A1355 31.692 93.277 79.910 1.00 86.21 N ATOM 2 CA GLY A1355 32.204 91.913 79.956 1.00 85.08 C ATOM 3 C GLY A1355 31.100 90.885 80.093 1.00 87.43 C ATOM 4 O GLY A1355 30.911 90.050 79.205 1.00 83.37 O ATOM 5 HN3 GLY A1355 31.171 93.480 80.787 1.00 0.00 H ATOM 6 HN2 GLY A1355 31.055 93.379 79.095 1.00 0.00 H ATOM 7 HN1 GLY A1355 32.487 93.941 79.816 1.00 0.00 H ATOM 8 N HIS A1356 30.353 90.947 81.212 1.00 86.63 N ATOM 9 CA HIS A1356 29.244 90.020 81.486 1.00 86.32 C ATOM 10 C HIS A1356 28.092 90.214 80.483 1.00 85.82 C ATOM 11 O HIS A1356 27.430 89.241 80.121 1.00 85.03 O ATOM 12 CB HIS A1356 28.728 90.216 82.926 1.00 91.03 C ATOM 13 CG HIS A1356 27.472 89.458 83.230 1.00 95.24 C ATOM 14 ND1 HIS A1356 26.244 90.095 83.296 1.00 97.57 N ATOM 15 CD2 HIS A1356 27.291 88.135 83.450 1.00 97.42 C ATOM 16 CE1 HIS A1356 25.362 89.149 83.578 1.00 97.42 C ATOM 17 NE2 HIS A1356 25.947 87.952 83.677 1.00 97.59 N ATOM 18 H HIS A1356 30.570 91.683 81.914 1.00 0.00 H ATOM 19 N LYS A1357 27.834 91.466 80.062 1.00 79.60 N ATOM 20 CA LYS A1357 26.760 91.751 79.101 1.00 76.47 C ATOM 21 C LYS A1357 27.118 91.179 77.728 1.00 73.10 C ATOM 22 O LYS A1357 26.241 90.676 77.031 1.00 70.25 O ATOM 23 CB LYS A1357 26.491 93.270 79.001 1.00 79.87 C ATOM 24 H LYS A1357 28.410 92.252 80.426 1.00 0.00 H ATOM 25 N GLU A1358 28.417 91.251 77.348 1.00 67.22 N ATOM 26 CA GLU A1358 28.927 90.687 76.088 1.00 63.10 C ATOM 27 C GLU A1358 28.828 89.158 76.095 1.00 62.99 C ATOM 28 O GLU A1358 28.566 88.568 75.060 1.00 58.97 O ATOM 29 CB GLU A1358 30.397 91.112 75.858 1.00 64.53 C ATOM 30 CG GLU A1358 31.084 90.429 74.675 1.00 74.46 C ATOM 31 CD GLU A1358 30.353 90.586 73.355 1.00 88.44 C ATOM 32 OE1 GLU A1358 29.926 91.724 73.052 1.00 70.74 O ATOM 33 OE2 GLU A1358 30.174 89.569 72.643 1.00 77.23 O ATOM 34 H GLU A1358 29.089 91.730 77.981 1.00 0.00 H ATOM 35 N VAL A1359 29.081 88.521 77.249 1.00 61.50 N ATOM 36 CA VAL A1359 29.018 87.060 77.363 1.00 61.25 C ATOM 37 C VAL A1359 27.572 86.583 77.145 1.00 62.29 C ATOM 38 O VAL A1359 27.352 85.603 76.434 1.00 58.67 O ATOM 39 CB VAL A1359 29.587 86.584 78.728 1.00 67.63 C ATOM 40 CG1 VAL A1359 29.135 85.161 79.065 1.00 67.89 C ATOM 41 CG2 VAL A1359 31.108 86.673 78.726 1.00 67.96 C ATOM 42 H VAL A1359 29.330 89.081 78.089 1.00 0.00 H ATOM 43 N GLN A1360 26.599 87.288 77.740 1.00 60.62 N ATOM 44 CA GLN A1360 25.180 86.951 77.598 1.00 59.24 C ATOM 45 C GLN A1360 24.751 87.114 76.148 1.00 57.48 C ATOM 46 O GLN A1360 24.053 86.258 75.613 1.00 55.75 O ATOM 47 CB GLN A1360 24.328 87.857 78.509 1.00 63.02 C ATOM 48 CG GLN A1360 22.846 87.476 78.562 1.00 77.04 C ATOM 49 H GLN A1360 26.862 88.106 78.325 1.00 0.00 H ATOM 50 N LEU A1361 25.190 88.209 75.507 1.00 51.38 N ATOM 51 CA LEU A1361 24.851 88.504 74.119 1.00 48.40 C ATOM 52 C LEU A1361 25.473 87.463 73.185 1.00 48.96 C ATOM 53 O LEU A1361 24.787 86.950 72.308 1.00 45.32 O ATOM 54 CB LEU A1361 25.340 89.917 73.757 1.00 48.44 C ATOM 55 CG LEU A1361 25.163 90.333 72.303 1.00 51.05 C ATOM 56 CD1 LEU A1361 23.684 90.332 71.905 1.00 51.85 C ATOM 57 CD2 LEU A1361 25.770 91.698 72.060 1.00 54.41 C ATOM 58 H LEU A1361 25.799 88.876 76.023 1.00 0.00 H ATOM 59 N LYS A1362 26.776 87.151 73.385 1.00 45.74 N ATOM 60 CA LYS A1362 27.491 86.134 72.599 1.00 44.31 C ATOM 61 C LYS A1362 26.713 84.813 72.608 1.00 47.76 C ATOM 62 O LYS A1362 26.409 84.278 71.553 1.00 45.57 O ATOM 63 CB LYS A1362 28.907 85.917 73.178 1.00 48.36 C ATOM 64 CG LYS A1362 29.638 84.692 72.622 1.00 57.26 C ATOM 65 CD LYS A1362 31.146 84.749 72.876 1.00 65.56 C ATOM 66 CE LYS A1362 31.530 84.469 74.315 1.00 75.40 C ATOM 67 H LYS A1362 27.296 87.655 74.131 1.00 0.00 H ATOM 68 N ASP A1363 26.342 84.331 73.800 1.00 45.85 N ATOM 69 CA ASP A1363 25.596 83.081 73.942 1.00 45.67 C ATOM 70 C ASP A1363 24.249 83.150 73.242 1.00 46.74 C ATOM 71 O ASP A1363 23.837 82.164 72.637 1.00 45.40 O ATOM 72 CB ASP A1363 25.389 82.728 75.429 1.00 49.56 C ATOM 73 CG ASP A1363 26.673 82.415 76.183 1.00 57.73 C ATOM 74 OD1 ASP A1363 27.731 82.255 75.523 1.00 54.75 O ATOM 75 OD2 ASP A1363 26.621 82.331 77.425 1.00 68.98 O ATOM 76 H ASP A1363 26.593 84.865 74.657 1.00 0.00 H ATOM 77 N GLN A1364 23.551 84.291 73.323 1.00 42.26 N ATOM 78 CA GLN A1364 22.261 84.420 72.652 1.00 41.99 C ATOM 79 C GLN A1364 22.436 84.381 71.114 1.00 43.54 C ATOM 80 O GLN A1364 21.670 83.721 70.429 1.00 40.00 O ATOM 81 CB GLN A1364 21.545 85.714 73.081 1.00 44.58 C ATOM 82 CG GLN A1364 20.863 85.592 74.449 1.00 57.87 C ATOM 83 CD GLN A1364 20.313 86.912 74.968 1.00 78.82 C ATOM 84 OE1 GLN A1364 20.956 87.965 74.888 1.00 72.80 O ATOM 85 NE2 GLN A1364 19.157 86.865 75.605 1.00 77.61 N ATOM 86 HE22 GLN A1364 18.631 85.970 75.662 1.00 0.00 H ATOM 87 HE21 GLN A1364 18.773 87.723 76.050 1.00 0.00 H ATOM 88 H GLN A1364 23.931 85.091 73.868 1.00 0.00 H ATOM 89 N ILE A1365 23.473 85.043 70.595 1.00 40.83 N ATOM 90 CA ILE A1365 23.738 85.070 69.162 1.00 38.05 C ATOM 91 C ILE A1365 24.070 83.663 68.667 1.00 40.79 C ATOM 92 O ILE A1365 23.592 83.257 67.612 1.00 38.67 O ATOM 93 CB ILE A1365 24.878 86.052 68.832 1.00 39.80 C ATOM 94 CG1 ILE A1365 24.419 87.506 69.087 1.00 39.57 C ATOM 95 CG2 ILE A1365 25.329 85.870 67.343 1.00 39.87 C ATOM 96 CD1 ILE A1365 25.534 88.465 69.199 1.00 39.79 C ATOM 97 H ILE A1365 24.113 85.556 71.234 1.00 0.00 H ATOM 98 N LEU A1366 24.886 82.928 69.420 1.00 38.16 N ATOM 99 CA LEU A1366 25.254 81.573 69.035 1.00 38.68 C ATOM 100 C LEU A1366 24.032 80.662 69.066 1.00 44.85 C ATOM 101 O LEU A1366 23.911 79.780 68.222 1.00 43.24 O ATOM 102 CB LEU A1366 26.343 81.027 69.949 1.00 39.46 C ATOM 103 CG LEU A1366 27.703 81.697 69.841 1.00 42.73 C ATOM 104 CD1 LEU A1366 28.630 81.184 70.932 1.00 44.35 C ATOM 105 CD2 LEU A1366 28.327 81.469 68.465 1.00 42.57 C ATOM 106 H LEU A1366 25.268 83.330 70.300 1.00 0.00 H ATOM 107 N GLY A1367 23.128 80.905 70.014 1.00 44.67 N ATOM 108 CA GLY A1367 21.865 80.173 70.116 1.00 43.46 C ATOM 109 C GLY A1367 20.986 80.387 68.901 1.00 43.61 C ATOM 110 O GLY A1367 20.339 79.456 68.427 1.00 44.20 O ATOM 111 H GLY A1367 23.329 81.648 70.713 1.00 0.00 H ATOM 112 N VAL A1368 20.978 81.600 68.370 1.00 39.06 N ATOM 113 CA VAL A1368 20.242 81.907 67.144 1.00 37.63 C ATOM 114 C VAL A1368 20.964 81.215 65.936 1.00 38.33 C ATOM 115 O VAL A1368 20.312 80.656 65.068 1.00 35.22 O ATOM 116 CB VAL A1368 20.115 83.437 66.940 1.00 41.35 C ATOM 117 CG1 VAL A1368 19.561 83.768 65.558 1.00 39.36 C ATOM 118 CG2 VAL A1368 19.238 84.056 68.029 1.00 43.35 C ATOM 119 H VAL A1368 21.512 82.359 68.840 1.00 0.00 H ATOM 120 N LEU A1369 22.286 81.235 65.917 1.00 35.92 N ATOM 121 CA LEU A1369 23.028 80.617 64.816 1.00 35.30 C ATOM 122 C LEU A1369 22.896 79.102 64.883 1.00 39.16 C ATOM 123 O LEU A1369 22.819 78.469 63.840 1.00 38.61 O ATOM 124 CB LEU A1369 24.507 81.054 64.818 1.00 34.90 C ATOM 125 CG LEU A1369 24.732 82.547 64.445 1.00 39.42 C ATOM 126 CD1 LEU A1369 26.214 82.950 64.615 1.00 39.57 C ATOM 127 CD2 LEU A1369 24.269 82.845 62.996 1.00 39.89 C ATOM 128 H LEU A1369 22.805 81.695 66.692 1.00 0.00 H ATOM 129 N ASP A1370 22.747 78.528 66.105 1.00 37.97 N ATOM 130 CA ASP A1370 22.460 77.098 66.278 1.00 37.74 C ATOM 131 C ASP A1370 21.126 76.748 65.634 1.00 42.66 C ATOM 132 O ASP A1370 21.013 75.722 64.970 1.00 43.18 O ATOM 133 CB ASP A1370 22.393 76.722 67.772 1.00 40.56 C ATOM 134 CG ASP A1370 23.712 76.771 68.490 1.00 48.89 C ATOM 135 OD1 ASP A1370 24.773 76.891 67.798 1.00 44.57 O ATOM 136 OD2 ASP A1370 23.706 76.716 69.748 1.00 53.08 O ATOM 137 H ASP A1370 22.840 79.125 66.952 1.00 0.00 H ATOM 138 N TYR A1371 20.080 77.535 65.916 1.00 40.24 N ATOM 139 CA TYR A1371 18.761 77.266 65.340 1.00 39.38 C ATOM 140 C TYR A1371 18.814 77.439 63.797 1.00 41.40 C ATOM 141 O TYR A1371 18.217 76.669 63.059 1.00 39.55 O ATOM 142 CB TYR A1371 17.714 78.202 65.948 1.00 42.08 C ATOM 143 CG TYR A1371 16.316 77.920 65.455 1.00 45.94 C ATOM 144 CD1 TYR A1371 15.546 76.912 66.022 1.00 49.02 C ATOM 145 CD2 TYR A1371 15.773 78.635 64.396 1.00 46.50 C ATOM 146 CE1 TYR A1371 14.260 76.634 65.555 1.00 49.94 C ATOM 147 CE2 TYR A1371 14.476 78.396 63.949 1.00 48.36 C ATOM 148 CZ TYR A1371 13.732 77.377 64.512 1.00 55.40 C ATOM 149 OH TYR A1371 12.459 77.120 64.058 1.00 62.87 O ATOM 150 HH TYR A1371 12.074 76.364 64.568 1.00 0.00 H ATOM 151 H TYR A1371 20.206 78.348 66.552 1.00 0.00 H ATOM 152 N LEU A1372 19.527 78.443 63.338 1.00 37.83 N ATOM 153 CA LEU A1372 19.662 78.728 61.916 1.00 37.15 C ATOM 154 C LEU A1372 20.296 77.531 61.162 1.00 42.22 C ATOM 155 O LEU A1372 19.744 77.061 60.176 1.00 40.34 O ATOM 156 CB LEU A1372 20.528 79.993 61.760 1.00 36.93 C ATOM 157 CG LEU A1372 20.703 80.586 60.361 1.00 42.23 C ATOM 158 CD1 LEU A1372 19.448 81.185 59.866 1.00 42.96 C ATOM 159 CD2 LEU A1372 21.738 81.690 60.386 1.00 46.24 C ATOM 160 H LEU A1372 20.015 79.060 64.018 1.00 0.00 H ATOM 161 N GLU A1373 21.423 77.027 61.660 1.00 40.73 N ATOM 162 CA GLU A1373 22.177 75.958 60.983 1.00 40.88 C ATOM 163 C GLU A1373 21.432 74.601 60.922 1.00 47.50 C ATOM 164 O GLU A1373 21.736 73.802 60.031 1.00 47.05 O ATOM 165 CB GLU A1373 23.538 75.766 61.655 1.00 41.99 C ATOM 166 CG GLU A1373 23.470 75.138 63.034 1.00 49.33 C ATOM 167 CD GLU A1373 24.804 75.003 63.737 1.00 53.23 C ATOM 168 OE1 GLU A1373 25.743 75.734 63.367 1.00 53.65 O ATOM 169 OE2 GLU A1373 24.886 74.226 64.713 1.00 49.34 O ATOM 170 H GLU A1373 21.784 77.402 62.560 1.00 0.00 H ATOM 171 N LYS A1374 20.464 74.336 61.831 1.00 44.66 N ATOM 172 CA LYS A1374 19.770 73.058 61.800 1.00 45.91 C ATOM 173 C LYS A1374 18.525 73.120 60.908 1.00 47.04 C ATOM 174 O LYS A1374 17.860 72.108 60.751 1.00 46.18 O ATOM 175 CB LYS A1374 19.422 72.532 63.218 1.00 51.11 C ATOM 176 CG LYS A1374 18.507 73.388 64.055 1.00 53.11 C ATOM 177 CD LYS A1374 18.516 72.936 65.527 1.00 61.75 C ATOM 178 CE LYS A1374 17.876 71.582 65.730 1.00 75.06 C ATOM 179 NZ LYS A1374 17.556 71.327 67.164 1.00 79.25 N ATOM 180 HZ1 LYS A1374 18.431 71.361 67.725 1.00 0.00 H ATOM 181 HZ2 LYS A1374 16.896 72.054 67.505 1.00 0.00 H ATOM 182 HZ3 LYS A1374 17.119 70.388 67.259 1.00 0.00 H ATOM 183 H LYS A1374 20.217 75.045 62.550 1.00 0.00 H ATOM 184 N GLN A1375 18.272 74.256 60.227 1.00 43.45 N ATOM 185 CA GLN A1375 17.190 74.316 59.238 1.00 42.62 C ATOM 186 C GLN A1375 17.694 73.744 57.907 1.00 46.85 C ATOM 187 O GLN A1375 18.857 73.947 57.542 1.00 44.00 O ATOM 188 CB GLN A1375 16.702 75.758 59.025 1.00 42.49 C ATOM 189 CG GLN A1375 16.279 76.485 60.296 1.00 44.00 C ATOM 190 CD GLN A1375 15.378 75.658 61.166 1.00 50.47 C ATOM 191 OE1 GLN A1375 14.399 75.087 60.700 1.00 41.90 O ATOM 192 NE2 GLN A1375 15.737 75.491 62.426 1.00 45.57 N ATOM 193 HE22 GLN A1375 16.572 75.986 62.799 1.00 0.00 H ATOM 194 HE21 GLN A1375 15.185 74.864 63.045 1.00 0.00 H ATOM 195 H GLN A1375 18.852 75.101 60.405 1.00 0.00 H ATOM 196 N GLN A1376 16.818 73.052 57.176 1.00 47.01 N ATOM 197 CA GLN A1376 17.165 72.460 55.876 1.00 47.49 C ATOM 198 C GLN A1376 17.567 73.543 54.833 1.00 48.01 C ATOM 199 O GLN A1376 18.477 73.319 54.056 1.00 46.97 O ATOM 200 CB GLN A1376 15.978 71.617 55.331 1.00 50.90 C ATOM 201 H GLN A1376 15.852 72.927 57.540 1.00 0.00 H ATOM 202 N SER A1377 16.967 74.727 54.889 1.00 43.44 N ATOM 203 CA SER A1377 17.292 75.800 53.941 1.00 42.28 C ATOM 204 C SER A1377 18.650 76.515 54.275 1.00 44.13 C ATOM 205 O SER A1377 19.075 77.385 53.524 1.00 43.26 O ATOM 206 CB SER A1377 16.163 76.826 53.921 1.00 44.21 C ATOM 207 OG SER A1377 15.866 77.267 55.233 1.00 47.49 O ATOM 208 HG SER A1377 15.587 76.494 55.785 1.00 0.00 H ATOM 209 H SER A1377 16.250 74.898 55.622 1.00 0.00 H ATOM 210 N ALA A1378 19.328 76.132 55.366 1.00 41.72 N ATOM 211 CA ALA A1378 20.564 76.800 55.779 1.00 40.12 C ATOM 212 C ALA A1378 21.801 76.254 55.109 1.00 39.02 C ATOM 213 O ALA A1378 22.808 76.935 55.112 1.00 37.26 O ATOM 214 CB ALA A1378 20.733 76.678 57.276 1.00 41.55 C ATOM 215 H ALA A1378 18.967 75.339 55.934 1.00 0.00 H ATOM 216 N TRP A1379 21.763 75.038 54.550 1.00 36.28 N ATOM 217 CA TRP A1379 22.986 74.358 54.101 1.00 36.15 C ATOM 218 C TRP A1379 23.839 75.207 53.088 1.00 37.09 C ATOM 219 O TRP A1379 25.070 75.173 53.193 1.00 33.64 O ATOM 220 CB TRP A1379 22.699 72.937 53.519 1.00 35.80 C ATOM 221 CG TRP A1379 22.044 72.885 52.165 1.00 36.76 C ATOM 222 CD1 TRP A1379 20.737 72.619 51.902 1.00 40.58 C ATOM 223 CD2 TRP A1379 22.690 73.005 50.893 1.00 36.34 C ATOM 224 NE1 TRP A1379 20.508 72.671 50.548 1.00 40.68 N ATOM 225 CE2 TRP A1379 21.692 72.889 49.904 1.00 41.37 C ATOM 226 CE3 TRP A1379 24.007 73.261 50.491 1.00 37.61 C ATOM 227 CZ2 TRP A1379 21.964 73.044 48.544 1.00 41.17 C ATOM 228 CZ3 TRP A1379 24.287 73.325 49.134 1.00 39.96 C ATOM 229 CH2 TRP A1379 23.262 73.291 48.185 1.00 41.16 C ATOM 230 HE1 TRP A1379 19.582 72.562 50.088 1.00 0.00 H ATOM 231 H TRP A1379 20.846 74.563 54.431 1.00 0.00 H ATOM 232 N PRO A1380 23.266 75.964 52.121 1.00 35.08 N ATOM 233 CA PRO A1380 24.145 76.698 51.192 1.00 35.71 C ATOM 234 C PRO A1380 24.882 77.875 51.863 1.00 38.27 C ATOM 235 O PRO A1380 25.887 78.341 51.347 1.00 35.51 O ATOM 236 CB PRO A1380 23.187 77.203 50.093 1.00 37.86 C ATOM 237 CG PRO A1380 21.850 76.678 50.422 1.00 41.33 C ATOM 238 CD PRO A1380 21.844 76.229 51.837 1.00 36.16 C ATOM 239 N PHE A1381 24.394 78.323 53.026 1.00 36.46 N ATOM 240 CA PHE A1381 24.952 79.481 53.727 1.00 36.10 C ATOM 241 C PHE A1381 26.038 79.106 54.731 1.00 37.63 C ATOM 242 O PHE A1381 26.523 79.975 55.452 1.00 34.77 O ATOM 243 CB PHE A1381 23.822 80.208 54.447 1.00 37.23 C ATOM 244 CG PHE A1381 22.707 80.637 53.511 1.00 37.88 C ATOM 245 CD1 PHE A1381 22.781 81.838 52.820 1.00 38.86 C ATOM 246 CD2 PHE A1381 21.566 79.863 53.362 1.00 39.38 C ATOM 247 CE1 PHE A1381 21.731 82.257 51.994 1.00 38.66 C ATOM 248 CE2 PHE A1381 20.528 80.268 52.514 1.00 42.28 C ATOM 249 CZ PHE A1381 20.632 81.443 51.814 1.00 40.44 C ATOM 250 H PHE A1381 23.584 77.827 53.450 1.00 0.00 H ATOM 251 N LEU A1382 26.428 77.837 54.773 1.00 37.27 N ATOM 252 CA LEU A1382 27.401 77.347 55.744 1.00 38.11 C ATOM 253 C LEU A1382 28.819 77.608 55.331 1.00 44.47 C ATOM 254 O LEU A1382 29.711 77.425 56.158 1.00 44.48 O ATOM 255 CB LEU A1382 27.215 75.840 55.980 1.00 37.61 C ATOM 256 CG LEU A1382 25.934 75.482 56.667 1.00 40.82 C ATOM 257 CD1 LEU A1382 25.745 73.973 56.702 1.00 42.33 C ATOM 258 CD2 LEU A1382 25.893 76.066 58.068 1.00 42.18 C ATOM 259 H LEU A1382 26.024 77.167 54.088 1.00 0.00 H ATOM 260 N LYS A1383 29.068 78.012 54.069 1.00 41.67 N ATOM 261 CA LYS A1383 30.414 78.402 53.694 1.00 42.42 C ATOM 262 C LYS A1383 30.356 79.521 52.609 1.00 43.87 C ATOM 263 O LYS A1383 29.267 79.838 52.106 1.00 40.37 O ATOM 264 CB LYS A1383 31.237 77.188 53.276 1.00 47.65 C ATOM 265 CG LYS A1383 31.086 76.737 51.867 1.00 58.49 C ATOM 266 CD LYS A1383 31.745 75.339 51.689 1.00 54.26 C ATOM 267 CE LYS A1383 33.263 75.404 51.768 1.00 55.33 C ATOM 268 NZ LYS A1383 33.925 74.132 51.336 1.00 70.37 N ATOM 269 HZ1 LYS A1383 33.609 73.353 51.948 1.00 0.00 H ATOM 270 HZ2 LYS A1383 33.667 73.926 50.350 1.00 0.00 H ATOM 271 HZ3 LYS A1383 34.957 74.237 51.411 1.00 0.00 H ATOM 272 H LYS A1383 28.300 78.044 53.369 1.00 0.00 H ATOM 273 N PRO A1384 31.467 80.289 52.444 1.00 36.75 N ATOM 274 CA PRO A1384 31.422 81.464 51.552 1.00 36.06 C ATOM 275 C PRO A1384 31.391 81.070 50.093 1.00 38.32 C ATOM 276 O PRO A1384 31.923 80.022 49.728 1.00 35.55 O ATOM 277 CB PRO A1384 32.731 82.225 51.885 1.00 37.41 C ATOM 278 CG PRO A1384 33.625 81.245 52.438 1.00 41.88 C ATOM 279 CD PRO A1384 32.798 80.126 53.056 1.00 37.45 C ATOM 280 N VAL A1385 30.769 81.905 49.254 1.00 33.38 N ATOM 281 CA VAL A1385 30.716 81.645 47.812 1.00 34.42 C ATOM 282 C VAL A1385 32.154 81.745 47.207 1.00 39.58 C ATOM 283 O VAL A1385 32.943 82.587 47.622 1.00 38.63 O ATOM 284 CB VAL A1385 29.730 82.599 47.109 1.00 37.62 C ATOM 285 CG1 VAL A1385 29.858 82.498 45.585 1.00 38.19 C ATOM 286 CG2 VAL A1385 28.292 82.322 47.558 1.00 37.31 C ATOM 287 H VAL A1385 30.312 82.759 49.633 1.00 0.00 H ATOM 288 N SER A1386 32.475 80.888 46.245 1.00 35.69 N ATOM 289 CA SER A1386 33.789 80.915 45.597 1.00 35.37 C ATOM 290 C SER A1386 33.664 81.525 44.216 1.00 40.26 C ATOM 291 O SER A1386 32.574 81.536 43.642 1.00 39.78 O ATOM 292 CB SER A1386 34.355 79.499 45.496 1.00 38.39 C ATOM 293 OG SER A1386 33.611 78.713 44.585 1.00 44.57 O ATOM 294 HG SER A1386 34.000 77.804 44.541 1.00 0.00 H ATOM 295 H SER A1386 31.776 80.179 45.944 1.00 0.00 H ATOM 296 N LEU A1387 34.770 82.023 43.674 1.00 37.77 N ATOM 297 CA LEU A1387 34.780 82.592 42.331 1.00 39.58 C ATOM 298 C LEU A1387 34.589 81.527 41.249 1.00 45.30 C ATOM 299 O LEU A1387 34.086 81.856 40.175 1.00 46.27 O ATOM 300 CB LEU A1387 36.086 83.346 42.065 1.00 40.66 C ATOM 301 CG LEU A1387 36.252 84.668 42.822 1.00 43.55 C ATOM 302 CD1 LEU A1387 37.694 85.131 42.787 1.00 43.56 C ATOM 303 CD2 LEU A1387 35.355 85.752 42.239 1.00 44.75 C ATOM 304 H LEU A1387 35.653 82.007 44.223 1.00 0.00 H ATOM 305 N SER A1388 34.963 80.257 41.510 1.00 41.44 N ATOM 306 CA SER A1388 34.799 79.221 40.479 1.00 42.15 C ATOM 307 C SER A1388 33.314 78.997 40.179 1.00 44.30 C ATOM 308 O SER A1388 32.939 78.898 39.018 1.00 45.05 O ATOM 309 CB SER A1388 35.460 77.902 40.898 1.00 46.30 C ATOM 310 OG SER A1388 34.995 77.470 42.168 1.00 61.36 O ATOM 311 HG SER A1388 35.207 78.158 42.847 1.00 0.00 H ATOM 312 H SER A1388 35.366 80.012 42.437 1.00 0.00 H ATOM 313 N GLU A1389 32.473 78.951 41.221 1.00 39.35 N ATOM 314 CA GLU A1389 31.047 78.693 41.049 1.00 38.47 C ATOM 315 C GLU A1389 30.260 79.961 40.688 1.00 44.59 C ATOM 316 O GLU A1389 29.154 79.852 40.143 1.00 43.71 O ATOM 317 CB GLU A1389 30.471 78.050 42.321 1.00 39.30 C ATOM 318 CG GLU A1389 30.259 78.997 43.498 1.00 40.00 C ATOM 319 CD GLU A1389 29.932 78.305 44.803 1.00 49.85 C ATOM 320 OE1 GLU A1389 29.462 77.147 44.760 1.00 47.45 O ATOM 321 OE2 GLU A1389 30.052 78.956 45.864 1.00 39.91 O ATOM 322 H GLU A1389 32.847 79.103 42.179 1.00 0.00 H ATOM 323 N ALA A1390 30.802 81.159 41.003 1.00 43.14 N ATOM 324 CA ALA A1390 30.112 82.429 40.730 1.00 43.41 C ATOM 325 C ALA A1390 31.150 83.524 40.468 1.00 48.47 C ATOM 326 O ALA A1390 31.496 84.286 41.379 1.00 46.68 O ATOM 327 CB ALA A1390 29.240 82.789 41.911 1.00 43.06 C ATOM 328 H ALA A1390 31.739 81.183 41.454 1.00 0.00 H ATOM 329 N PRO A1391 31.715 83.562 39.223 1.00 47.04 N ATOM 330 CA PRO A1391 32.887 84.439 38.963 1.00 46.63 C ATOM 331 C PRO A1391 32.679 85.936 39.192 1.00 47.49 C ATOM 332 O PRO A1391 33.648 86.622 39.490 1.00 48.02 O ATOM 333 CB PRO A1391 33.209 84.173 37.481 1.00 50.07 C ATOM 334 CG PRO A1391 32.708 82.790 37.227 1.00 54.42 C ATOM 335 CD PRO A1391 31.490 82.617 38.098 1.00 48.83 C ATOM 336 N ASP A1392 31.447 86.453 39.048 1.00 42.90 N ATOM 337 CA ASP A1392 31.202 87.886 39.261 1.00 42.21 C ATOM 338 C ASP A1392 30.498 88.135 40.592 1.00 43.74 C ATOM 339 O ASP A1392 30.033 89.244 40.823 1.00 43.25 O ATOM 340 CB ASP A1392 30.387 88.483 38.093 1.00 45.33 C ATOM 341 CG ASP A1392 28.927 88.068 38.040 1.00 54.72 C ATOM 342 OD1 ASP A1392 28.613 86.941 38.483 1.00 52.64 O ATOM 343 OD2 ASP A1392 28.101 88.864 37.523 1.00 61.45 O ATOM 344 H ASP A1392 30.657 85.831 38.782 1.00 0.00 H ATOM 345 N TYR A1393 30.476 87.136 41.506 1.00 39.51 N ATOM 346 CA TYR A1393 29.805 87.304 42.810 1.00 37.66 C ATOM 347 C TYR A1393 30.362 88.502 43.588 1.00 39.43 C ATOM 348 O TYR A1393 29.590 89.333 44.057 1.00 36.84 O ATOM 349 CB TYR A1393 29.935 86.035 43.647 1.00 37.26 C ATOM 350 CG TYR A1393 29.215 86.096 44.968 1.00 36.18 C ATOM 351 CD1 TYR A1393 27.875 85.740 45.070 1.00 38.24 C ATOM 352 CD2 TYR A1393 29.898 86.379 46.140 1.00 35.12 C ATOM 353 CE1 TYR A1393 27.235 85.682 46.305 1.00 36.26 C ATOM 354 CE2 TYR A1393 29.245 86.421 47.367 1.00 33.84 C ATOM 355 CZ TYR A1393 27.911 86.067 47.446 1.00 37.34 C ATOM 356 OH TYR A1393 27.280 86.071 48.663 1.00 38.15 O ATOM 357 HH TYR A1393 26.336 85.795 48.545 1.00 0.00 H ATOM 358 H TYR A1393 30.941 86.232 41.285 1.00 0.00 H ATOM 359 N TYR A1394 31.684 88.630 43.648 1.00 36.81 N ATOM 360 CA TYR A1394 32.316 89.676 44.429 1.00 37.24 C ATOM 361 C TYR A1394 32.416 91.027 43.660 1.00 43.08 C ATOM 362 O TYR A1394 32.762 92.027 44.269 1.00 43.89 O ATOM 363 CB TYR A1394 33.671 89.205 44.923 1.00 38.18 C ATOM 364 CG TYR A1394 33.513 88.084 45.931 1.00 39.98 C ATOM 365 CD1 TYR A1394 32.874 88.302 47.150 1.00 41.64 C ATOM 366 CD2 TYR A1394 33.874 86.777 45.613 1.00 39.85 C ATOM 367 CE1 TYR A1394 32.677 87.261 48.059 1.00 41.51 C ATOM 368 CE2 TYR A1394 33.685 85.730 46.519 1.00 38.92 C ATOM 369 CZ TYR A1394 33.100 85.981 47.748 1.00 44.74 C ATOM 370 OH TYR A1394 32.877 84.971 48.665 1.00 41.23 O ATOM 371 HH TYR A1394 32.279 84.291 48.266 1.00 0.00 H ATOM 372 H TYR A1394 32.281 87.962 43.120 1.00 0.00 H ATOM 373 N ASP A1395 31.987 91.083 42.389 1.00 39.34 N ATOM 374 CA ASP A1395 31.784 92.367 41.706 1.00 40.75 C ATOM 375 C ASP A1395 30.449 92.980 42.178 1.00 44.23 C ATOM 376 O ASP A1395 30.301 94.184 42.175 1.00 45.86 O ATOM 377 CB ASP A1395 31.721 92.190 40.181 1.00 43.56 C ATOM 378 CG ASP A1395 33.016 91.729 39.577 1.00 53.97 C ATOM 379 OD1 ASP A1395 34.073 92.033 40.152 1.00 55.81 O ATOM 380 OD2 ASP A1395 32.974 91.090 38.511 1.00 58.41 O ATOM 381 H ASP A1395 31.794 90.198 41.877 1.00 0.00 H ATOM 382 N ILE A1396 29.493 92.131 42.568 1.00 40.04 N ATOM 383 CA ILE A1396 28.145 92.530 42.981 1.00 40.26 C ATOM 384 C ILE A1396 28.038 92.642 44.510 1.00 41.62 C ATOM 385 O ILE A1396 27.375 93.541 45.008 1.00 40.13 O ATOM 386 CB ILE A1396 27.138 91.480 42.436 1.00 44.51 C ATOM 387 CG1 ILE A1396 27.219 91.384 40.867 1.00 46.69 C ATOM 388 CG2 ILE A1396 25.704 91.803 42.882 1.00 47.43 C ATOM 389 CD1 ILE A1396 26.913 92.693 40.115 1.00 62.90 C ATOM 390 H ILE A1396 29.722 91.117 42.579 1.00 0.00 H ATOM 391 N ILE A1397 28.606 91.675 45.237 1.00 37.57 N ATOM 392 CA ILE A1397 28.530 91.615 46.703 1.00 35.62 C ATOM 393 C ILE A1397 29.814 92.175 47.307 1.00 38.69 C ATOM 394 O ILE A1397 30.852 91.521 47.286 1.00 38.87 O ATOM 395 CB ILE A1397 28.269 90.149 47.146 1.00 36.47 C ATOM 396 CG1 ILE A1397 27.001 89.579 46.431 1.00 36.62 C ATOM 397 CG2 ILE A1397 28.121 90.046 48.680 1.00 35.64 C ATOM 398 CD1 ILE A1397 25.765 90.408 46.573 1.00 37.38 C ATOM 399 H ILE A1397 29.129 90.926 44.739 1.00 0.00 H ATOM 400 N LYS A1398 29.722 93.350 47.889 1.00 35.91 N ATOM 401 CA LYS A1398 30.872 94.059 48.449 1.00 36.37 C ATOM 402 C LYS A1398 31.162 93.687 49.897 1.00 38.54 C ATOM 403 O LYS A1398 32.301 93.873 50.336 1.00 36.59 O ATOM 404 CB LYS A1398 30.649 95.572 48.364 1.00 40.94 C ATOM 405 CG LYS A1398 30.341 96.090 46.950 1.00 54.46 C ATOM 406 CD LYS A1398 31.398 95.704 45.904 1.00 60.88 C ATOM 407 CE LYS A1398 31.188 96.443 44.596 1.00 73.20 C ATOM 408 H LYS A1398 28.785 93.797 47.954 1.00 0.00 H ATOM 409 N GLU A1399 30.140 93.247 50.673 1.00 33.65 N ATOM 410 CA GLU A1399 30.328 92.870 52.080 1.00 32.68 C ATOM 411 C GLU A1399 29.778 91.497 52.288 1.00 40.11 C ATOM 412 O GLU A1399 28.658 91.315 52.801 1.00 39.39 O ATOM 413 CB GLU A1399 29.638 93.867 52.986 1.00 35.21 C ATOM 414 CG GLU A1399 30.238 95.261 52.887 1.00 41.81 C ATOM 415 CD GLU A1399 29.485 96.331 53.648 1.00 59.50 C ATOM 416 OE1 GLU A1399 29.848 97.519 53.501 1.00 62.36 O ATOM 417 OE2 GLU A1399 28.491 95.995 54.333 1.00 55.87 O ATOM 418 H GLU A1399 29.190 93.174 50.257 1.00 0.00 H ATOM 419 N PRO A1400 30.488 90.490 51.778 1.00 37.20 N ATOM 420 CA PRO A1400 29.966 89.129 51.872 1.00 36.24 C ATOM 421 C PRO A1400 29.984 88.590 53.287 1.00 39.17 C ATOM 422 O PRO A1400 30.797 89.017 54.101 1.00 36.55 O ATOM 423 CB PRO A1400 30.917 88.341 50.992 1.00 38.26 C ATOM 424 CG PRO A1400 32.224 89.097 51.110 1.00 42.50 C ATOM 425 CD PRO A1400 31.800 90.524 51.105 1.00 38.25 C ATOM 426 N THR A1401 29.108 87.616 53.569 1.00 36.73 N ATOM 427 CA THR A1401 29.114 86.936 54.852 1.00 35.91 C ATOM 428 C THR A1401 28.425 85.581 54.716 1.00 40.31 C ATOM 429 O THR A1401 27.833 85.275 53.681 1.00 39.82 O ATOM 430 CB THR A1401 28.473 87.803 55.960 1.00 41.25 C ATOM 431 OG1 THR A1401 28.581 87.100 57.204 1.00 41.36 O ATOM 432 CG2 THR A1401 27.036 88.128 55.686 1.00 37.87 C ATOM 433 HG1 THR A1401 28.174 87.643 57.925 1.00 0.00 H ATOM 434 H THR A1401 28.407 87.340 52.852 1.00 0.00 H ATOM 435 N ASP A1402 28.528 84.769 55.768 1.00 35.24 N ATOM 436 CA ASP A1402 27.958 83.453 55.797 1.00 35.30 C ATOM 437 C ASP A1402 27.839 83.038 57.253 1.00 38.25 C ATOM 438 O ASP A1402 28.303 83.776 58.124 1.00 37.78 O ATOM 439 CB ASP A1402 28.813 82.493 54.978 1.00 36.92 C ATOM 440 CG ASP A1402 30.226 82.371 55.480 1.00 42.92 C ATOM 441 OD1 ASP A1402 30.434 81.664 56.475 1.00 42.64 O ATOM 442 OD2 ASP A1402 31.098 83.097 54.965 1.00 56.90 O ATOM 443 H ASP A1402 29.045 85.105 56.606 1.00 0.00 H ATOM 444 N ILE A1403 27.258 81.858 57.526 1.00 33.99 N ATOM 445 CA ILE A1403 26.964 81.430 58.905 1.00 33.96 C ATOM 446 C ILE A1403 28.245 81.202 59.712 1.00 39.03 C ATOM 447 O ILE A1403 28.336 81.683 60.837 1.00 39.44 O ATOM 448 CB ILE A1403 26.066 80.161 58.883 1.00 37.27 C ATOM 449 CG1 ILE A1403 24.649 80.545 58.330 1.00 36.86 C ATOM 450 CG2 ILE A1403 25.970 79.503 60.311 1.00 37.19 C ATOM 451 CD1 ILE A1403 23.610 79.364 58.252 1.00 40.44 C ATOM 452 H ILE A1403 27.008 81.226 56.739 1.00 0.00 H ATOM 453 N LEU A1404 29.235 80.519 59.131 1.00 37.45 N ATOM 454 CA LEU A1404 30.480 80.171 59.813 1.00 40.16 C ATOM 455 C LEU A1404 31.276 81.421 60.146 1.00 42.59 C ATOM 456 O LEU A1404 31.851 81.508 61.229 1.00 44.62 O ATOM 457 CB LEU A1404 31.313 79.211 58.924 1.00 42.23 C ATOM 458 CG LEU A1404 32.705 78.837 59.447 1.00 50.24 C ATOM 459 CD2 LEU A1404 33.504 78.064 58.388 1.00 55.89 C ATOM 460 H LEU A1404 29.114 80.219 58.142 1.00 0.00 H ATOM 461 N THR A1405 31.302 82.393 59.226 1.00 35.62 N ATOM 462 CA THR A1405 31.932 83.692 59.474 1.00 35.50 C ATOM 463 C THR A1405 31.261 84.405 60.646 1.00 37.37 C ATOM 464 O THR A1405 31.945 84.983 61.479 1.00 37.09 O ATOM 465 CB THR A1405 31.855 84.550 58.227 1.00 39.25 C ATOM 466 OG1 THR A1405 32.622 83.916 57.225 1.00 42.34 O ATOM 467 CG2 THR A1405 32.346 85.958 58.454 1.00 41.85 C ATOM 468 HG1 THR A1405 32.252 83.015 57.048 1.00 0.00 H ATOM 469 H THR A1405 30.859 82.220 58.301 1.00 0.00 H ATOM 470 N MET A1406 29.937 84.396 60.691 1.00 32.82 N ATOM 471 CA MET A1406 29.225 85.075 61.769 1.00 32.76 C ATOM 472 C MET A1406 29.439 84.355 63.101 1.00 38.31 C ATOM 473 O MET A1406 29.476 84.997 64.143 1.00 39.46 O ATOM 474 CB MET A1406 27.739 85.171 61.461 1.00 34.03 C ATOM 475 CG MET A1406 27.407 86.238 60.455 1.00 37.24 C ATOM 476 SD MET A1406 25.610 86.470 60.302 1.00 41.27 S ATOM 477 CE MET A1406 25.207 85.152 59.209 1.00 38.25 C ATOM 478 H MET A1406 29.400 83.900 59.951 1.00 0.00 H ATOM 479 N ARG A1407 29.536 83.026 63.074 1.00 36.64 N ATOM 480 CA ARG A1407 29.751 82.251 64.297 1.00 36.96 C ATOM 481 C ARG A1407 31.125 82.526 64.863 1.00 40.64 C ATOM 482 O ARG A1407 31.270 82.676 66.074 1.00 41.53 O ATOM 483 CB ARG A1407 29.582 80.745 64.036 1.00 39.39 C ATOM 484 CG ARG A1407 29.444 80.002 65.322 1.00 53.31 C ATOM 485 CD ARG A1407 29.271 78.508 65.194 1.00 57.18 C ATOM 486 NE ARG A1407 28.916 78.001 66.515 1.00 56.19 N ATOM 487 CZ ARG A1407 27.678 77.891 66.985 1.00 55.07 C ATOM 488 NH1 ARG A1407 26.630 78.102 66.186 1.00 46.71 N ATOM 489 NH2 ARG A1407 27.472 77.498 68.234 1.00 55.08 N ATOM 490 HE ARG A1407 29.693 77.702 67.138 1.00 0.00 H ATOM 491 HH12 ARG A1407 25.664 78.014 66.561 1.00 0.00 H ATOM 492 HH11 ARG A1407 26.779 78.354 65.188 1.00 0.00 H ATOM 493 HH22 ARG A1407 26.502 77.413 68.599 1.00 0.00 H ATOM 494 HH21 ARG A1407 28.280 77.275 68.849 1.00 0.00 H ATOM 495 H ARG A1407 29.457 82.529 62.164 1.00 0.00 H ATOM 496 N ARG A1408 32.138 82.615 63.996 1.00 36.97 N ATOM 497 CA ARG A1408 33.508 82.939 64.433 1.00 37.84 C ATOM 498 C ARG A1408 33.537 84.303 65.077 1.00 40.15 C ATOM 499 O ARG A1408 34.044 84.455 66.204 1.00 39.39 O ATOM 500 CB ARG A1408 34.469 82.891 63.238 1.00 40.16 C ATOM 501 CG ARG A1408 34.750 81.463 62.796 1.00 44.99 C ATOM 502 CD ARG A1408 35.315 81.416 61.408 1.00 58.04 C ATOM 503 NE ARG A1408 35.998 80.147 61.139 1.00 64.55 N ATOM 504 CZ ARG A1408 36.284 79.688 59.922 1.00 80.34 C ATOM 505 NH1 ARG A1408 35.928 80.378 58.840 1.00 77.75 N ATOM 506 NH2 ARG A1408 36.917 78.534 59.776 1.00 66.39 N ATOM 507 HE ARG A1408 36.278 79.565 61.954 1.00 0.00 H ATOM 508 HH12 ARG A1408 36.155 80.013 57.893 1.00 0.00 H ATOM 509 HH11 ARG A1408 35.423 81.282 58.942 1.00 0.00 H ATOM 510 HH22 ARG A1408 37.138 78.179 58.824 1.00 0.00 H ATOM 511 HH21 ARG A1408 37.193 77.983 60.614 1.00 0.00 H ATOM 512 H ARG A1408 31.955 82.451 62.985 1.00 0.00 H ATOM 513 N LYS A1409 32.952 85.300 64.382 1.00 35.73 N ATOM 514 CA LYS A1409 32.855 86.686 64.869 1.00 35.44 C ATOM 515 C LYS A1409 32.172 86.726 66.241 1.00 39.90 C ATOM 516 O LYS A1409 32.676 87.372 67.164 1.00 39.95 O ATOM 517 CB LYS A1409 32.068 87.565 63.860 1.00 35.74 C ATOM 518 CG LYS A1409 32.864 87.961 62.601 1.00 43.45 C ATOM 519 CD LYS A1409 31.991 88.714 61.561 1.00 45.02 C ATOM 520 CE LYS A1409 32.792 89.143 60.345 1.00 47.24 C ATOM 521 NZ LYS A1409 31.968 89.859 59.307 1.00 41.18 N ATOM 522 HZ1 LYS A1409 31.208 89.231 58.975 1.00 0.00 H ATOM 523 HZ2 LYS A1409 31.553 90.716 59.726 1.00 0.00 H ATOM 524 HZ3 LYS A1409 32.576 90.123 58.506 1.00 0.00 H ATOM 525 H LYS A1409 32.547 85.077 63.450 1.00 0.00 H ATOM 526 N ALA A1410 31.056 85.978 66.385 1.00 35.91 N ATOM 527 CA ALA A1410 30.296 85.903 67.644 1.00 36.72 C ATOM 528 C ALA A1410 31.124 85.282 68.735 1.00 40.87 C ATOM 529 O ALA A1410 31.232 85.866 69.802 1.00 42.58 O ATOM 530 CB ALA A1410 29.007 85.094 67.442 1.00 36.49 C ATOM 531 H ALA A1410 30.718 85.430 65.569 1.00 0.00 H ATOM 532 N ARG A1411 31.755 84.112 68.459 1.00 38.65 N ATOM 533 CA ARG A1411 32.638 83.419 69.429 1.00 39.21 C ATOM 534 C ARG A1411 33.735 84.347 69.945 1.00 43.34 C ATOM 535 O ARG A1411 34.054 84.325 71.124 1.00 43.78 O ATOM 536 CB ARG A1411 33.337 82.211 68.778 1.00 42.37 C ATOM 537 CG ARG A1411 32.503 80.965 68.640 1.00 59.31 C ATOM 538 CD ARG A1411 33.384 79.731 68.714 1.00 70.67 C ATOM 539 NE ARG A1411 34.552 79.801 67.821 1.00 65.64 N ATOM 540 CZ ARG A1411 34.563 79.435 66.533 1.00 76.35 C ATOM 541 NH1 ARG A1411 33.455 78.984 65.949 1.00 63.45 N ATOM 542 NH2 ARG A1411 35.680 79.524 65.823 1.00 63.01 N ATOM 543 HE ARG A1411 35.440 80.164 68.223 1.00 0.00 H ATOM 544 HH12 ARG A1411 33.473 78.702 64.948 1.00 0.00 H ATOM 545 HH11 ARG A1411 32.572 78.914 66.494 1.00 0.00 H ATOM 546 HH22 ARG A1411 35.685 79.239 64.823 1.00 0.00 H ATOM 547 HH21 ARG A1411 36.551 79.879 66.266 1.00 0.00 H ATOM 548 H ARG A1411 31.613 83.681 67.523 1.00 0.00 H ATOM 549 N HIS A1412 34.352 85.123 69.042 1.00 41.94 N ATOM 550 CA HIS A1412 35.485 86.002 69.388 1.00 43.50 C ATOM 551 C HIS A1412 35.057 87.300 70.148 1.00 51.59 C ATOM 552 O HIS A1412 35.932 88.045 70.598 1.00 53.88 O ATOM 553 CB HIS A1412 36.256 86.390 68.117 1.00 43.06 C ATOM 554 CG HIS A1412 36.773 85.213 67.342 1.00 45.86 C ATOM 555 ND1 HIS A1412 37.036 85.300 65.979 1.00 45.70 N ATOM 556 CD2 HIS A1412 37.008 83.944 67.749 1.00 48.24 C ATOM 557 CE1 HIS A1412 37.420 84.094 65.603 1.00 45.09 C ATOM 558 NE2 HIS A1412 37.429 83.242 66.636 1.00 46.90 N ATOM 559 H HIS A1412 34.018 85.104 68.057 1.00 0.00 H ATOM 560 N GLY A1413 33.747 87.561 70.266 1.00 47.35 N ATOM 561 CA GLY A1413 33.242 88.745 70.958 1.00 47.87 C ATOM 562 C GLY A1413 33.146 89.984 70.078 1.00 50.67 C ATOM 563 O GLY A1413 33.053 91.098 70.596 1.00 51.38 O ATOM 564 H GLY A1413 33.065 86.896 69.849 1.00 0.00 H ATOM 565 N ASP A1414 33.094 89.804 68.734 1.00 43.88 N ATOM 566 CA ASP A1414 33.105 90.941 67.799 1.00 42.49 C ATOM 567 C ASP A1414 31.809 91.747 67.802 1.00 45.96 C ATOM 568 O ASP A1414 31.837 92.894 67.387 1.00 45.15 O ATOM 569 CB ASP A1414 33.374 90.463 66.369 1.00 41.81 C ATOM 570 CG ASP A1414 34.753 89.844 66.165 1.00 47.08 C ATOM 571 OD1 ASP A1414 35.592 89.924 67.102 1.00 49.37 O ATOM 572 OD2 ASP A1414 35.022 89.363 65.053 1.00 45.59 O ATOM 573 H ASP A1414 33.045 88.837 68.354 1.00 0.00 H ATOM 574 N TYR A1415 30.670 91.148 68.205 1.00 41.17 N ATOM 575 CA TYR A1415 29.397 91.867 68.214 1.00 39.84 C ATOM 576 C TYR A1415 29.167 92.476 69.565 1.00 44.50 C ATOM 577 O TYR A1415 28.920 91.756 70.528 1.00 43.96 O ATOM 578 CB TYR A1415 28.253 90.936 67.860 1.00 40.23 C ATOM 579 CG TYR A1415 28.401 90.307 66.495 1.00 38.43 C ATOM 580 CD1 TYR A1415 28.434 91.090 65.345 1.00 39.04 C ATOM 581 CD2 TYR A1415 28.462 88.928 66.347 1.00 38.77 C ATOM 582 CE1 TYR A1415 28.494 90.511 64.076 1.00 36.41 C ATOM 583 CE2 TYR A1415 28.572 88.339 65.087 1.00 38.55 C ATOM 584 CZ TYR A1415 28.606 89.137 63.954 1.00 41.99 C ATOM 585 OH TYR A1415 28.693 88.560 62.715 1.00 42.38 O ATOM 586 HH TYR A1415 28.706 89.268 62.023 1.00 0.00 H ATOM 587 H TYR A1415 30.698 90.156 68.515 1.00 0.00 H ATOM 588 N LYS A1416 29.274 93.801 69.645 1.00 42.42 N ATOM 589 CA LYS A1416 29.076 94.549 70.887 1.00 44.66 C ATOM 590 C LYS A1416 27.587 94.656 71.209 1.00 48.59 C ATOM 591 O LYS A1416 27.233 94.765 72.369 1.00 51.01 O ATOM 592 CB LYS A1416 29.677 95.963 70.760 1.00 48.44 C ATOM 593 CG LYS A1416 31.212 95.969 70.637 1.00 69.96 C ATOM 594 CD LYS A1416 31.917 96.111 71.990 1.00 81.18 C ATOM 595 H LYS A1416 29.510 94.331 68.782 1.00 0.00 H ATOM 596 N THR A1417 26.717 94.662 70.177 1.00 43.14 N ATOM 597 CA THR A1417 25.279 94.775 70.367 1.00 44.20 C ATOM 598 C THR A1417 24.510 93.817 69.462 1.00 46.46 C ATOM 599 O THR A1417 25.022 93.373 68.437 1.00 44.89 O ATOM 600 CB THR A1417 24.815 96.192 70.058 1.00 54.19 C ATOM 601 OG1 THR A1417 24.912 96.388 68.653 1.00 52.90 O ATOM 602 CG2 THR A1417 25.613 97.248 70.802 1.00 56.42 C ATOM 603 HG1 THR A1417 24.336 95.730 68.189 1.00 0.00 H ATOM 604 H THR A1417 27.089 94.583 69.209 1.00 0.00 H ATOM 605 N LYS A1418 23.252 93.574 69.815 1.00 44.13 N ATOM 606 CA LYS A1418 22.330 92.746 69.042 1.00 43.45 C ATOM 607 C LYS A1418 22.215 93.283 67.604 1.00 46.09 C ATOM 608 O LYS A1418 22.270 92.512 66.669 1.00 42.88 O ATOM 609 CB LYS A1418 20.954 92.750 69.731 1.00 47.48 C ATOM 610 CG LYS A1418 19.802 92.213 68.894 1.00 45.85 C ATOM 611 CD LYS A1418 18.498 92.360 69.634 1.00 53.25 C ATOM 612 CE LYS A1418 17.307 92.177 68.729 1.00 61.82 C ATOM 613 NZ LYS A1418 16.030 92.113 69.502 1.00 67.83 N ATOM 614 HZ1 LYS A1418 16.066 91.311 70.163 1.00 0.00 H ATOM 615 HZ2 LYS A1418 15.904 92.997 70.035 1.00 0.00 H ATOM 616 HZ3 LYS A1418 15.234 91.987 68.845 1.00 0.00 H ATOM 617 H LYS A1418 22.902 94.000 70.697 1.00 0.00 H ATOM 618 N GLU A1419 22.070 94.606 67.447 1.00 44.21 N ATOM 619 CA GLU A1419 21.949 95.242 66.123 1.00 43.06 C ATOM 620 C GLU A1419 23.190 94.984 65.254 1.00 47.34 C ATOM 621 O GLU A1419 23.037 94.797 64.053 1.00 47.82 O ATOM 622 CB GLU A1419 21.718 96.765 66.255 1.00 44.53 C ATOM 623 H GLU A1419 22.042 95.209 68.294 1.00 0.00 H ATOM 624 N ASP A1420 24.420 95.017 65.841 1.00 44.02 N ATOM 625 CA ASP A1420 25.643 94.722 65.073 1.00 41.18 C ATOM 626 C ASP A1420 25.491 93.340 64.408 1.00 44.74 C ATOM 627 O ASP A1420 25.767 93.198 63.220 1.00 44.84 O ATOM 628 CB ASP A1420 26.903 94.727 65.960 1.00 42.67 C ATOM 629 CG ASP A1420 27.312 96.069 66.544 1.00 51.36 C ATOM 630 OD1 ASP A1420 26.721 97.102 66.144 1.00 49.88 O ATOM 631 OD2 ASP A1420 28.245 96.090 67.368 1.00 55.54 O ATOM 632 H ASP A1420 24.497 95.255 66.850 1.00 0.00 H ATOM 633 N PHE A1421 24.992 92.341 65.162 1.00 39.33 N ATOM 634 CA PHE A1421 24.736 91.003 64.609 1.00 36.77 C ATOM 635 C PHE A1421 23.585 91.032 63.587 1.00 40.86 C ATOM 636 O PHE A1421 23.720 90.468 62.492 1.00 39.14 O ATOM 637 CB PHE A1421 24.414 90.002 65.727 1.00 38.28 C ATOM 638 CG PHE A1421 24.004 88.634 65.225 1.00 37.35 C ATOM 639 CD1 PHE A1421 24.824 87.916 64.366 1.00 38.96 C ATOM 640 CD2 PHE A1421 22.764 88.101 65.548 1.00 39.98 C ATOM 641 CE1 PHE A1421 24.443 86.658 63.897 1.00 38.03 C ATOM 642 CE2 PHE A1421 22.377 86.854 65.065 1.00 41.82 C ATOM 643 CZ PHE A1421 23.222 86.141 64.238 1.00 38.81 C ATOM 644 H PHE A1421 24.782 92.522 66.164 1.00 0.00 H ATOM 645 N GLY A1422 22.490 91.715 63.938 1.00 38.07 N ATOM 646 CA GLY A1422 21.314 91.823 63.073 1.00 37.28 C ATOM 647 C GLY A1422 21.616 92.387 61.699 1.00 42.19 C ATOM 648 O GLY A1422 21.062 91.923 60.704 1.00 40.03 O ATOM 649 H GLY A1422 22.473 92.189 64.864 1.00 0.00 H ATOM 650 N ILE A1423 22.487 93.424 61.638 1.00 41.24 N ATOM 651 CA ILE A1423 22.886 94.050 60.379 1.00 40.57 C ATOM 652 C ILE A1423 23.559 93.023 59.467 1.00 42.52 C ATOM 653 O ILE A1423 23.241 92.964 58.289 1.00 42.33 O ATOM 654 CB ILE A1423 23.812 95.281 60.635 1.00 44.30 C ATOM 655 CG1 ILE A1423 22.991 96.454 61.206 1.00 46.76 C ATOM 656 CG2 ILE A1423 24.529 95.712 59.330 1.00 41.59 C ATOM 657 CD1 ILE A1423 23.854 97.532 61.912 1.00 57.55 C ATOM 658 H ILE A1423 22.888 93.790 62.525 1.00 0.00 H ATOM 659 N GLU A1424 24.466 92.202 60.002 1.00 39.20 N ATOM 660 CA GLU A1424 25.157 91.213 59.184 1.00 37.08 C ATOM 661 C GLU A1424 24.249 90.022 58.851 1.00 38.77 C ATOM 662 O GLU A1424 24.295 89.520 57.739 1.00 37.84 O ATOM 663 CB GLU A1424 26.416 90.735 59.896 1.00 39.13 C ATOM 664 CG GLU A1424 27.310 89.885 59.019 1.00 45.99 C ATOM 665 CD GLU A1424 28.698 89.685 59.581 1.00 54.11 C ATOM 666 OE1 GLU A1424 29.034 90.333 60.597 1.00 46.32 O ATOM 667 OE2 GLU A1424 29.438 88.841 59.034 1.00 42.41 O ATOM 668 H GLU A1424 24.683 92.269 61.017 1.00 0.00 H ATOM 669 N LEU A1425 23.437 89.573 59.797 1.00 34.47 N ATOM 670 CA LEU A1425 22.492 88.490 59.538 1.00 32.90 C ATOM 671 C LEU A1425 21.596 88.848 58.380 1.00 35.80 C ATOM 672 O LEU A1425 21.490 88.082 57.434 1.00 33.72 O ATOM 673 CB LEU A1425 21.649 88.205 60.787 1.00 33.24 C ATOM 674 CG LEU A1425 20.652 87.043 60.688 1.00 37.55 C ATOM 675 CD1 LEU A1425 21.334 85.744 60.295 1.00 37.22 C ATOM 676 CD2 LEU A1425 19.946 86.863 61.975 1.00 41.14 C ATOM 677 H LEU A1425 23.473 90.001 60.744 1.00 0.00 H ATOM 678 N LYS A1426 20.989 90.052 58.422 1.00 34.93 N ATOM 679 CA LYS A1426 20.126 90.527 57.354 1.00 35.09 C ATOM 680 C LYS A1426 20.912 90.662 56.038 1.00 38.20 C ATOM 681 O LYS A1426 20.399 90.299 54.980 1.00 35.73 O ATOM 682 CB LYS A1426 19.501 91.863 57.764 1.00 39.98 C ATOM 683 CG LYS A1426 18.612 92.506 56.737 1.00 51.79 C ATOM 684 CD LYS A1426 17.334 93.113 57.373 1.00 63.92 C ATOM 685 CE LYS A1426 17.597 94.147 58.429 1.00 70.71 C ATOM 686 NZ LYS A1426 16.331 94.758 58.916 1.00 78.49 N ATOM 687 HZ1 LYS A1426 15.839 95.214 58.121 1.00 0.00 H ATOM 688 HZ2 LYS A1426 15.724 94.018 59.322 1.00 0.00 H ATOM 689 HZ3 LYS A1426 16.548 95.468 59.644 1.00 0.00 H ATOM 690 H LYS A1426 21.145 90.663 59.249 1.00 0.00 H ATOM 691 N ARG A1427 22.174 91.123 56.109 1.00 36.41 N ATOM 692 CA ARG A1427 23.000 91.252 54.919 1.00 34.83 C ATOM 693 C ARG A1427 23.271 89.888 54.269 1.00 37.55 C ATOM 694 O ARG A1427 23.275 89.804 53.054 1.00 37.22 O ATOM 695 CB ARG A1427 24.318 91.961 55.235 1.00 35.20 C ATOM 696 CG ARG A1427 25.091 92.301 53.978 1.00 44.97 C ATOM 697 CD ARG A1427 26.220 93.289 54.222 1.00 51.97 C ATOM 698 NE ARG A1427 27.312 92.688 54.997 1.00 49.17 N ATOM 699 CZ ARG A1427 27.597 92.951 56.274 1.00 54.66 C ATOM 700 NH1 ARG A1427 28.619 92.349 56.870 1.00 49.82 N ATOM 701 NH2 ARG A1427 26.882 93.842 56.954 1.00 52.70 N ATOM 702 HE ARG A1427 27.916 91.997 54.508 1.00 0.00 H ATOM 703 HH12 ARG A1427 28.837 92.558 57.865 1.00 0.00 H ATOM 704 HH11 ARG A1427 29.202 91.669 56.342 1.00 0.00 H ATOM 705 HH22 ARG A1427 27.110 94.042 57.949 1.00 0.00 H ATOM 706 HH21 ARG A1427 26.095 94.339 56.491 1.00 0.00 H ATOM 707 H ARG A1427 22.567 91.393 57.034 1.00 0.00 H ATOM 708 N MET A1428 23.415 88.812 55.048 1.00 34.71 N ATOM 709 CA MET A1428 23.550 87.486 54.439 1.00 33.34 C ATOM 710 C MET A1428 22.370 87.201 53.472 1.00 37.34 C ATOM 711 O MET A1428 22.571 86.723 52.339 1.00 34.66 O ATOM 712 CB MET A1428 23.606 86.399 55.507 1.00 34.47 C ATOM 713 CG MET A1428 23.932 85.042 54.933 1.00 36.92 C ATOM 714 SD MET A1428 24.104 83.781 56.194 1.00 38.76 S ATOM 715 CE MET A1428 22.428 83.269 56.360 1.00 36.84 C ATOM 716 H MET A1428 23.431 88.915 56.083 1.00 0.00 H ATOM 717 N PHE A1429 21.155 87.480 53.929 1.00 34.74 N ATOM 718 CA PHE A1429 19.951 87.235 53.117 1.00 34.13 C ATOM 719 C PHE A1429 19.848 88.233 51.983 1.00 36.02 C ATOM 720 O PHE A1429 19.545 87.836 50.851 1.00 32.52 O ATOM 721 CB PHE A1429 18.704 87.287 53.990 1.00 35.49 C ATOM 722 CG PHE A1429 18.728 86.241 55.089 1.00 36.07 C ATOM 723 CD1 PHE A1429 18.817 84.889 54.784 1.00 36.45 C ATOM 724 CD2 PHE A1429 18.700 86.615 56.432 1.00 36.42 C ATOM 725 CE1 PHE A1429 18.921 83.939 55.792 1.00 35.99 C ATOM 726 CE2 PHE A1429 18.705 85.649 57.439 1.00 37.37 C ATOM 727 CZ PHE A1429 18.802 84.321 57.115 1.00 35.37 C ATOM 728 H PHE A1429 21.051 87.881 54.883 1.00 0.00 H ATOM 729 N ASP A1430 20.132 89.540 52.263 1.00 34.73 N ATOM 730 CA ASP A1430 20.021 90.578 51.248 1.00 33.72 C ATOM 731 C ASP A1430 21.065 90.388 50.137 1.00 35.36 C ATOM 732 O ASP A1430 20.736 90.552 48.961 1.00 33.14 O ATOM 733 CB ASP A1430 20.129 91.983 51.874 1.00 35.97 C ATOM 734 CG ASP A1430 19.011 92.291 52.874 1.00 38.32 C ATOM 735 OD1 ASP A1430 17.933 91.662 52.778 1.00 40.51 O ATOM 736 OD2 ASP A1430 19.185 93.210 53.689 1.00 37.82 O ATOM 737 H ASP A1430 20.435 89.799 53.224 1.00 0.00 H ATOM 738 N ASN A1431 22.299 89.959 50.487 1.00 33.44 N ATOM 739 CA ASN A1431 23.323 89.700 49.488 1.00 31.45 C ATOM 740 C ASN A1431 22.853 88.608 48.573 1.00 37.81 C ATOM 741 O ASN A1431 22.939 88.723 47.351 1.00 37.49 O ATOM 742 CB ASN A1431 24.614 89.263 50.149 1.00 31.14 C ATOM 743 CG ASN A1431 25.388 90.382 50.785 1.00 34.21 C ATOM 744 OD1 ASN A1431 25.140 91.564 50.545 1.00 31.60 O ATOM 745 ND2 ASN A1431 26.390 90.027 51.554 1.00 35.58 N ATOM 746 HD22 ASN A1431 26.573 89.020 51.737 1.00 0.00 H ATOM 747 HD21 ASN A1431 27.001 90.753 51.980 1.00 0.00 H ATOM 748 H ASN A1431 22.520 89.811 51.492 1.00 0.00 H ATOM 749 N CYS A1432 22.329 87.544 49.167 1.00 35.98 N ATOM 750 CA CYS A1432 21.862 86.391 48.429 1.00 34.53 C ATOM 751 C CYS A1432 20.765 86.786 47.427 1.00 35.86 C ATOM 752 O CYS A1432 20.857 86.399 46.268 1.00 36.39 O ATOM 753 CB CYS A1432 21.385 85.310 49.392 1.00 34.14 C ATOM 754 SG CYS A1432 20.851 83.775 48.590 1.00 37.75 S ATOM 755 H CYS A1432 22.251 87.539 50.204 1.00 0.00 H ATOM 756 N ARG A1433 19.783 87.588 47.833 1.00 32.78 N ATOM 757 CA ARG A1433 18.701 87.972 46.919 1.00 32.65 C ATOM 758 C ARG A1433 19.144 89.047 45.902 1.00 37.55 C ATOM 759 O ARG A1433 18.539 89.160 44.833 1.00 36.15 O ATOM 760 CB ARG A1433 17.480 88.461 47.700 1.00 33.55 C ATOM 761 CG ARG A1433 16.744 87.320 48.459 1.00 34.32 C ATOM 762 CD ARG A1433 15.520 87.854 49.179 1.00 37.49 C ATOM 763 NE ARG A1433 15.905 88.796 50.250 1.00 33.89 N ATOM 764 CZ ARG A1433 15.866 88.541 51.559 1.00 36.95 C ATOM 765 NH1 ARG A1433 15.367 87.397 52.008 1.00 35.71 N ATOM 766 NH2 ARG A1433 16.294 89.441 52.427 1.00 34.90 N ATOM 767 HE ARG A1433 16.235 89.738 49.959 1.00 0.00 H ATOM 768 HH12 ARG A1433 15.341 87.207 53.030 1.00 0.00 H ATOM 769 HH11 ARG A1433 15.002 86.690 51.338 1.00 0.00 H ATOM 770 HH22 ARG A1433 16.261 89.237 53.446 1.00 0.00 H ATOM 771 HH21 ARG A1433 16.663 90.353 52.091 1.00 0.00 H ATOM 772 H ARG A1433 19.783 87.947 48.809 1.00 0.00 H ATOM 773 N LEU A1434 20.208 89.814 46.213 1.00 35.02 N ATOM 774 CA LEU A1434 20.730 90.796 45.274 1.00 34.24 C ATOM 775 C LEU A1434 21.393 90.063 44.092 1.00 37.23 C ATOM 776 O LEU A1434 21.184 90.434 42.944 1.00 36.05 O ATOM 777 CB LEU A1434 21.744 91.732 45.987 1.00 33.32 C ATOM 778 CG LEU A1434 22.525 92.705 45.108 1.00 38.40 C ATOM 779 CD1 LEU A1434 21.582 93.668 44.376 1.00 38.77 C ATOM 780 CD2 LEU A1434 23.528 93.500 45.951 1.00 38.98 C ATOM 781 H LEU A1434 20.664 89.702 47.141 1.00 0.00 H ATOM 782 N TYR A1435 22.177 89.018 44.386 1.00 34.33 N ATOM 783 CA TYR A1435 22.937 88.295 43.373 1.00 33.89 C ATOM 784 C TYR A1435 22.080 87.289 42.597 1.00 37.63 C ATOM 785 O TYR A1435 22.251 87.155 41.398 1.00 38.72 O ATOM 786 CB TYR A1435 24.126 87.535 44.033 1.00 34.73 C ATOM 787 CG TYR A1435 25.003 86.829 43.022 1.00 37.18 C ATOM 788 CD1 TYR A1435 25.840 87.548 42.180 1.00 40.24 C ATOM 789 CD2 TYR A1435 24.863 85.468 42.784 1.00 38.31 C ATOM 790 CE1 TYR A1435 26.587 86.921 41.194 1.00 43.22 C ATOM 791 CE2 TYR A1435 25.579 84.832 41.769 1.00 40.08 C ATOM 792 CZ TYR A1435 26.467 85.557 40.999 1.00 45.53 C ATOM 793 OH TYR A1435 27.142 84.945 39.981 1.00 48.87 O ATOM 794 HH TYR A1435 27.732 85.603 39.535 1.00 0.00 H ATOM 795 H TYR A1435 22.247 88.710 45.377 1.00 0.00 H ATOM 796 N ASN A1436 21.252 86.515 43.293 1.00 32.33 N ATOM 797 CA ASN A1436 20.544 85.388 42.695 1.00 32.25 C ATOM 798 C ASN A1436 19.161 85.753 42.182 1.00 38.30 C ATOM 799 O ASN A1436 18.423 86.454 42.854 1.00 37.13 O ATOM 800 CB ASN A1436 20.429 84.293 43.702 1.00 29.13 C ATOM 801 CG ASN A1436 21.781 83.738 44.117 1.00 39.23 C ATOM 802 OD1 ASN A1436 22.277 83.959 45.226 1.00 37.06 O ATOM 803 ND2 ASN A1436 22.418 83.056 43.225 1.00 35.67 N ATOM 804 HD22 ASN A1436 21.984 82.880 42.297 1.00 0.00 H ATOM 805 HD21 ASN A1436 23.366 82.682 43.435 1.00 0.00 H ATOM 806 H ASN A1436 21.104 86.721 44.302 1.00 0.00 H ATOM 807 N ALA A1437 18.775 85.173 41.028 1.00 35.90 N ATOM 808 CA ALA A1437 17.456 85.370 40.441 1.00 35.96 C ATOM 809 C ALA A1437 16.392 84.699 41.287 1.00 38.77 C ATOM 810 O ALA A1437 16.690 83.754 42.021 1.00 35.28 O ATOM 811 CB ALA A1437 17.425 84.816 39.028 1.00 37.54 C ATOM 812 H ALA A1437 19.450 84.556 40.533 1.00 0.00 H ATOM 813 N PRO A1438 15.117 85.122 41.178 1.00 38.55 N ATOM 814 CA PRO A1438 14.087 84.565 42.071 1.00 37.95 C ATOM 815 C PRO A1438 13.792 83.066 41.898 1.00 43.85 C ATOM 816 O PRO A1438 13.273 82.462 42.821 1.00 42.32 O ATOM 817 CB PRO A1438 12.858 85.407 41.723 1.00 39.95 C ATOM 818 CG PRO A1438 13.409 86.665 41.248 1.00 43.33 C ATOM 819 CD PRO A1438 14.571 86.282 40.431 1.00 40.28 C ATOM 820 N THR A1439 14.133 82.476 40.751 1.00 44.66 N ATOM 821 CA THR A1439 13.901 81.043 40.479 1.00 44.98 C ATOM 822 C THR A1439 14.948 80.138 41.152 1.00 45.68 C ATOM 823 O THR A1439 14.768 78.928 41.176 1.00 45.09 O ATOM 824 CB THR A1439 13.951 80.802 38.968 1.00 56.39 C ATOM 825 OG1 THR A1439 15.229 81.238 38.492 1.00 59.84 O ATOM 826 CG2 THR A1439 12.849 81.544 38.221 1.00 59.33 C ATOM 827 HG1 THR A1439 15.283 81.091 37.514 1.00 0.00 H ATOM 828 H THR A1439 14.584 83.053 40.013 1.00 0.00 H ATOM 829 N THR A1440 16.052 80.704 41.641 1.00 39.98 N ATOM 830 CA THR A1440 17.116 79.892 42.229 1.00 39.26 C ATOM 831 C THR A1440 16.755 79.409 43.623 1.00 41.34 C ATOM 832 O THR A1440 16.008 80.068 44.354 1.00 37.80 O ATOM 833 CB THR A1440 18.451 80.662 42.276 1.00 41.83 C ATOM 834 OG1 THR A1440 18.358 81.731 43.251 1.00 32.65 O ATOM 835 CG2 THR A1440 18.842 81.200 40.921 1.00 37.69 C ATOM 836 HG1 THR A1440 17.629 82.349 42.993 1.00 0.00 H ATOM 837 H THR A1440 16.158 81.738 41.604 1.00 0.00 H ATOM 838 N ILE A1441 17.339 78.290 44.010 1.00 38.45 N ATOM 839 CA ILE A1441 17.133 77.739 45.356 1.00 38.30 C ATOM 840 C ILE A1441 17.689 78.681 46.385 1.00 37.69 C ATOM 841 O ILE A1441 17.205 78.709 47.515 1.00 36.13 O ATOM 842 CB ILE A1441 17.751 76.310 45.538 1.00 42.03 C ATOM 843 CG1 ILE A1441 19.275 76.323 45.310 1.00 41.51 C ATOM 844 CG2 ILE A1441 17.085 75.314 44.608 1.00 47.25 C ATOM 845 CD1 ILE A1441 19.985 74.961 45.655 1.00 58.97 C ATOM 846 H ILE A1441 17.960 77.786 43.345 1.00 0.00 H ATOM 847 N TYR A1442 18.741 79.438 46.019 1.00 35.06 N ATOM 848 CA TYR A1442 19.393 80.341 46.951 1.00 33.61 C ATOM 849 C TYR A1442 18.445 81.463 47.352 1.00 36.26 C ATOM 850 O TYR A1442 18.226 81.707 48.549 1.00 34.53 O ATOM 851 CB TYR A1442 20.684 80.904 46.334 1.00 35.02 C ATOM 852 CG TYR A1442 21.622 79.821 45.838 1.00 37.11 C ATOM 853 CD1 TYR A1442 22.099 78.838 46.700 1.00 37.48 C ATOM 854 CD2 TYR A1442 21.932 79.705 44.486 1.00 38.28 C ATOM 855 CE1 TYR A1442 22.949 77.833 46.249 1.00 37.04 C ATOM 856 CE2 TYR A1442 22.723 78.661 44.010 1.00 39.19 C ATOM 857 CZ TYR A1442 23.241 77.733 44.896 1.00 45.46 C ATOM 858 OH TYR A1442 24.026 76.696 44.442 1.00 48.28 O ATOM 859 HH TYR A1442 23.507 76.147 43.802 1.00 0.00 H ATOM 860 H TYR A1442 19.096 79.374 45.043 1.00 0.00 H ATOM 861 N PHE A1443 17.840 82.106 46.361 1.00 34.40 N ATOM 862 CA PHE A1443 16.875 83.188 46.591 1.00 33.77 C ATOM 863 C PHE A1443 15.692 82.672 47.437 1.00 38.10 C ATOM 864 O PHE A1443 15.298 83.302 48.412 1.00 39.29 O ATOM 865 CB PHE A1443 16.360 83.719 45.229 1.00 35.62 C ATOM 866 CG PHE A1443 15.472 84.938 45.334 1.00 35.37 C ATOM 867 CD1 PHE A1443 14.130 84.814 45.640 1.00 37.41 C ATOM 868 CD2 PHE A1443 15.959 86.199 45.026 1.00 34.34 C ATOM 869 CE1 PHE A1443 13.304 85.943 45.690 1.00 37.17 C ATOM 870 CE2 PHE A1443 15.170 87.326 45.202 1.00 35.95 C ATOM 871 CZ PHE A1443 13.840 87.192 45.486 1.00 34.27 C ATOM 872 H PHE A1443 18.058 81.832 45.382 1.00 0.00 H ATOM 873 N LYS A1444 15.158 81.512 47.069 1.00 36.90 N ATOM 874 CA LYS A1444 14.015 80.896 47.754 1.00 35.27 C ATOM 875 C LYS A1444 14.355 80.516 49.214 1.00 38.03 C ATOM 876 O LYS A1444 13.588 80.824 50.111 1.00 36.87 O ATOM 877 CB LYS A1444 13.560 79.667 46.988 1.00 38.42 C ATOM 878 CG LYS A1444 12.881 80.018 45.672 1.00 48.09 C ATOM 879 CD LYS A1444 12.446 78.773 44.923 1.00 54.58 C ATOM 880 CE LYS A1444 11.813 79.096 43.587 1.00 59.40 C ATOM 881 H LYS A1444 15.571 81.015 46.254 1.00 0.00 H ATOM 882 N TYR A1445 15.543 79.942 49.451 1.00 35.27 N ATOM 883 CA TYR A1445 15.960 79.553 50.806 1.00 35.09 C ATOM 884 C TYR A1445 16.245 80.744 51.675 1.00 38.06 C ATOM 885 O TYR A1445 16.018 80.675 52.876 1.00 37.16 O ATOM 886 CB TYR A1445 17.209 78.665 50.757 1.00 36.06 C ATOM 887 CG TYR A1445 16.958 77.234 50.324 1.00 38.38 C ATOM 888 CD1 TYR A1445 15.665 76.757 50.117 1.00 42.68 C ATOM 889 CD2 TYR A1445 18.013 76.367 50.088 1.00 38.76 C ATOM 890 CE1 TYR A1445 15.435 75.440 49.734 1.00 45.43 C ATOM 891 CE2 TYR A1445 17.796 75.048 49.707 1.00 41.72 C ATOM 892 CZ TYR A1445 16.507 74.582 49.545 1.00 48.62 C ATOM 893 OH TYR A1445 16.286 73.298 49.140 1.00 56.29 O ATOM 894 HH TYR A1445 15.311 73.136 49.077 1.00 0.00 H ATOM 895 H TYR A1445 16.188 79.767 48.654 1.00 0.00 H ATOM 896 N ALA A1446 16.828 81.794 51.108 1.00 35.65 N ATOM 897 CA ALA A1446 17.091 83.016 51.858 1.00 35.27 C ATOM 898 C ALA A1446 15.783 83.540 52.445 1.00 38.40 C ATOM 899 O ALA A1446 15.750 83.965 53.593 1.00 37.68 O ATOM 900 CB ALA A1446 17.709 84.065 50.948 1.00 35.42 C ATOM 901 H ALA A1446 17.103 81.743 50.106 1.00 0.00 H ATOM 902 N ASN A1447 14.704 83.458 51.685 1.00 36.13 N ATOM 903 CA ASN A1447 13.394 83.922 52.175 1.00 36.60 C ATOM 904 C ASN A1447 12.818 82.981 53.205 1.00 38.80 C ATOM 905 O ASN A1447 12.347 83.443 54.240 1.00 37.17 O ATOM 906 CB ASN A1447 12.423 84.101 51.032 1.00 36.87 C ATOM 907 CG ASN A1447 12.686 85.372 50.266 1.00 43.44 C ATOM 908 OD1 ASN A1447 13.041 86.405 50.851 1.00 33.36 O ATOM 909 ND2 ASN A1447 12.483 85.349 48.946 1.00 37.96 N ATOM 910 HD22 ASN A1447 12.185 84.468 48.481 1.00 0.00 H ATOM 911 HD21 ASN A1447 12.623 86.212 48.383 1.00 0.00 H ATOM 912 H ASN A1447 14.781 83.060 50.727 1.00 0.00 H ATOM 913 N GLU A1448 12.910 81.674 52.978 1.00 37.65 N ATOM 914 CA GLU A1448 12.400 80.699 53.949 1.00 38.35 C ATOM 915 C GLU A1448 13.168 80.780 55.246 1.00 39.67 C ATOM 916 O GLU A1448 12.571 80.834 56.313 1.00 39.45 O ATOM 917 CB GLU A1448 12.520 79.273 53.404 1.00 40.17 C ATOM 918 CG GLU A1448 11.583 78.975 52.249 1.00 54.91 C ATOM 919 CD GLU A1448 12.011 77.771 51.437 1.00 67.87 C ATOM 920 OE1 GLU A1448 12.644 76.861 52.017 1.00 55.50 O ATOM 921 OE2 GLU A1448 11.695 77.724 50.227 1.00 66.45 O ATOM 922 H GLU A1448 13.351 81.337 52.098 1.00 0.00 H ATOM 923 N LEU A1449 14.491 80.814 55.150 1.00 37.57 N ATOM 924 CA LEU A1449 15.364 80.848 56.309 1.00 36.92 C ATOM 925 C LEU A1449 15.239 82.154 57.077 1.00 38.27 C ATOM 926 O LEU A1449 15.184 82.127 58.296 1.00 38.09 O ATOM 927 CB LEU A1449 16.810 80.633 55.880 1.00 35.80 C ATOM 928 CG LEU A1449 17.786 80.364 57.003 1.00 40.96 C ATOM 929 CD1 LEU A1449 17.349 79.141 57.833 1.00 41.26 C ATOM 930 CD2 LEU A1449 19.222 80.217 56.465 1.00 41.52 C ATOM 931 H LEU A1449 14.921 80.816 54.203 1.00 0.00 H ATOM 932 N GLN A1450 15.209 83.289 56.392 1.00 35.87 N ATOM 933 CA GLN A1450 15.048 84.573 57.088 1.00 34.66 C ATOM 934 C GLN A1450 13.735 84.624 57.831 1.00 36.66 C ATOM 935 O GLN A1450 13.696 85.145 58.921 1.00 36.23 O ATOM 936 CB GLN A1450 15.135 85.750 56.125 1.00 34.97 C ATOM 937 CG GLN A1450 15.123 87.112 56.851 1.00 40.03 C ATOM 938 CD GLN A1450 15.408 88.265 55.940 1.00 44.07 C ATOM 939 OE1 GLN A1450 15.622 88.108 54.741 1.00 38.96 O ATOM 940 NE2 GLN A1450 15.524 89.428 56.506 1.00 40.57 N ATOM 941 HE22 GLN A1450 15.337 89.532 57.524 1.00 0.00 H ATOM 942 HE21 GLN A1450 15.804 90.255 55.942 1.00 0.00 H ATOM 943 H GLN A1450 15.300 83.270 55.356 1.00 0.00 H ATOM 944 N THR A1451 12.648 84.116 57.231 1.00 36.46 N ATOM 945 CA THR A1451 11.311 84.139 57.860 1.00 37.06 C ATOM 946 C THR A1451 11.349 83.279 59.151 1.00 40.73 C ATOM 947 O THR A1451 10.818 83.701 60.197 1.00 36.70 O ATOM 948 CB THR A1451 10.247 83.660 56.835 1.00 43.90 C ATOM 949 OG1 THR A1451 10.284 84.529 55.703 1.00 40.53 O ATOM 950 CG2 THR A1451 8.814 83.632 57.413 1.00 45.56 C ATOM 951 HG1 THR A1451 11.185 84.498 55.294 1.00 0.00 H ATOM 952 H THR A1451 12.750 83.690 56.288 1.00 0.00 H ATOM 953 N LEU A1452 12.057 82.113 59.090 1.00 39.38 N ATOM 954 CA LEU A1452 12.192 81.191 60.236 1.00 40.93 C ATOM 955 C LEU A1452 13.004 81.801 61.377 1.00 43.56 C ATOM 956 O LEU A1452 12.625 81.644 62.527 1.00 43.14 O ATOM 957 CB LEU A1452 12.881 79.866 59.806 1.00 41.42 C ATOM 958 CG LEU A1452 12.026 78.881 59.008 1.00 45.91 C ATOM 959 CD1 LEU A1452 12.902 77.830 58.332 1.00 44.17 C ATOM 960 CD2 LEU A1452 11.001 78.186 59.901 1.00 50.35 C ATOM 961 H LEU A1452 12.523 81.862 58.195 1.00 0.00 H ATOM 962 N ILE A1453 14.150 82.440 61.071 1.00 41.63 N ATOM 963 CA ILE A1453 15.055 82.924 62.111 1.00 41.96 C ATOM 964 C ILE A1453 14.606 84.249 62.737 1.00 47.53 C ATOM 965 O ILE A1453 14.944 84.497 63.884 1.00 46.28 O ATOM 966 CB ILE A1453 16.526 83.073 61.561 1.00 44.21 C ATOM 967 CG1 ILE A1453 17.548 82.987 62.719 1.00 44.96 C ATOM 968 CG2 ILE A1453 16.742 84.395 60.783 1.00 41.73 C ATOM 969 CD1 ILE A1453 17.553 81.682 63.423 1.00 45.95 C ATOM 970 H ILE A1453 14.396 82.592 60.072 1.00 0.00 H ATOM 971 N TRP A1454 13.882 85.096 62.015 1.00 47.75 N ATOM 972 CA TRP A1454 13.633 86.449 62.511 1.00 50.23 C ATOM 973 C TRP A1454 12.982 86.485 63.932 1.00 52.09 C ATOM 974 O TRP A1454 13.492 87.214 64.772 1.00 51.21 O ATOM 975 CB TRP A1454 12.820 87.293 61.534 1.00 51.08 C ATOM 976 CG TRP A1454 13.278 88.728 61.552 1.00 53.76 C ATOM 977 CD1 TRP A1454 12.632 89.773 62.132 1.00 57.76 C ATOM 978 CD2 TRP A1454 14.612 89.194 61.262 1.00 53.45 C ATOM 979 NE1 TRP A1454 13.438 90.892 62.126 1.00 57.24 N ATOM 980 CE2 TRP A1454 14.674 90.550 61.640 1.00 58.22 C ATOM 981 CE3 TRP A1454 15.768 88.585 60.729 1.00 54.44 C ATOM 982 CZ2 TRP A1454 15.823 91.330 61.445 1.00 57.55 C ATOM 983 CZ3 TRP A1454 16.912 89.352 60.561 1.00 55.21 C ATOM 984 CH2 TRP A1454 16.932 90.706 60.915 1.00 56.70 C ATOM 985 HE1 TRP A1454 13.154 91.842 62.440 1.00 0.00 H ATOM 986 H TRP A1454 13.493 84.798 61.098 1.00 0.00 H ATOM 987 N PRO A1455 11.984 85.652 64.280 1.00 49.87 N ATOM 988 CA PRO A1455 11.493 85.660 65.678 1.00 51.03 C ATOM 989 C PRO A1455 12.593 85.311 66.709 1.00 51.17 C ATOM 990 O PRO A1455 12.613 85.879 67.795 1.00 50.42 O ATOM 991 CB PRO A1455 10.387 84.594 65.679 1.00 54.23 C ATOM 992 CG PRO A1455 10.028 84.405 64.245 1.00 58.58 C ATOM 993 CD PRO A1455 11.236 84.695 63.444 1.00 52.06 C ATOM 994 N LYS A1456 13.540 84.430 66.341 1.00 45.91 N ATOM 995 CA LYS A1456 14.629 84.047 67.248 1.00 44.95 C ATOM 996 C LYS A1456 15.568 85.218 67.429 1.00 45.72 C ATOM 997 O LYS A1456 15.921 85.547 68.561 1.00 44.64 O ATOM 998 CB LYS A1456 15.396 82.812 66.725 1.00 47.09 C ATOM 999 CG LYS A1456 14.515 81.591 66.433 1.00 54.43 C ATOM 1000 CD LYS A1456 13.806 81.085 67.670 1.00 63.87 C ATOM 1001 CE LYS A1456 13.016 79.825 67.412 1.00 66.29 C ATOM 1002 NZ LYS A1456 12.361 79.326 68.656 1.00 77.41 N ATOM 1003 HZ1 LYS A1456 13.088 79.119 69.370 1.00 0.00 H ATOM 1004 HZ2 LYS A1456 11.713 80.053 69.020 1.00 0.00 H ATOM 1005 HZ3 LYS A1456 11.827 78.460 68.442 1.00 0.00 H ATOM 1006 H LYS A1456 13.500 84.010 65.391 1.00 0.00 H ATOM 1007 N TYR A1457 15.928 85.898 66.322 1.00 40.73 N ATOM 1008 CA TYR A1457 16.775 87.088 66.394 1.00 40.65 C ATOM 1009 C TYR A1457 16.093 88.190 67.249 1.00 48.10 C ATOM 1010 O TYR A1457 16.758 88.840 68.052 1.00 47.74 O ATOM 1011 CB TYR A1457 17.059 87.641 64.981 1.00 39.66 C ATOM 1012 CG TYR A1457 17.599 89.048 65.008 1.00 38.73 C ATOM 1013 CD1 TYR A1457 18.910 89.302 65.397 1.00 39.59 C ATOM 1014 CD2 TYR A1457 16.769 90.140 64.760 1.00 40.77 C ATOM 1015 CE1 TYR A1457 19.383 90.602 65.539 1.00 41.06 C ATOM 1016 CE2 TYR A1457 17.226 91.445 64.917 1.00 42.61 C ATOM 1017 CZ TYR A1457 18.537 91.672 65.304 1.00 49.01 C ATOM 1018 OH TYR A1457 19.008 92.951 65.421 1.00 53.63 O ATOM 1019 HH TYR A1457 19.956 92.928 65.704 1.00 0.00 H ATOM 1020 H TYR A1457 15.595 85.568 65.394 1.00 0.00 H ATOM 1021 N GLU A1458 14.765 88.394 67.052 1.00 46.24 N ATOM 1022 CA GLU A1458 14.010 89.442 67.756 1.00 48.98 C ATOM 1023 C GLU A1458 13.985 89.206 69.255 1.00 55.11 C ATOM 1024 O GLU A1458 14.017 90.168 70.013 1.00 56.94 O ATOM 1025 CB GLU A1458 12.553 89.527 67.234 1.00 51.00 C ATOM 1026 CG GLU A1458 12.433 90.175 65.859 1.00 62.69 C ATOM 1027 CD GLU A1458 11.016 90.364 65.341 1.00102.19 C ATOM 1028 OE1 GLU A1458 10.084 89.706 65.865 1.00 96.51 O ATOM 1029 OE2 GLU A1458 10.842 91.174 64.401 1.00101.97 O ATOM 1030 H GLU A1458 14.261 87.785 66.376 1.00 0.00 H ATOM 1031 N ALA A1459 13.984 87.931 69.683 1.00 50.76 N ATOM 1032 CA ALA A1459 13.930 87.574 71.096 1.00 51.21 C ATOM 1033 C ALA A1459 15.279 87.776 71.819 1.00 55.58 C ATOM 1034 O ALA A1459 15.313 87.653 73.044 1.00 58.26 O ATOM 1035 CB ALA A1459 13.490 86.134 71.241 1.00 51.17 C ATOM 1036 H ALA A1459 14.023 87.168 68.977 1.00 0.00 H ATOM 1037 N ILE A1460 16.382 88.068 71.089 1.00 49.06 N ATOM 1038 CA ILE A1460 17.698 88.309 71.725 1.00 52.14 C ATOM 1039 C ILE A1460 17.563 89.445 72.721 1.00 58.96 C ATOM 1040 O ILE A1460 16.965 90.488 72.352 1.00 58.52 O ATOM 1041 CB ILE A1460 18.818 88.635 70.678 1.00 53.13 C ATOM 1042 CG1 ILE A1460 19.198 87.378 69.882 1.00 51.52 C ATOM 1043 CG2 ILE A1460 20.090 89.228 71.390 1.00 54.55 C ATOM 1044 CD1 ILE A1460 20.265 87.644 68.765 1.00 51.58 C ATOM 1045 OXT ILE A1460 18.081 89.301 73.850 1.00 79.23 O ATOM 1046 H ILE A1460 16.303 88.125 70.054 1.00 0.00 H TER 1047 ILE A1460 HETATM 1048 O HOH 1 18.982 92.344 48.475 1.00 41.90 O HETATM 1049 O HOH 2 33.584 92.496 46.690 1.00 56.48 O HETATM 1050 O HOH 3 27.510 94.714 62.025 1.00 45.66 O HETATM 1051 O HOH 4 26.141 78.304 63.300 1.00 60.11 O HETATM 1052 O HOH 5 21.545 94.261 54.073 1.00 36.48 O HETATM 1053 O HOH 6 34.421 93.981 48.788 1.00 47.45 O HETATM 1054 O HOH 7 24.795 85.122 48.789 1.00 26.88 O HETATM 1055 O HOH 8 27.400 81.536 51.225 1.00 40.85 O HETATM 1056 O HOH 9 28.885 84.612 37.195 1.00 65.38 O HETATM 1057 O HOH 10 16.782 91.102 44.275 1.00 34.51 O HETATM 1058 O HOH 11 13.478 74.411 58.277 1.00 44.74 O HETATM 1059 O HOH 12 30.983 91.250 55.572 1.00 49.45 O HETATM 1060 O HOH 13 22.677 82.309 40.658 1.00 40.72 O HETATM 1061 O HOH 14 24.078 76.577 41.755 1.00 48.19 O HETATM 1062 O HOH 15 28.214 77.486 39.273 1.00 52.17 O HETATM 1063 O HOH 16 24.730 85.392 51.415 1.00 29.14 O HETATM 1064 O HOH 17 21.990 94.693 56.634 1.00 34.39 O HETATM 1065 O HOH 18 33.635 88.354 41.564 1.00 41.14 O HETATM 1066 O HOH 19 37.040 90.393 71.414 1.00 64.75 O HETATM 1067 O HOH 20 34.461 88.782 37.646 1.00 66.87 O HETATM 1068 O HOH 21 14.115 92.914 67.325 1.00 68.71 O HETATM 1069 O HOH 22 34.222 78.561 49.570 1.00 55.54 O HETATM 1070 O HOH 23 14.101 75.303 55.923 1.00 47.51 O HETATM 1071 O HOH 24 9.081 85.806 60.266 1.00 49.14 O HETATM 1072 O HOH 25 27.154 93.367 50.115 1.00 30.81 O HETATM 1073 O HOH 26 30.865 74.846 45.255 1.00 39.74 O HETATM 1074 O HOH 27 13.721 94.869 59.789 1.00 65.92 O HETATM 1075 O HOH 28 19.502 82.353 71.438 1.00 50.53 O HETATM 1076 O HOH 29 24.323 72.984 59.490 1.00 56.45 O HETATM 1077 O HOH 30 10.432 87.148 68.936 1.00 51.96 O HETATM 1078 O HOH 31 23.251 89.261 39.888 1.00 55.14 O HETATM 1079 O HOH 32 28.534 94.144 74.782 1.00 67.19 O HETATM 1080 O HOH 33 11.170 83.200 44.543 1.00 36.54 O HETATM 1081 O HOH 34 26.028 83.356 52.629 1.00 28.14 O HETATM 1082 O HOH 35 26.257 72.598 53.346 1.00 51.51 O HETATM 1083 O HOH 36 9.800 80.148 56.218 1.00 49.38 O HETATM 1084 O HOH 37 16.671 91.483 49.615 1.00 51.92 O HETATM 1085 O HOH 38 27.026 87.216 51.283 1.00 32.79 O HETATM 1086 O HOH 39 29.355 84.118 50.435 1.00 41.62 O HETATM 1087 O HOH 40 23.013 93.473 50.098 1.00 38.65 O HETATM 1088 O HOH 41 26.075 95.764 43.676 1.00 49.32 O HETATM 1089 O HOH 42 33.252 85.798 51.421 1.00 44.03 O HETATM 1090 O HOH 43 33.133 87.526 54.982 1.00 42.70 O HETATM 1091 O HOH 44 26.963 94.648 47.672 1.00 45.20 O HETATM 1092 O HOH 45 30.052 88.585 69.802 1.00 42.79 O HETATM 1093 O HOH 46 13.431 91.201 72.735 1.00 69.84 O HETATM 1094 O HOH 47 30.843 84.910 52.620 1.00 39.04 O HETATM 1095 O HOH 48 35.768 83.357 58.709 1.00 46.22 O HETATM 1096 O HOH 49 24.691 79.415 73.467 1.00 55.16 O HETATM 1097 O HOH 50 24.952 95.962 56.000 1.00 49.31 O HETATM 1098 O HOH 51 11.178 83.274 47.155 1.00 33.64 O HETATM 1099 O HOH 52 20.832 83.765 39.274 1.00 41.11 O HETATM 1100 O HOH 53 18.702 94.962 62.023 1.00 60.58 O HETATM 1101 O HOH 54 33.892 89.092 57.012 1.00 48.35 O HETATM 1102 O HOH 55 10.434 75.312 62.483 1.00 76.32 O HETATM 1103 O HOH 56 14.426 71.807 58.824 1.00 60.62 O HETATM 1104 O HOH 57 14.207 73.345 64.194 1.00 56.15 O HETATM 1105 O HOH 58 19.181 77.277 41.491 1.00 42.57 O HETATM 1106 O HOH 59 25.064 82.432 39.271 1.00 54.56 O HETATM 1107 O HOH 60 30.979 93.800 63.361 1.00 63.43 O HETATM 1108 O HOH 61 34.511 72.757 54.415 1.00 52.36 O HETATM 1109 O HOH 62 25.225 96.525 53.348 1.00 53.62 O HETATM 1110 O HOH 63 36.092 89.843 42.268 1.00 61.48 O HETATM 1111 O HOH 64 20.867 94.305 48.614 1.00 46.14 O HETATM 1112 O HOH 65 35.558 85.531 60.266 1.00 49.56 O HETATM 1113 O HOH 66 21.778 96.328 52.273 1.00 61.63 O HETATM 1114 C14 UNN A 67 30.759 77.135 48.415 1.00 -0.04 C HETATM 1115 N5 UNN A 67 29.370 77.504 48.063 1.00 0.25 N HETATM 1116 C13 UNN A 67 28.878 78.541 48.980 1.00 -0.04 C HETATM 1117 H5 UNN A 67 27.846 78.809 48.711 1.00 0.08 H HETATM 1118 H6 UNN A 67 29.519 79.432 48.904 1.00 0.08 H HETATM 1119 H7 UNN A 67 28.901 78.159 50.011 1.00 0.08 H HETATM 1120 C12 UNN A 67 28.480 76.367 47.740 1.00 0.04 C HETATM 1121 C15 UNN A 67 28.435 75.336 48.859 1.00 0.01 C HETATM 1122 C20 UNN A 67 27.813 75.618 50.080 1.00 -0.05 C HETATM 1123 C19 UNN A 67 27.908 74.733 51.142 1.00 -0.07 C HETATM 1124 C18 UNN A 67 28.602 73.536 50.995 1.00 -0.07 C HETATM 1125 C17 UNN A 67 29.212 73.241 49.788 1.00 -0.07 C HETATM 1126 C16 UNN A 67 29.129 74.129 48.727 1.00 -0.05 C HETATM 1127 H13 UNN A 67 29.607 73.885 47.785 1.00 0.06 H HETATM 1128 H12 UNN A 67 29.757 72.311 49.672 1.00 0.06 H HETATM 1129 H11 UNN A 67 28.665 72.838 51.822 1.00 0.06 H HETATM 1130 H10 UNN A 67 27.440 74.974 52.090 1.00 0.06 H HETATM 1131 H9 UNN A 67 27.251 76.538 50.196 1.00 0.06 H HETATM 1132 C1 UNN A 67 27.035 76.748 47.332 1.00 0.09 C HETATM 1133 C UNN A 67 26.186 75.529 47.012 1.00 -0.04 C HETATM 1134 H15 UNN A 67 25.173 75.852 46.729 1.00 0.03 H HETATM 1135 H16 UNN A 67 26.130 74.879 47.897 1.00 0.03 H HETATM 1136 H17 UNN A 67 26.640 74.974 46.178 1.00 0.03 H HETATM 1137 N UNN A 67 27.022 77.646 46.181 1.00 -0.29 N HETATM 1138 C2 UNN A 67 26.363 78.832 46.170 1.00 0.15 C HETATM 1139 C11 UNN A 67 26.288 79.485 44.859 1.00 0.04 C HETATM 1140 C10 UNN A 67 26.678 78.828 43.687 1.00 -0.04 C HETATM 1141 C9 UNN A 67 26.490 79.434 42.454 1.00 -0.06 C HETATM 1142 C8 UNN A 67 25.935 80.700 42.374 1.00 -0.06 C HETATM 1143 C7 UNN A 67 25.544 81.365 43.525 1.00 -0.04 C HETATM 1144 C6 UNN A 67 25.698 80.757 44.775 1.00 0.05 C HETATM 1145 C5 UNN A 67 25.191 81.349 45.989 1.00 0.18 C HETATM 1146 N2 UNN A 67 25.300 80.612 47.148 1.00 -0.12 N HETATM 1147 N1 UNN A 67 25.909 79.352 47.283 1.00 -0.15 N HETATM 1148 C3 UNN A 67 24.635 81.336 48.116 1.00 0.16 C HETATM 1149 N3 UNN A 67 24.163 82.434 47.590 1.00 -0.27 N HETATM 1150 N4 UNN A 67 24.505 82.442 46.236 1.00 -0.28 N HETATM 1151 C4 UNN A 67 24.556 80.946 49.548 1.00 0.02 C HETATM 1152 H23 UNN A 67 23.969 81.695 50.100 1.00 0.05 H HETATM 1153 H24 UNN A 67 25.570 80.892 49.970 1.00 0.05 H HETATM 1154 H25 UNN A 67 24.070 79.963 49.634 1.00 0.05 H HETATM 1155 H22 UNN A 67 25.118 82.359 43.456 1.00 0.06 H HETATM 1156 H21 UNN A 67 25.806 81.173 41.407 1.00 0.06 H HETATM 1157 H20 UNN A 67 26.779 78.914 41.548 1.00 0.06 H HETATM 1158 H19 UNN A 67 27.128 77.843 43.743 1.00 0.07 H HETATM 1159 H18 UNN A 67 27.539 77.365 45.335 1.00 0.18 H HETATM 1160 H14 UNN A 67 26.576 77.271 48.184 1.00 0.06 H HETATM 1161 H8 UNN A 67 28.929 75.873 46.865 1.00 0.10 H HETATM 1162 H4 UNN A 67 29.452 77.983 47.180 1.00 0.20 H HETATM 1163 H1 UNN A 67 31.335 78.045 48.636 1.00 0.08 H HETATM 1164 H2 UNN A 67 31.223 76.604 47.571 1.00 0.08 H HETATM 1165 H3 UNN A 67 30.752 76.481 49.300 1.00 0.08 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1114 1115 1163 1164 1165 CONECT 1115 1114 1116 1120 1162 CONECT 1116 1115 1117 1118 1119 CONECT 1117 1116 CONECT 1118 1116 CONECT 1119 1116 CONECT 1120 1115 1121 1132 1161 CONECT 1121 1120 1122 1126 CONECT 1122 1121 1123 1131 CONECT 1123 1122 1124 1130 CONECT 1124 1123 1125 1129 CONECT 1125 1124 1126 1128 CONECT 1126 1121 1125 1127 CONECT 1127 1126 CONECT 1128 1125 CONECT 1129 1124 CONECT 1130 1123 CONECT 1131 1122 CONECT 1132 1120 1133 1137 1160 CONECT 1133 1132 1134 1135 1136 CONECT 1134 1133 CONECT 1135 1133 CONECT 1136 1133 CONECT 1137 1132 1138 1159 CONECT 1138 1137 1139 1147 CONECT 1139 1138 1140 1144 CONECT 1140 1139 1141 1158 CONECT 1141 1140 1142 1157 CONECT 1142 1141 1143 1156 CONECT 1143 1142 1144 1155 CONECT 1144 1139 1143 1145 CONECT 1145 1144 1146 1150 CONECT 1146 1145 1147 1148 CONECT 1147 1138 1146 CONECT 1148 1146 1149 1151 CONECT 1149 1148 1150 CONECT 1150 1145 1149 CONECT 1151 1148 1152 1153 1154 CONECT 1152 1151 CONECT 1153 1151 CONECT 1154 1151 CONECT 1155 1143 CONECT 1156 1142 CONECT 1157 1141 CONECT 1158 1140 CONECT 1159 1137 CONECT 1160 1132 CONECT 1161 1120 CONECT 1162 1115 CONECT 1163 1114 CONECT 1164 1114 CONECT 1165 1114 MASTER 0 0 0 0 0 0 0 0 1164 1 56 9 END
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Related entries of code: 5tpx
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5tpx
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Histone acetyltransferase GCN5
Ligand Name
7H7
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=280nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 827-831
Ligand Properties
Formula
C
2
1
H
2
5
N
6
Molecular Weight
361.463
Exact Mass
361.214
No. of atoms
52
No. of bonds
55
Polar Surface Area
59.55
LOGP Value
3.71 (
Computed with XLOGP3
)
2.35 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
Cc1nnc2n1nc(N[C@H]([C@H](c1ccccc1)[NH+](C)C)C)c1c2cccc1
InChI String
InChI=1S/C21H24N6/c1-14(19(26(3)4)16-10-6-5-7-11-16)22-20-17-12-8-9-13-18(17)21-24-23-15(2)27(21)25-20/h5-14,19H,1-4H3,(H,22,25)/p+1/t14-,19+/m0/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8IB67
Entrez Gene ID
NCBI Entrez Gene ID:
2655485
ASD
Information of known allosteric effects of PDB entries
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