Browse entries in the PDBbind-CN Database
HEADER 5EK9_COMPLEX COMPND 5EK9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 107 GLU GLN LEU LYS HIS CYS ASN GLY ILE LEU LYS GLU LEU SEQRES 2 A 107 LEU SER LYS LYS HIS ALA ALA TYR ALA TRP PRO PHE TYR SEQRES 3 A 107 LYS PRO VAL ASP ALA SER ALA LEU GLY LEU HIS ASP TYR SEQRES 4 A 107 HIS ASP ILE ILE LYS HIS PRO MET ASP LEU SER THR VAL SEQRES 5 A 107 LYS ARG LYS MET GLU ASN ARG ASP TYR ARG ASP ALA GLN SEQRES 6 A 107 GLU PHE ALA ALA ASP VAL ARG LEU MET PHE SER ASN CYS SEQRES 7 A 107 TYR LYS TYR ASN PRO PRO ASP HIS ASP VAL VAL ALA MET SEQRES 8 A 107 ALA ARG LYS LEU GLN ASP VAL PHE GLU PHE ARG TYR ALA SEQRES 9 A 107 LYS MET PRO HET UNN A 147 50 ATOM 1 N GLU A 348 31.257 14.812 69.269 1.00 52.65 N ATOM 2 CA GLU A 348 32.312 14.464 68.254 1.00 55.77 C ATOM 3 C GLU A 348 31.670 14.368 66.834 1.00 58.09 C ATOM 4 O GLU A 348 31.803 15.299 66.015 1.00 55.17 O ATOM 5 CB GLU A 348 33.164 13.225 68.697 1.00 59.90 C ATOM 6 CG GLU A 348 32.620 11.782 68.559 1.00 61.27 C ATOM 7 CD GLU A 348 31.274 11.529 69.239 1.00 61.71 C ATOM 8 OE1 GLU A 348 30.788 12.411 69.978 1.00 61.76 O ATOM 9 OE2 GLU A 348 30.688 10.443 69.016 1.00 57.16 O ATOM 10 HN3 GLU A 348 30.524 14.074 69.272 1.00 0.00 H ATOM 11 HN2 GLU A 348 30.829 15.727 69.022 1.00 0.00 H ATOM 12 HN1 GLU A 348 31.692 14.874 70.212 1.00 0.00 H ATOM 13 N GLN A 349 30.918 13.296 66.572 1.00 56.22 N ATOM 14 CA GLN A 349 30.130 13.188 65.349 1.00 51.78 C ATOM 15 C GLN A 349 28.901 14.061 65.487 1.00 46.52 C ATOM 16 O GLN A 349 28.416 14.600 64.512 1.00 39.78 O ATOM 17 CB GLN A 349 29.718 11.753 65.102 1.00 52.96 C ATOM 18 CG GLN A 349 30.832 10.921 64.509 1.00 56.52 C ATOM 19 CD GLN A 349 30.284 9.791 63.684 1.00 57.79 C ATOM 20 OE1 GLN A 349 29.358 9.099 64.119 1.00 57.66 O ATOM 21 NE2 GLN A 349 30.826 9.609 62.480 1.00 54.31 N ATOM 22 HE22 GLN A 349 31.605 10.221 62.162 1.00 0.00 H ATOM 23 HE21 GLN A 349 30.470 8.855 61.858 1.00 0.00 H ATOM 24 H GLN A 349 30.893 12.516 67.259 1.00 0.00 H ATOM 25 N LEU A 350 28.426 14.211 66.718 1.00 44.89 N ATOM 26 CA LEU A 350 27.345 15.123 67.021 1.00 44.40 C ATOM 27 C LEU A 350 27.660 16.547 66.659 1.00 42.10 C ATOM 28 O LEU A 350 26.792 17.248 66.148 1.00 41.10 O ATOM 29 CB LEU A 350 26.959 15.047 68.502 1.00 46.55 C ATOM 30 CG LEU A 350 26.000 13.899 68.842 1.00 46.41 C ATOM 31 CD1 LEU A 350 25.657 13.916 70.325 1.00 46.80 C ATOM 32 CD2 LEU A 350 24.734 13.978 67.998 1.00 45.47 C ATOM 33 H LEU A 350 28.845 13.654 67.490 1.00 0.00 H ATOM 34 N LYS A 351 28.885 16.993 66.908 1.00 43.12 N ATOM 35 CA LYS A 351 29.275 18.342 66.467 1.00 45.21 C ATOM 36 C LYS A 351 29.178 18.523 64.954 1.00 40.10 C ATOM 37 O LYS A 351 28.688 19.556 64.482 1.00 41.48 O ATOM 38 CB LYS A 351 30.671 18.723 66.973 1.00 49.58 C ATOM 39 CG LYS A 351 30.626 19.103 68.441 1.00 54.86 C ATOM 40 CD LYS A 351 31.961 19.527 69.012 1.00 57.16 C ATOM 41 CE LYS A 351 31.771 19.863 70.474 1.00 58.68 C ATOM 42 NZ LYS A 351 32.968 20.555 71.009 1.00 62.81 N ATOM 43 HZ1 LYS A 351 33.798 19.936 70.910 1.00 0.00 H ATOM 44 HZ2 LYS A 351 33.125 21.435 70.478 1.00 0.00 H ATOM 45 HZ3 LYS A 351 32.818 20.777 72.014 1.00 0.00 H ATOM 46 H LYS A 351 29.567 16.391 67.413 1.00 0.00 H ATOM 47 N HIS A 352 29.592 17.517 64.191 1.00 37.90 N ATOM 48 CA HIS A 352 29.399 17.575 62.739 1.00 36.51 C ATOM 49 C HIS A 352 27.915 17.643 62.368 1.00 32.50 C ATOM 50 O HIS A 352 27.572 18.223 61.360 1.00 27.94 O ATOM 51 CB HIS A 352 30.029 16.375 62.037 1.00 39.79 C ATOM 52 CG HIS A 352 31.515 16.291 62.191 1.00 46.23 C ATOM 53 ND1 HIS A 352 32.346 17.380 62.009 1.00 49.46 N ATOM 54 CD2 HIS A 352 32.324 15.241 62.483 1.00 48.47 C ATOM 55 CE1 HIS A 352 33.600 17.007 62.196 1.00 50.49 C ATOM 56 NE2 HIS A 352 33.614 15.714 62.478 1.00 51.55 N ATOM 57 H HIS A 352 30.052 16.690 64.623 1.00 0.00 H ATOM 58 N CYS A 353 27.039 17.034 63.168 1.00 30.84 N ATOM 59 CA CYS A 353 25.613 17.083 62.885 1.00 31.03 C ATOM 60 C CYS A 353 25.083 18.496 62.956 1.00 32.46 C ATOM 61 O CYS A 353 24.224 18.858 62.175 1.00 30.15 O ATOM 62 CB CYS A 353 24.822 16.160 63.808 1.00 31.76 C ATOM 63 SG CYS A 353 25.168 14.431 63.423 1.00 32.73 S ATOM 64 H CYS A 353 27.379 16.518 64.004 1.00 0.00 H ATOM 65 N ASN A 354 25.639 19.305 63.856 1.00 32.87 N ATOM 66 CA ASN A 354 25.268 20.701 63.915 1.00 34.22 C ATOM 67 C ASN A 354 25.581 21.437 62.609 1.00 30.21 C ATOM 68 O ASN A 354 24.746 22.154 62.083 1.00 28.50 O ATOM 69 CB ASN A 354 25.929 21.394 65.098 1.00 38.53 C ATOM 70 CG ASN A 354 25.007 22.377 65.742 1.00 42.87 C ATOM 71 OD1 ASN A 354 23.957 21.999 66.238 1.00 45.51 O ATOM 72 ND2 ASN A 354 25.358 23.648 65.692 1.00 46.21 N ATOM 73 HD22 ASN A 354 26.263 23.921 65.259 1.00 0.00 H ATOM 74 HD21 ASN A 354 24.729 24.377 66.086 1.00 0.00 H ATOM 75 H ASN A 354 26.345 18.930 64.521 1.00 0.00 H ATOM 76 N GLY A 355 26.756 21.200 62.053 1.00 27.74 N ATOM 77 CA GLY A 355 27.109 21.751 60.748 1.00 27.15 C ATOM 78 C GLY A 355 26.173 21.325 59.622 1.00 26.52 C ATOM 79 O GLY A 355 25.815 22.125 58.774 1.00 27.70 O ATOM 80 H GLY A 355 27.446 20.607 62.557 1.00 0.00 H ATOM 81 N ILE A 356 25.753 20.066 59.615 1.00 26.40 N ATOM 82 CA ILE A 356 24.794 19.568 58.602 1.00 26.10 C ATOM 83 C ILE A 356 23.472 20.319 58.718 1.00 25.80 C ATOM 84 O ILE A 356 22.916 20.845 57.734 1.00 24.32 O ATOM 85 CB ILE A 356 24.582 18.043 58.757 1.00 26.83 C ATOM 86 CG1 ILE A 356 25.844 17.316 58.353 1.00 27.64 C ATOM 87 CG2 ILE A 356 23.400 17.544 57.932 1.00 27.27 C ATOM 88 CD1 ILE A 356 25.775 15.816 58.548 1.00 28.48 C ATOM 89 H ILE A 356 26.107 19.411 60.341 1.00 0.00 H ATOM 90 N LEU A 357 22.954 20.380 59.932 1.00 24.81 N ATOM 91 CA LEU A 357 21.709 21.067 60.170 1.00 25.05 C ATOM 92 C LEU A 357 21.783 22.521 59.696 1.00 27.55 C ATOM 93 O LEU A 357 20.891 23.027 58.980 1.00 26.21 O ATOM 94 CB LEU A 357 21.372 20.996 61.655 1.00 26.03 C ATOM 95 CG LEU A 357 20.121 21.762 62.051 1.00 26.53 C ATOM 96 CD1 LEU A 357 18.922 21.251 61.297 1.00 26.91 C ATOM 97 CD2 LEU A 357 19.917 21.659 63.555 1.00 28.54 C ATOM 98 H LEU A 357 23.450 19.927 60.726 1.00 0.00 H ATOM 99 N LYS A 358 22.865 23.192 60.062 1.00 28.63 N ATOM 100 CA LYS A 358 23.073 24.555 59.612 1.00 30.13 C ATOM 101 C LYS A 358 23.059 24.665 58.076 1.00 29.40 C ATOM 102 O LYS A 358 22.452 25.574 57.507 1.00 27.29 O ATOM 103 CB LYS A 358 24.370 25.077 60.187 1.00 32.14 C ATOM 104 CG LYS A 358 24.561 26.547 59.957 1.00 36.91 C ATOM 105 CD LYS A 358 25.973 26.979 60.246 1.00 41.39 C ATOM 106 CE LYS A 358 26.325 28.172 59.359 1.00 45.56 C ATOM 107 NZ LYS A 358 27.274 29.076 60.069 1.00 48.45 N ATOM 108 HZ1 LYS A 358 26.833 29.420 60.946 1.00 0.00 H ATOM 109 HZ2 LYS A 358 28.143 28.553 60.299 1.00 0.00 H ATOM 110 HZ3 LYS A 358 27.506 29.883 59.456 1.00 0.00 H ATOM 111 H LYS A 358 23.571 22.738 60.677 1.00 0.00 H ATOM 112 N GLU A 359 23.729 23.744 57.397 1.00 29.21 N ATOM 113 CA GLU A 359 23.654 23.689 55.939 1.00 31.28 C ATOM 114 C GLU A 359 22.212 23.561 55.441 1.00 30.32 C ATOM 115 O GLU A 359 21.817 24.226 54.474 1.00 32.05 O ATOM 116 CB GLU A 359 24.522 22.525 55.429 1.00 35.92 C ATOM 117 CG GLU A 359 24.258 22.038 54.010 1.00 42.47 C ATOM 118 CD GLU A 359 25.258 22.539 52.988 1.00 49.97 C ATOM 119 OE1 GLU A 359 26.355 22.986 53.393 1.00 61.46 O ATOM 120 OE2 GLU A 359 24.953 22.476 51.766 1.00 53.96 O ATOM 121 H GLU A 359 24.315 23.053 57.908 1.00 0.00 H ATOM 122 N LEU A 360 21.414 22.692 56.068 1.00 28.85 N ATOM 123 CA LEU A 360 20.031 22.460 55.612 1.00 27.24 C ATOM 124 C LEU A 360 19.159 23.709 55.768 1.00 26.98 C ATOM 125 O LEU A 360 18.186 23.882 55.027 1.00 25.70 O ATOM 126 CB LEU A 360 19.380 21.264 56.323 1.00 25.90 C ATOM 127 CG LEU A 360 20.037 19.878 56.162 1.00 26.09 C ATOM 128 CD1 LEU A 360 19.252 18.815 56.891 1.00 26.09 C ATOM 129 CD2 LEU A 360 20.183 19.485 54.704 1.00 27.32 C ATOM 130 H LEU A 360 21.775 22.170 56.892 1.00 0.00 H ATOM 131 N LEU A 361 19.502 24.539 56.749 1.00 28.32 N ATOM 132 CA LEU A 361 18.753 25.753 57.080 1.00 30.02 C ATOM 133 C LEU A 361 19.319 26.988 56.373 1.00 30.57 C ATOM 134 O LEU A 361 18.712 28.041 56.439 1.00 29.14 O ATOM 135 CB LEU A 361 18.771 25.986 58.595 1.00 31.38 C ATOM 136 CG LEU A 361 17.855 25.080 59.427 1.00 32.01 C ATOM 137 CD1 LEU A 361 18.219 25.127 60.885 1.00 32.72 C ATOM 138 CD2 LEU A 361 16.414 25.505 59.298 1.00 35.01 C ATOM 139 H LEU A 361 20.347 24.314 57.311 1.00 0.00 H ATOM 140 N SER A 362 20.458 26.859 55.687 1.00 31.28 N ATOM 141 CA SER A 362 21.145 28.020 55.109 1.00 32.33 C ATOM 142 C SER A 362 20.389 28.549 53.896 1.00 32.85 C ATOM 143 O SER A 362 19.539 27.845 53.321 1.00 30.91 O ATOM 144 CB SER A 362 22.551 27.649 54.692 1.00 32.56 C ATOM 145 OG SER A 362 22.518 26.812 53.531 1.00 34.60 O ATOM 146 HG SER A 362 22.012 25.986 53.735 1.00 0.00 H ATOM 147 H SER A 362 20.868 25.912 55.559 1.00 0.00 H ATOM 148 N LYS A 363 20.708 29.786 53.516 1.00 33.77 N ATOM 149 CA LYS A 363 20.058 30.473 52.402 1.00 36.49 C ATOM 150 C LYS A 363 20.241 29.766 51.084 1.00 34.80 C ATOM 151 O LYS A 363 19.371 29.747 50.210 1.00 33.76 O ATOM 152 CB LYS A 363 20.617 31.905 52.281 1.00 41.86 C ATOM 153 CG LYS A 363 19.779 32.886 53.054 1.00 45.26 C ATOM 154 CD LYS A 363 18.451 33.073 52.327 1.00 50.38 C ATOM 155 CE LYS A 363 17.276 32.957 53.283 1.00 52.76 C ATOM 156 NZ LYS A 363 17.362 34.008 54.339 1.00 56.22 N ATOM 157 HZ1 LYS A 363 18.247 33.890 54.872 1.00 0.00 H ATOM 158 HZ2 LYS A 363 17.346 34.948 53.893 1.00 0.00 H ATOM 159 HZ3 LYS A 363 16.552 33.916 54.985 1.00 0.00 H ATOM 160 H LYS A 363 21.456 30.287 54.038 1.00 0.00 H ATOM 161 N LYS A 364 21.406 29.174 50.939 1.00 35.42 N ATOM 162 CA LYS A 364 21.737 28.445 49.742 1.00 36.59 C ATOM 163 C LYS A 364 20.655 27.440 49.322 1.00 34.10 C ATOM 164 O LYS A 364 20.492 27.203 48.153 1.00 32.84 O ATOM 165 CB LYS A 364 23.061 27.724 49.956 1.00 40.18 C ATOM 166 CG LYS A 364 23.521 27.007 48.708 1.00 46.08 C ATOM 167 CD LYS A 364 24.996 26.681 48.771 1.00 50.27 C ATOM 168 CE LYS A 364 25.289 25.730 49.908 1.00 50.67 C ATOM 169 NZ LYS A 364 26.446 24.882 49.511 1.00 54.92 N ATOM 170 HZ1 LYS A 364 26.205 24.350 48.650 1.00 0.00 H ATOM 171 HZ2 LYS A 364 27.271 25.488 49.327 1.00 0.00 H ATOM 172 HZ3 LYS A 364 26.667 24.217 50.280 1.00 0.00 H ATOM 173 H LYS A 364 22.105 29.234 51.707 1.00 0.00 H ATOM 174 N HIS A 365 19.932 26.841 50.272 1.00 32.47 N ATOM 175 CA HIS A 365 18.924 25.813 49.966 1.00 31.14 C ATOM 176 C HIS A 365 17.457 26.241 50.202 1.00 32.32 C ATOM 177 O HIS A 365 16.535 25.422 50.104 1.00 30.85 O ATOM 178 CB HIS A 365 19.214 24.585 50.822 1.00 30.20 C ATOM 179 CG HIS A 365 20.563 24.006 50.584 1.00 30.22 C ATOM 180 ND1 HIS A 365 20.985 23.596 49.334 1.00 30.34 N ATOM 181 CD2 HIS A 365 21.603 23.794 51.423 1.00 30.51 C ATOM 182 CE1 HIS A 365 22.216 23.129 49.423 1.00 30.16 C ATOM 183 NE2 HIS A 365 22.615 23.245 50.677 1.00 30.93 N ATOM 184 H HIS A 365 20.087 27.111 51.264 1.00 0.00 H ATOM 185 N ALA A 366 17.252 27.522 50.505 1.00 33.36 N ATOM 186 CA ALA A 366 15.949 28.027 50.908 1.00 32.01 C ATOM 187 C ALA A 366 14.833 27.784 49.893 1.00 31.21 C ATOM 188 O ALA A 366 13.717 27.474 50.294 1.00 31.01 O ATOM 189 CB ALA A 366 16.043 29.507 51.246 1.00 32.97 C ATOM 190 H ALA A 366 18.052 28.184 50.451 1.00 0.00 H ATOM 191 N ALA A 367 15.140 27.866 48.600 1.00 31.94 N ATOM 192 CA ALA A 367 14.140 27.661 47.542 1.00 32.81 C ATOM 193 C ALA A 367 13.430 26.298 47.602 1.00 31.61 C ATOM 194 O ALA A 367 12.265 26.191 47.216 1.00 31.29 O ATOM 195 CB ALA A 367 14.755 27.894 46.159 1.00 34.23 C ATOM 196 H ALA A 367 16.121 28.082 48.329 1.00 0.00 H ATOM 197 N TYR A 368 14.094 25.270 48.119 1.00 30.16 N ATOM 198 CA TYR A 368 13.424 23.988 48.296 1.00 29.30 C ATOM 199 C TYR A 368 13.297 23.513 49.746 1.00 27.53 C ATOM 200 O TYR A 368 12.515 22.623 50.009 1.00 26.36 O ATOM 201 CB TYR A 368 14.045 22.895 47.413 1.00 30.33 C ATOM 202 CG TYR A 368 15.548 22.889 47.401 1.00 31.28 C ATOM 203 CD1 TYR A 368 16.253 23.623 46.437 1.00 30.80 C ATOM 204 CD2 TYR A 368 16.272 22.125 48.314 1.00 29.68 C ATOM 205 CE1 TYR A 368 17.630 23.614 46.395 1.00 31.85 C ATOM 206 CE2 TYR A 368 17.651 22.119 48.275 1.00 31.13 C ATOM 207 CZ TYR A 368 18.321 22.857 47.303 1.00 32.24 C ATOM 208 OH TYR A 368 19.692 22.864 47.260 1.00 34.70 O ATOM 209 HH TYR A 368 20.046 23.220 48.113 1.00 0.00 H ATOM 210 H TYR A 368 15.090 25.380 48.397 1.00 0.00 H ATOM 211 N ALA A 369 14.047 24.100 50.680 1.00 24.71 N ATOM 212 CA ALA A 369 13.967 23.704 52.075 1.00 23.93 C ATOM 213 C ALA A 369 12.871 24.411 52.898 1.00 23.58 C ATOM 214 O ALA A 369 12.476 23.911 53.991 1.00 21.14 O ATOM 215 CB ALA A 369 15.319 23.935 52.767 1.00 24.18 C ATOM 216 H ALA A 369 14.703 24.858 50.403 1.00 0.00 H ATOM 217 N TRP A 370 12.410 25.567 52.430 1.00 23.72 N ATOM 218 CA TRP A 370 11.585 26.411 53.292 1.00 24.32 C ATOM 219 C TRP A 370 10.369 25.669 53.873 1.00 22.94 C ATOM 220 O TRP A 370 10.049 25.856 55.029 1.00 22.05 O ATOM 221 CB TRP A 370 11.234 27.776 52.629 1.00 26.35 C ATOM 222 CG TRP A 370 10.311 27.664 51.470 1.00 28.37 C ATOM 223 CD1 TRP A 370 10.648 27.619 50.163 1.00 29.21 C ATOM 224 CD2 TRP A 370 8.885 27.536 51.526 1.00 30.09 C ATOM 225 NE1 TRP A 370 9.530 27.451 49.384 1.00 31.11 N ATOM 226 CE2 TRP A 370 8.427 27.413 50.196 1.00 30.61 C ATOM 227 CE3 TRP A 370 7.952 27.508 52.571 1.00 30.37 C ATOM 228 CZ2 TRP A 370 7.066 27.279 49.871 1.00 31.00 C ATOM 229 CZ3 TRP A 370 6.592 27.376 52.248 1.00 31.80 C ATOM 230 CH2 TRP A 370 6.168 27.268 50.906 1.00 30.50 C ATOM 231 HE1 TRP A 370 9.522 27.366 48.347 1.00 0.00 H ATOM 232 H TRP A 370 12.634 25.868 51.460 1.00 0.00 H ATOM 233 N PRO A 371 9.715 24.766 53.111 1.00 22.09 N ATOM 234 CA PRO A 371 8.570 24.114 53.747 1.00 21.77 C ATOM 235 C PRO A 371 8.878 23.219 54.940 1.00 21.81 C ATOM 236 O PRO A 371 7.944 22.837 55.652 1.00 21.23 O ATOM 237 CB PRO A 371 7.987 23.261 52.639 1.00 21.66 C ATOM 238 CG PRO A 371 8.512 23.830 51.393 1.00 21.71 C ATOM 239 CD PRO A 371 9.847 24.359 51.709 1.00 22.07 C ATOM 240 N PHE A 372 10.148 22.861 55.145 1.00 22.91 N ATOM 241 CA PHE A 372 10.548 22.002 56.270 1.00 22.50 C ATOM 242 C PHE A 372 11.001 22.789 57.501 1.00 23.09 C ATOM 243 O PHE A 372 11.337 22.194 58.531 1.00 22.36 O ATOM 244 CB PHE A 372 11.616 21.004 55.792 1.00 22.66 C ATOM 245 CG PHE A 372 11.157 20.205 54.612 1.00 22.45 C ATOM 246 CD1 PHE A 372 10.301 19.147 54.788 1.00 23.18 C ATOM 247 CD2 PHE A 372 11.481 20.596 53.318 1.00 24.13 C ATOM 248 CE1 PHE A 372 9.809 18.455 53.698 1.00 23.38 C ATOM 249 CE2 PHE A 372 10.994 19.917 52.218 1.00 23.92 C ATOM 250 CZ PHE A 372 10.153 18.848 52.423 1.00 24.79 C ATOM 251 H PHE A 372 10.879 23.201 54.487 1.00 0.00 H ATOM 252 N TYR A 373 11.004 24.117 57.402 1.00 24.79 N ATOM 253 CA TYR A 373 11.529 24.966 58.467 1.00 25.37 C ATOM 254 C TYR A 373 10.710 24.867 59.744 1.00 25.63 C ATOM 255 O TYR A 373 11.269 25.025 60.817 1.00 27.53 O ATOM 256 CB TYR A 373 11.584 26.437 58.048 1.00 26.83 C ATOM 257 CG TYR A 373 12.653 26.798 57.048 1.00 28.50 C ATOM 258 CD1 TYR A 373 13.616 25.891 56.676 1.00 27.32 C ATOM 259 CD2 TYR A 373 12.698 28.079 56.474 1.00 29.31 C ATOM 260 CE1 TYR A 373 14.593 26.223 55.783 1.00 28.17 C ATOM 261 CE2 TYR A 373 13.687 28.417 55.569 1.00 28.94 C ATOM 262 CZ TYR A 373 14.645 27.480 55.252 1.00 28.77 C ATOM 263 OH TYR A 373 15.636 27.729 54.329 1.00 29.48 O ATOM 264 HH TYR A 373 16.218 26.932 54.248 1.00 0.00 H ATOM 265 H TYR A 373 10.622 24.561 56.543 1.00 0.00 H ATOM 266 N LYS A 374 9.402 24.622 59.632 1.00 25.43 N ATOM 267 CA LYS A 374 8.507 24.619 60.792 1.00 28.10 C ATOM 268 C LYS A 374 7.613 23.398 60.761 1.00 26.35 C ATOM 269 O LYS A 374 7.408 22.831 59.724 1.00 25.65 O ATOM 270 CB LYS A 374 7.573 25.849 60.783 1.00 29.97 C ATOM 271 CG LYS A 374 8.258 27.194 60.868 1.00 34.95 C ATOM 272 CD LYS A 374 8.940 27.418 62.197 1.00 39.98 C ATOM 273 CE LYS A 374 8.577 28.786 62.767 1.00 45.13 C ATOM 274 NZ LYS A 374 9.276 28.979 64.068 1.00 48.25 N ATOM 275 HZ1 LYS A 374 8.981 28.235 64.732 1.00 0.00 H ATOM 276 HZ2 LYS A 374 10.304 28.925 63.919 1.00 0.00 H ATOM 277 HZ3 LYS A 374 9.029 29.911 64.458 1.00 0.00 H ATOM 278 H LYS A 374 9.006 24.427 58.690 1.00 0.00 H ATOM 279 N PRO A 375 7.032 23.036 61.906 1.00 26.00 N ATOM 280 CA PRO A 375 6.049 21.962 61.960 1.00 26.19 C ATOM 281 C PRO A 375 4.944 22.149 60.940 1.00 26.87 C ATOM 282 O PRO A 375 4.494 23.254 60.743 1.00 27.90 O ATOM 283 CB PRO A 375 5.467 22.100 63.366 1.00 27.23 C ATOM 284 CG PRO A 375 6.562 22.717 64.169 1.00 27.10 C ATOM 285 CD PRO A 375 7.262 23.650 63.221 1.00 26.07 C ATOM 286 N VAL A 376 4.492 21.076 60.302 1.00 27.95 N ATOM 287 CA VAL A 376 3.301 21.155 59.421 1.00 28.80 C ATOM 288 C VAL A 376 2.098 21.620 60.260 1.00 30.23 C ATOM 289 O VAL A 376 1.828 21.037 61.299 1.00 30.51 O ATOM 290 CB VAL A 376 2.984 19.790 58.789 1.00 27.26 C ATOM 291 CG1 VAL A 376 1.603 19.759 58.158 1.00 27.54 C ATOM 292 CG2 VAL A 376 4.064 19.416 57.766 1.00 28.66 C ATOM 293 H VAL A 376 4.981 20.166 60.422 1.00 0.00 H ATOM 294 N ASP A 377 1.409 22.672 59.820 1.00 30.87 N ATOM 295 CA ASP A 377 0.177 23.105 60.460 1.00 31.55 C ATOM 296 C ASP A 377 -0.979 22.588 59.633 1.00 32.79 C ATOM 297 O ASP A 377 -1.302 23.168 58.585 1.00 32.08 O ATOM 298 CB ASP A 377 0.110 24.629 60.517 1.00 34.96 C ATOM 299 CG ASP A 377 -1.078 25.135 61.340 1.00 36.44 C ATOM 300 OD1 ASP A 377 -2.089 24.409 61.541 1.00 37.13 O ATOM 301 OD2 ASP A 377 -0.964 26.268 61.809 1.00 41.28 O ATOM 302 H ASP A 377 1.762 23.198 58.996 1.00 0.00 H ATOM 303 N ALA A 378 -1.585 21.501 60.105 1.00 33.16 N ATOM 304 CA ALA A 378 -2.609 20.779 59.368 1.00 34.33 C ATOM 305 C ALA A 378 -3.850 21.613 59.135 1.00 37.38 C ATOM 306 O ALA A 378 -4.426 21.573 58.050 1.00 39.38 O ATOM 307 CB ALA A 378 -2.984 19.508 60.101 1.00 34.56 C ATOM 308 H ALA A 378 -1.313 21.152 61.046 1.00 0.00 H ATOM 309 N SER A 379 -4.260 22.359 60.154 1.00 40.41 N ATOM 310 CA SER A 379 -5.469 23.172 60.092 1.00 42.75 C ATOM 311 C SER A 379 -5.324 24.304 59.112 1.00 42.80 C ATOM 312 O SER A 379 -6.181 24.496 58.240 1.00 46.36 O ATOM 313 CB SER A 379 -5.772 23.772 61.465 1.00 47.19 C ATOM 314 OG SER A 379 -6.083 22.759 62.392 1.00 47.63 O ATOM 315 HG SER A 379 -6.276 23.167 63.273 1.00 0.00 H ATOM 316 H SER A 379 -3.698 22.364 61.029 1.00 0.00 H ATOM 317 N ALA A 380 -4.246 25.061 59.268 1.00 40.85 N ATOM 318 CA ALA A 380 -3.947 26.163 58.371 1.00 39.35 C ATOM 319 C ALA A 380 -3.838 25.692 56.927 1.00 38.32 C ATOM 320 O ALA A 380 -4.361 26.329 56.026 1.00 38.53 O ATOM 321 CB ALA A 380 -2.666 26.855 58.795 1.00 39.58 C ATOM 322 H ALA A 380 -3.597 24.860 60.055 1.00 0.00 H ATOM 323 N LEU A 381 -3.157 24.580 56.681 1.00 36.82 N ATOM 324 CA LEU A 381 -3.054 24.063 55.304 1.00 35.81 C ATOM 325 C LEU A 381 -4.322 23.333 54.821 1.00 35.45 C ATOM 326 O LEU A 381 -4.414 22.952 53.653 1.00 36.77 O ATOM 327 CB LEU A 381 -1.854 23.109 55.169 1.00 37.02 C ATOM 328 CG LEU A 381 -0.455 23.690 55.348 1.00 36.05 C ATOM 329 CD1 LEU A 381 0.552 22.555 55.448 1.00 34.90 C ATOM 330 CD2 LEU A 381 -0.105 24.666 54.234 1.00 37.26 C ATOM 331 H LEU A 381 -2.695 24.072 57.462 1.00 0.00 H ATOM 332 N GLY A 382 -5.270 23.080 55.719 1.00 36.73 N ATOM 333 CA GLY A 382 -6.477 22.353 55.364 1.00 38.72 C ATOM 334 C GLY A 382 -6.221 20.916 54.953 1.00 38.37 C ATOM 335 O GLY A 382 -6.741 20.453 53.933 1.00 39.83 O ATOM 336 H GLY A 382 -5.145 23.410 56.697 1.00 0.00 H ATOM 337 N LEU A 383 -5.400 20.230 55.746 1.00 37.70 N ATOM 338 CA LEU A 383 -5.167 18.787 55.635 1.00 37.97 C ATOM 339 C LEU A 383 -5.766 18.185 56.872 1.00 41.95 C ATOM 340 O LEU A 383 -5.105 18.062 57.917 1.00 40.32 O ATOM 341 CB LEU A 383 -3.665 18.469 55.604 1.00 36.51 C ATOM 342 CG LEU A 383 -2.835 19.433 54.758 1.00 36.21 C ATOM 343 CD1 LEU A 383 -1.360 19.238 55.013 1.00 38.73 C ATOM 344 CD2 LEU A 383 -3.132 19.283 53.283 1.00 35.53 C ATOM 345 H LEU A 383 -4.893 20.750 56.490 1.00 0.00 H ATOM 346 N HIS A 384 -7.029 17.817 56.770 1.00 45.22 N ATOM 347 CA HIS A 384 -7.734 17.264 57.909 1.00 51.05 C ATOM 348 C HIS A 384 -7.059 16.017 58.489 1.00 47.73 C ATOM 349 O HIS A 384 -6.928 15.905 59.697 1.00 48.16 O ATOM 350 CB HIS A 384 -9.166 16.930 57.515 1.00 56.85 C ATOM 351 CG HIS A 384 -10.040 16.648 58.685 1.00 62.05 C ATOM 352 ND1 HIS A 384 -10.292 17.590 59.662 1.00 65.57 N ATOM 353 CD2 HIS A 384 -10.704 15.530 59.055 1.00 65.05 C ATOM 354 CE1 HIS A 384 -11.085 17.068 60.579 1.00 66.25 C ATOM 355 NE2 HIS A 384 -11.348 15.819 60.236 1.00 69.99 N ATOM 356 H HIS A 384 -7.524 17.925 55.862 1.00 0.00 H ATOM 357 N ASP A 385 -6.616 15.108 57.612 1.00 45.35 N ATOM 358 CA ASP A 385 -6.170 13.758 58.003 1.00 40.55 C ATOM 359 C ASP A 385 -4.659 13.598 58.258 1.00 39.05 C ATOM 360 O ASP A 385 -4.158 12.483 58.455 1.00 39.97 O ATOM 361 CB ASP A 385 -6.571 12.811 56.906 1.00 41.45 C ATOM 362 CG ASP A 385 -5.898 13.140 55.574 1.00 40.20 C ATOM 363 OD1 ASP A 385 -5.346 14.243 55.397 1.00 38.37 O ATOM 364 OD2 ASP A 385 -5.932 12.280 54.684 1.00 45.99 O ATOM 365 H ASP A 385 -6.585 15.367 56.605 1.00 0.00 H ATOM 366 N TYR A 386 -3.931 14.704 58.249 1.00 36.39 N ATOM 367 CA TYR A 386 -2.495 14.642 58.363 1.00 33.37 C ATOM 368 C TYR A 386 -2.077 13.865 59.615 1.00 35.21 C ATOM 369 O TYR A 386 -1.184 13.010 59.549 1.00 32.96 O ATOM 370 CB TYR A 386 -1.890 16.036 58.380 1.00 30.18 C ATOM 371 CG TYR A 386 -0.385 15.998 58.370 1.00 27.72 C ATOM 372 CD1 TYR A 386 0.301 15.837 57.178 1.00 25.44 C ATOM 373 CD2 TYR A 386 0.352 16.098 59.548 1.00 27.30 C ATOM 374 CE1 TYR A 386 1.666 15.801 57.131 1.00 25.04 C ATOM 375 CE2 TYR A 386 1.744 16.037 59.524 1.00 25.90 C ATOM 376 CZ TYR A 386 2.390 15.865 58.313 1.00 24.76 C ATOM 377 OH TYR A 386 3.754 15.809 58.227 1.00 24.65 O ATOM 378 HH TYR A 386 4.019 15.683 57.282 1.00 0.00 H ATOM 379 H TYR A 386 -4.400 15.628 58.159 1.00 0.00 H ATOM 380 N HIS A 387 -2.726 14.136 60.745 1.00 35.33 N ATOM 381 CA HIS A 387 -2.308 13.523 62.008 1.00 35.77 C ATOM 382 C HIS A 387 -2.821 12.106 62.226 1.00 39.02 C ATOM 383 O HIS A 387 -2.371 11.436 63.144 1.00 40.40 O ATOM 384 CB HIS A 387 -2.624 14.443 63.199 1.00 35.01 C ATOM 385 CG HIS A 387 -1.757 15.663 63.240 1.00 34.63 C ATOM 386 ND1 HIS A 387 -0.415 15.609 63.551 1.00 36.13 N ATOM 387 CD2 HIS A 387 -2.028 16.959 62.971 1.00 33.40 C ATOM 388 CE1 HIS A 387 0.101 16.826 63.480 1.00 35.23 C ATOM 389 NE2 HIS A 387 -0.860 17.662 63.128 1.00 33.19 N ATOM 390 H HIS A 387 -3.536 14.788 60.731 1.00 0.00 H ATOM 391 N ASP A 388 -3.722 11.631 61.375 1.00 42.03 N ATOM 392 CA ASP A 388 -4.079 10.194 61.345 1.00 46.54 C ATOM 393 C ASP A 388 -2.988 9.398 60.611 1.00 42.74 C ATOM 394 O ASP A 388 -2.530 8.346 61.060 1.00 45.01 O ATOM 395 CB ASP A 388 -5.428 10.003 60.627 1.00 50.42 C ATOM 396 CG ASP A 388 -6.515 10.947 61.158 1.00 55.52 C ATOM 397 OD1 ASP A 388 -6.528 11.192 62.382 1.00 54.62 O ATOM 398 OD2 ASP A 388 -7.341 11.450 60.357 1.00 60.81 O ATOM 399 H ASP A 388 -4.189 12.284 60.713 1.00 0.00 H ATOM 400 N ILE A 389 -2.573 9.940 59.475 1.00 38.60 N ATOM 401 CA ILE A 389 -1.562 9.330 58.617 1.00 34.48 C ATOM 402 C ILE A 389 -0.154 9.489 59.205 1.00 32.34 C ATOM 403 O ILE A 389 0.588 8.526 59.321 1.00 32.65 O ATOM 404 CB ILE A 389 -1.645 9.953 57.224 1.00 33.89 C ATOM 405 CG1 ILE A 389 -2.995 9.581 56.599 1.00 36.55 C ATOM 406 CG2 ILE A 389 -0.502 9.451 56.351 1.00 35.07 C ATOM 407 CD1 ILE A 389 -3.359 10.416 55.389 1.00 38.04 C ATOM 408 H ILE A 389 -2.989 10.846 59.180 1.00 0.00 H ATOM 409 N ILE A 390 0.211 10.707 59.585 1.00 30.59 N ATOM 410 CA ILE A 390 1.513 10.957 60.162 1.00 28.48 C ATOM 411 C ILE A 390 1.468 10.933 61.696 1.00 32.01 C ATOM 412 O ILE A 390 1.085 11.924 62.366 1.00 32.13 O ATOM 413 CB ILE A 390 2.094 12.284 59.674 1.00 25.76 C ATOM 414 CG1 ILE A 390 2.175 12.302 58.141 1.00 26.05 C ATOM 415 CG2 ILE A 390 3.424 12.574 60.359 1.00 25.00 C ATOM 416 CD1 ILE A 390 2.885 11.109 57.521 1.00 25.56 C ATOM 417 H ILE A 390 -0.453 11.498 59.465 1.00 0.00 H ATOM 418 N LYS A 391 1.921 9.821 62.253 1.00 31.20 N ATOM 419 CA LYS A 391 1.954 9.687 63.694 1.00 35.38 C ATOM 420 C LYS A 391 3.120 10.388 64.390 1.00 32.88 C ATOM 421 O LYS A 391 2.973 10.786 65.513 1.00 31.25 O ATOM 422 CB LYS A 391 1.859 8.217 64.078 1.00 39.12 C ATOM 423 CG LYS A 391 0.510 7.644 63.638 1.00 44.04 C ATOM 424 CD LYS A 391 -0.171 6.885 64.773 1.00 52.09 C ATOM 425 CE LYS A 391 -1.672 6.778 64.569 1.00 56.76 C ATOM 426 NZ LYS A 391 -1.983 6.285 63.201 1.00 58.99 N ATOM 427 HZ1 LYS A 391 -1.594 6.946 62.499 1.00 0.00 H ATOM 428 HZ2 LYS A 391 -1.557 5.346 63.067 1.00 0.00 H ATOM 429 HZ3 LYS A 391 -3.014 6.220 63.084 1.00 0.00 H ATOM 430 H LYS A 391 2.255 9.040 61.653 1.00 0.00 H ATOM 431 N HIS A 392 4.253 10.584 63.727 1.00 30.89 N ATOM 432 CA HIS A 392 5.390 11.212 64.370 1.00 29.84 C ATOM 433 C HIS A 392 5.899 12.343 63.522 1.00 28.34 C ATOM 434 O HIS A 392 6.842 12.165 62.757 1.00 26.85 O ATOM 435 CB HIS A 392 6.474 10.178 64.647 1.00 31.22 C ATOM 436 CG HIS A 392 6.030 9.119 65.596 1.00 34.50 C ATOM 437 ND1 HIS A 392 5.838 9.367 66.940 1.00 36.84 N ATOM 438 CD2 HIS A 392 5.681 7.828 65.397 1.00 35.54 C ATOM 439 CE1 HIS A 392 5.401 8.271 67.530 1.00 37.14 C ATOM 440 NE2 HIS A 392 5.302 7.321 66.617 1.00 38.27 N ATOM 441 H HIS A 392 4.326 10.283 62.734 1.00 0.00 H ATOM 442 N PRO A 393 5.269 13.524 63.643 1.00 27.46 N ATOM 443 CA PRO A 393 5.677 14.694 62.852 1.00 27.25 C ATOM 444 C PRO A 393 7.076 15.171 63.143 1.00 26.42 C ATOM 445 O PRO A 393 7.552 15.024 64.256 1.00 24.17 O ATOM 446 CB PRO A 393 4.684 15.781 63.269 1.00 28.35 C ATOM 447 CG PRO A 393 3.497 15.027 63.759 1.00 30.09 C ATOM 448 CD PRO A 393 4.054 13.796 64.433 1.00 29.15 C ATOM 449 N MET A 394 7.715 15.812 62.165 1.00 24.65 N ATOM 450 CA MET A 394 9.069 16.306 62.386 1.00 23.25 C ATOM 451 C MET A 394 9.378 17.393 61.356 1.00 22.77 C ATOM 452 O MET A 394 8.856 17.365 60.258 1.00 21.07 O ATOM 453 CB MET A 394 10.055 15.128 62.283 1.00 23.35 C ATOM 454 CG MET A 394 11.503 15.440 62.621 1.00 24.46 C ATOM 455 SD MET A 394 11.790 16.137 64.268 1.00 25.42 S ATOM 456 CE MET A 394 11.004 14.891 65.293 1.00 24.88 C ATOM 457 H MET A 394 7.249 15.959 61.247 1.00 0.00 H ATOM 458 N ASP A 395 10.241 18.334 61.725 1.00 22.63 N ATOM 459 CA ASP A 395 10.614 19.446 60.873 1.00 23.92 C ATOM 460 C ASP A 395 11.945 19.968 61.394 1.00 22.96 C ATOM 461 O ASP A 395 12.366 19.595 62.499 1.00 22.39 O ATOM 462 CB ASP A 395 9.577 20.558 61.012 1.00 27.51 C ATOM 463 CG ASP A 395 9.595 21.172 62.394 1.00 30.61 C ATOM 464 OD1 ASP A 395 8.971 20.587 63.320 1.00 32.76 O ATOM 465 OD2 ASP A 395 10.290 22.225 62.571 1.00 35.26 O ATOM 466 H ASP A 395 10.669 18.269 62.670 1.00 0.00 H ATOM 467 N LEU A 396 12.582 20.865 60.652 1.00 22.46 N ATOM 468 CA LEU A 396 13.926 21.278 60.993 1.00 23.00 C ATOM 469 C LEU A 396 14.047 22.067 62.295 1.00 23.69 C ATOM 470 O LEU A 396 15.059 21.914 63.001 1.00 22.43 O ATOM 471 CB LEU A 396 14.606 22.011 59.835 1.00 23.83 C ATOM 472 CG LEU A 396 14.852 21.104 58.609 1.00 25.08 C ATOM 473 CD1 LEU A 396 15.226 21.892 57.378 1.00 25.82 C ATOM 474 CD2 LEU A 396 15.895 20.037 58.882 1.00 26.71 C ATOM 475 H LEU A 396 12.112 21.274 59.819 1.00 0.00 H ATOM 476 N SER A 397 13.042 22.866 62.643 1.00 23.25 N ATOM 477 CA SER A 397 13.100 23.656 63.871 1.00 25.29 C ATOM 478 C SER A 397 13.008 22.751 65.097 1.00 25.97 C ATOM 479 O SER A 397 13.633 23.026 66.129 1.00 26.38 O ATOM 480 CB SER A 397 11.997 24.712 63.918 1.00 25.56 C ATOM 481 OG SER A 397 10.756 24.046 64.028 1.00 26.92 O ATOM 482 HG SER A 397 10.630 23.455 63.244 1.00 0.00 H ATOM 483 H SER A 397 12.203 22.929 62.032 1.00 0.00 H ATOM 484 N THR A 398 12.239 21.674 64.990 1.00 24.42 N ATOM 485 CA THR A 398 12.245 20.647 66.025 1.00 25.35 C ATOM 486 C THR A 398 13.622 19.923 66.131 1.00 23.92 C ATOM 487 O THR A 398 14.137 19.737 67.225 1.00 22.37 O ATOM 488 CB THR A 398 11.139 19.611 65.761 1.00 26.48 C ATOM 489 OG1 THR A 398 9.908 20.297 65.590 1.00 26.04 O ATOM 490 CG2 THR A 398 11.001 18.604 66.896 1.00 27.02 C ATOM 491 HG1 THR A 398 9.981 20.917 64.821 1.00 0.00 H ATOM 492 H THR A 398 11.625 21.562 64.158 1.00 0.00 H ATOM 493 N VAL A 399 14.227 19.546 65.007 1.00 22.73 N ATOM 494 CA VAL A 399 15.570 18.956 65.033 1.00 22.61 C ATOM 495 C VAL A 399 16.565 19.907 65.718 1.00 23.44 C ATOM 496 O VAL A 399 17.401 19.486 66.543 1.00 21.65 O ATOM 497 CB VAL A 399 16.070 18.587 63.611 1.00 23.26 C ATOM 498 CG1 VAL A 399 17.529 18.111 63.659 1.00 23.46 C ATOM 499 CG2 VAL A 399 15.184 17.501 63.016 1.00 24.12 C ATOM 500 H VAL A 399 13.740 19.672 64.097 1.00 0.00 H ATOM 501 N LYS A 400 16.463 21.185 65.372 1.00 23.20 N ATOM 502 CA LYS A 400 17.288 22.232 65.944 1.00 27.17 C ATOM 503 C LYS A 400 17.117 22.343 67.458 1.00 26.61 C ATOM 504 O LYS A 400 18.102 22.354 68.171 1.00 26.72 O ATOM 505 CB LYS A 400 16.943 23.553 65.256 1.00 30.82 C ATOM 506 CG LYS A 400 17.692 24.784 65.709 1.00 35.25 C ATOM 507 CD LYS A 400 19.122 24.752 65.233 1.00 40.49 C ATOM 508 CE LYS A 400 19.911 25.935 65.776 1.00 46.91 C ATOM 509 NZ LYS A 400 19.135 27.195 65.599 1.00 49.23 N ATOM 510 HZ1 LYS A 400 18.947 27.346 64.587 1.00 0.00 H ATOM 511 HZ2 LYS A 400 18.234 27.121 66.113 1.00 0.00 H ATOM 512 HZ3 LYS A 400 19.684 27.995 65.974 1.00 0.00 H ATOM 513 H LYS A 400 15.757 21.448 64.655 1.00 0.00 H ATOM 514 N ARG A 401 15.879 22.414 67.942 1.00 28.16 N ATOM 515 CA ARG A 401 15.623 22.399 69.394 1.00 30.17 C ATOM 516 C ARG A 401 16.234 21.178 70.077 1.00 30.72 C ATOM 517 O ARG A 401 16.900 21.295 71.092 1.00 28.10 O ATOM 518 CB ARG A 401 14.142 22.411 69.680 1.00 32.80 C ATOM 519 CG ARG A 401 13.829 22.384 71.179 1.00 39.70 C ATOM 520 CD ARG A 401 12.333 22.409 71.430 1.00 43.94 C ATOM 521 NE ARG A 401 11.731 23.269 70.421 1.00 49.95 N ATOM 522 CZ ARG A 401 10.868 22.889 69.478 1.00 54.39 C ATOM 523 NH1 ARG A 401 10.388 21.644 69.414 1.00 56.35 N ATOM 524 NH2 ARG A 401 10.461 23.786 68.592 1.00 56.10 N ATOM 525 HE ARG A 401 11.999 24.274 70.437 1.00 0.00 H ATOM 526 HH12 ARG A 401 9.716 21.384 68.664 1.00 0.00 H ATOM 527 HH11 ARG A 401 10.686 20.935 70.114 1.00 0.00 H ATOM 528 HH22 ARG A 401 9.788 23.513 67.847 1.00 0.00 H ATOM 529 HH21 ARG A 401 10.814 24.763 68.641 1.00 0.00 H ATOM 530 H ARG A 401 15.077 22.481 67.283 1.00 0.00 H ATOM 531 N LYS A 402 15.986 19.994 69.521 1.00 29.01 N ATOM 532 CA LYS A 402 16.493 18.773 70.117 1.00 28.90 C ATOM 533 C LYS A 402 18.016 18.741 70.156 1.00 30.82 C ATOM 534 O LYS A 402 18.607 18.279 71.142 1.00 31.09 O ATOM 535 CB LYS A 402 15.913 17.535 69.425 1.00 29.05 C ATOM 536 CG LYS A 402 14.444 17.346 69.790 1.00 28.81 C ATOM 537 CD LYS A 402 13.790 16.201 69.061 1.00 29.87 C ATOM 538 CE LYS A 402 14.497 14.877 69.301 1.00 29.69 C ATOM 539 NZ LYS A 402 13.763 13.785 68.604 1.00 29.14 N ATOM 540 HZ1 LYS A 402 12.792 13.731 68.973 1.00 0.00 H ATOM 541 HZ2 LYS A 402 13.737 13.983 67.583 1.00 0.00 H ATOM 542 HZ3 LYS A 402 14.249 12.881 68.770 1.00 0.00 H ATOM 543 H LYS A 402 15.422 19.944 68.649 1.00 0.00 H ATOM 544 N MET A 403 18.648 19.234 69.100 1.00 30.28 N ATOM 545 CA MET A 403 20.087 19.413 69.091 1.00 35.14 C ATOM 546 C MET A 403 20.559 20.340 70.228 1.00 33.24 C ATOM 547 O MET A 403 21.467 19.989 70.974 1.00 30.97 O ATOM 548 CB MET A 403 20.540 19.980 67.742 1.00 38.52 C ATOM 549 CG MET A 403 22.028 19.891 67.516 1.00 42.55 C ATOM 550 SD MET A 403 22.586 18.216 67.092 1.00 50.26 S ATOM 551 CE MET A 403 21.995 18.156 65.413 1.00 48.24 C ATOM 552 H MET A 403 18.098 19.499 68.258 1.00 0.00 H ATOM 553 N GLU A 404 19.944 21.514 70.342 1.00 34.44 N ATOM 554 CA GLU A 404 20.307 22.499 71.386 1.00 36.42 C ATOM 555 C GLU A 404 20.150 21.970 72.796 1.00 36.72 C ATOM 556 O GLU A 404 20.982 22.229 73.652 1.00 36.87 O ATOM 557 CB GLU A 404 19.487 23.768 71.229 1.00 38.80 C ATOM 558 CG GLU A 404 20.116 24.683 70.191 1.00 42.30 C ATOM 559 CD GLU A 404 19.136 25.620 69.508 1.00 46.63 C ATOM 560 OE1 GLU A 404 17.899 25.528 69.732 1.00 50.23 O ATOM 561 OE2 GLU A 404 19.622 26.464 68.731 1.00 50.23 O ATOM 562 H GLU A 404 19.182 21.748 69.674 1.00 0.00 H ATOM 563 N ASN A 405 19.105 21.189 73.020 1.00 34.83 N ATOM 564 CA ASN A 405 18.895 20.544 74.309 1.00 36.41 C ATOM 565 C ASN A 405 19.639 19.244 74.487 1.00 33.59 C ATOM 566 O ASN A 405 19.439 18.566 75.470 1.00 35.52 O ATOM 567 CB ASN A 405 17.402 20.360 74.523 1.00 38.86 C ATOM 568 CG ASN A 405 16.683 21.695 74.499 1.00 45.62 C ATOM 569 OD1 ASN A 405 17.276 22.733 74.831 1.00 51.38 O ATOM 570 ND2 ASN A 405 15.428 21.695 74.103 1.00 50.61 N ATOM 571 HD22 ASN A 405 14.968 20.802 73.833 1.00 0.00 H ATOM 572 HD21 ASN A 405 14.896 22.588 74.060 1.00 0.00 H ATOM 573 H ASN A 405 18.417 21.032 72.256 1.00 0.00 H ATOM 574 N ARG A 406 20.508 18.890 73.548 1.00 31.19 N ATOM 575 CA ARG A 406 21.285 17.666 73.654 1.00 32.98 C ATOM 576 C ARG A 406 20.432 16.394 73.802 1.00 31.56 C ATOM 577 O ARG A 406 20.813 15.474 74.506 1.00 27.61 O ATOM 578 CB ARG A 406 22.288 17.784 74.822 1.00 37.42 C ATOM 579 CG ARG A 406 23.237 18.960 74.636 1.00 40.22 C ATOM 580 CD ARG A 406 24.388 18.874 75.612 1.00 46.04 C ATOM 581 NE ARG A 406 23.898 19.050 76.979 1.00 49.37 N ATOM 582 CZ ARG A 406 23.670 20.230 77.570 1.00 54.62 C ATOM 583 NH1 ARG A 406 23.901 21.377 76.929 1.00 54.80 N ATOM 584 NH2 ARG A 406 23.240 20.267 78.833 1.00 58.11 N ATOM 585 HE ARG A 406 23.712 18.191 77.536 1.00 0.00 H ATOM 586 HH12 ARG A 406 23.718 22.284 77.404 1.00 0.00 H ATOM 587 HH11 ARG A 406 24.264 21.364 75.954 1.00 0.00 H ATOM 588 HH22 ARG A 406 23.062 21.182 79.295 1.00 0.00 H ATOM 589 HH21 ARG A 406 23.083 19.381 79.355 1.00 0.00 H ATOM 590 H ARG A 406 20.636 19.503 72.717 1.00 0.00 H ATOM 591 N ASP A 407 19.289 16.348 73.118 1.00 31.17 N ATOM 592 CA ASP A 407 18.451 15.154 73.105 1.00 31.67 C ATOM 593 C ASP A 407 19.009 14.070 72.192 1.00 30.07 C ATOM 594 O ASP A 407 18.566 12.954 72.299 1.00 31.23 O ATOM 595 CB ASP A 407 17.020 15.469 72.651 1.00 33.06 C ATOM 596 CG ASP A 407 16.242 16.391 73.638 1.00 35.56 C ATOM 597 OD1 ASP A 407 16.641 16.600 74.792 1.00 38.50 O ATOM 598 OD2 ASP A 407 15.184 16.905 73.241 1.00 38.49 O ATOM 599 H ASP A 407 18.987 17.185 72.580 1.00 0.00 H ATOM 600 N TYR A 408 19.978 14.350 71.314 1.00 27.82 N ATOM 601 CA TYR A 408 20.535 13.269 70.477 1.00 26.61 C ATOM 602 C TYR A 408 21.779 12.622 71.147 1.00 28.56 C ATOM 603 O TYR A 408 22.735 13.305 71.501 1.00 30.23 O ATOM 604 CB TYR A 408 20.855 13.756 69.062 1.00 25.25 C ATOM 605 CG TYR A 408 19.632 14.273 68.300 1.00 23.75 C ATOM 606 CD1 TYR A 408 18.568 13.431 68.022 1.00 23.62 C ATOM 607 CD2 TYR A 408 19.550 15.597 67.856 1.00 23.13 C ATOM 608 CE1 TYR A 408 17.450 13.892 67.328 1.00 23.28 C ATOM 609 CE2 TYR A 408 18.432 16.059 67.144 1.00 22.18 C ATOM 610 CZ TYR A 408 17.387 15.204 66.892 1.00 22.74 C ATOM 611 OH TYR A 408 16.247 15.629 66.215 1.00 24.41 O ATOM 612 HH TYR A 408 15.613 14.873 66.132 1.00 0.00 H ATOM 613 H TYR A 408 20.336 15.322 71.222 1.00 0.00 H ATOM 614 N ARG A 409 21.757 11.314 71.336 1.00 27.13 N ATOM 615 CA ARG A 409 22.896 10.630 71.924 1.00 29.02 C ATOM 616 C ARG A 409 23.960 10.313 70.896 1.00 29.76 C ATOM 617 O ARG A 409 25.091 10.070 71.262 1.00 30.25 O ATOM 618 CB ARG A 409 22.448 9.353 72.618 1.00 30.50 C ATOM 619 CG ARG A 409 21.727 9.693 73.921 1.00 31.07 C ATOM 620 CD ARG A 409 21.039 8.484 74.523 1.00 32.03 C ATOM 621 NE ARG A 409 20.338 8.862 75.746 1.00 31.39 N ATOM 622 CZ ARG A 409 19.478 8.096 76.392 1.00 33.02 C ATOM 623 NH1 ARG A 409 19.177 6.882 75.946 1.00 32.95 N ATOM 624 NH2 ARG A 409 18.903 8.544 77.491 1.00 32.89 N ATOM 625 HE ARG A 409 20.530 9.806 76.138 1.00 0.00 H ATOM 626 HH12 ARG A 409 18.498 6.291 76.466 1.00 0.00 H ATOM 627 HH11 ARG A 409 19.621 6.523 75.077 1.00 0.00 H ATOM 628 HH22 ARG A 409 18.225 7.945 78.004 1.00 0.00 H ATOM 629 HH21 ARG A 409 19.128 9.496 77.845 1.00 0.00 H ATOM 630 H ARG A 409 20.915 10.769 71.061 1.00 0.00 H ATOM 631 N ASP A 410 23.619 10.328 69.614 1.00 27.10 N ATOM 632 CA ASP A 410 24.622 10.094 68.596 1.00 28.25 C ATOM 633 C ASP A 410 24.107 10.522 67.234 1.00 26.40 C ATOM 634 O ASP A 410 22.947 10.936 67.102 1.00 26.54 O ATOM 635 CB ASP A 410 25.048 8.631 68.576 1.00 29.60 C ATOM 636 CG ASP A 410 23.874 7.695 68.360 1.00 32.54 C ATOM 637 OD1 ASP A 410 22.868 8.095 67.699 1.00 33.17 O ATOM 638 OD2 ASP A 410 23.954 6.547 68.854 1.00 37.68 O ATOM 639 H ASP A 410 22.632 10.508 69.340 1.00 0.00 H ATOM 640 N ALA A 411 25.006 10.467 66.247 1.00 25.05 N ATOM 641 CA ALA A 411 24.722 10.901 64.886 1.00 25.66 C ATOM 642 C ALA A 411 23.526 10.122 64.326 1.00 24.21 C ATOM 643 O ALA A 411 22.669 10.679 63.644 1.00 23.93 O ATOM 644 CB ALA A 411 25.963 10.701 63.998 1.00 25.65 C ATOM 645 H ALA A 411 25.954 10.097 66.461 1.00 0.00 H ATOM 646 N GLN A 412 23.453 8.844 64.645 1.00 23.45 N ATOM 647 CA GLN A 412 22.402 7.988 64.086 1.00 25.83 C ATOM 648 C GLN A 412 21.018 8.486 64.494 1.00 23.89 C ATOM 649 O GLN A 412 20.096 8.488 63.674 1.00 22.09 O ATOM 650 CB GLN A 412 22.622 6.529 64.458 1.00 30.58 C ATOM 651 CG GLN A 412 23.956 5.976 63.925 1.00 34.88 C ATOM 652 CD GLN A 412 25.213 6.577 64.611 1.00 41.45 C ATOM 653 OE1 GLN A 412 25.235 6.805 65.810 1.00 42.85 O ATOM 654 NE2 GLN A 412 26.255 6.856 63.822 1.00 48.41 N ATOM 655 HE22 GLN A 412 26.206 6.650 62.804 1.00 0.00 H ATOM 656 HE21 GLN A 412 27.115 7.279 64.226 1.00 0.00 H ATOM 657 H GLN A 412 24.150 8.438 65.302 1.00 0.00 H ATOM 658 N GLU A 413 20.867 8.956 65.734 1.00 22.81 N ATOM 659 CA GLU A 413 19.557 9.440 66.184 1.00 22.39 C ATOM 660 C GLU A 413 19.164 10.723 65.462 1.00 21.11 C ATOM 661 O GLU A 413 17.989 10.962 65.152 1.00 21.13 O ATOM 662 CB GLU A 413 19.548 9.683 67.686 1.00 24.21 C ATOM 663 CG GLU A 413 19.687 8.421 68.499 1.00 26.25 C ATOM 664 CD GLU A 413 19.449 8.665 69.969 1.00 27.81 C ATOM 665 OE1 GLU A 413 19.596 9.823 70.458 1.00 27.21 O ATOM 666 OE2 GLU A 413 19.093 7.691 70.637 1.00 28.25 O ATOM 667 H GLU A 413 21.680 8.979 66.383 1.00 0.00 H ATOM 668 N PHE A 414 20.160 11.566 65.222 1.00 20.80 N ATOM 669 CA PHE A 414 19.974 12.780 64.455 1.00 21.72 C ATOM 670 C PHE A 414 19.509 12.497 63.026 1.00 21.03 C ATOM 671 O PHE A 414 18.572 13.116 62.528 1.00 19.04 O ATOM 672 CB PHE A 414 21.274 13.598 64.459 1.00 22.25 C ATOM 673 CG PHE A 414 21.318 14.660 63.427 1.00 21.23 C ATOM 674 CD1 PHE A 414 20.685 15.852 63.636 1.00 23.13 C ATOM 675 CD2 PHE A 414 22.038 14.477 62.259 1.00 22.76 C ATOM 676 CE1 PHE A 414 20.735 16.861 62.692 1.00 22.72 C ATOM 677 CE2 PHE A 414 22.110 15.475 61.307 1.00 22.47 C ATOM 678 CZ PHE A 414 21.422 16.668 61.507 1.00 22.61 C ATOM 679 H PHE A 414 21.105 11.348 65.597 1.00 0.00 H ATOM 680 N ALA A 415 20.186 11.557 62.378 1.00 20.67 N ATOM 681 CA ALA A 415 19.827 11.120 61.034 1.00 20.60 C ATOM 682 C ALA A 415 18.442 10.530 60.980 1.00 20.12 C ATOM 683 O ALA A 415 17.707 10.748 59.992 1.00 18.42 O ATOM 684 CB ALA A 415 20.839 10.073 60.556 1.00 21.60 C ATOM 685 H ALA A 415 21.003 11.116 62.846 1.00 0.00 H ATOM 686 N ALA A 416 18.073 9.758 62.012 1.00 19.24 N ATOM 687 CA ALA A 416 16.741 9.151 62.028 1.00 19.88 C ATOM 688 C ALA A 416 15.629 10.223 62.065 1.00 20.78 C ATOM 689 O ALA A 416 14.614 10.046 61.417 1.00 20.18 O ATOM 690 CB ALA A 416 16.546 8.176 63.177 1.00 21.96 C ATOM 691 H ALA A 416 18.732 9.591 62.799 1.00 0.00 H ATOM 692 N ASP A 417 15.819 11.303 62.808 1.00 20.37 N ATOM 693 CA ASP A 417 14.844 12.392 62.814 1.00 21.95 C ATOM 694 C ASP A 417 14.773 13.162 61.485 1.00 20.43 C ATOM 695 O ASP A 417 13.697 13.500 61.023 1.00 20.46 O ATOM 696 CB ASP A 417 15.125 13.374 63.941 1.00 22.59 C ATOM 697 CG ASP A 417 14.303 13.075 65.168 1.00 25.22 C ATOM 698 OD1 ASP A 417 13.524 12.091 65.129 1.00 24.23 O ATOM 699 OD2 ASP A 417 14.410 13.831 66.144 1.00 24.55 O ATOM 700 H ASP A 417 16.674 11.377 63.395 1.00 0.00 H ATOM 701 N VAL A 418 15.918 13.426 60.874 1.00 20.42 N ATOM 702 CA VAL A 418 15.909 14.094 59.593 1.00 19.48 C ATOM 703 C VAL A 418 15.229 13.210 58.561 1.00 18.94 C ATOM 704 O VAL A 418 14.416 13.699 57.769 1.00 18.34 O ATOM 705 CB VAL A 418 17.300 14.495 59.129 1.00 20.19 C ATOM 706 CG1 VAL A 418 17.253 15.112 57.727 1.00 21.01 C ATOM 707 CG2 VAL A 418 17.918 15.460 60.119 1.00 21.18 C ATOM 708 H VAL A 418 16.820 13.154 61.315 1.00 0.00 H ATOM 709 N ARG A 419 15.576 11.924 58.533 1.00 18.80 N ATOM 710 CA ARG A 419 14.904 10.995 57.625 1.00 18.81 C ATOM 711 C ARG A 419 13.447 10.822 57.896 1.00 18.76 C ATOM 712 O ARG A 419 12.699 10.661 56.951 1.00 19.66 O ATOM 713 CB ARG A 419 15.563 9.627 57.621 1.00 20.09 C ATOM 714 CG ARG A 419 16.856 9.659 56.853 1.00 20.60 C ATOM 715 CD ARG A 419 17.595 8.410 57.086 1.00 22.57 C ATOM 716 NE ARG A 419 18.846 8.418 56.372 1.00 23.61 N ATOM 717 CZ ARG A 419 19.935 7.805 56.805 1.00 25.21 C ATOM 718 NH1 ARG A 419 19.904 7.094 57.931 1.00 25.11 N ATOM 719 NH2 ARG A 419 21.046 7.891 56.092 1.00 26.75 N ATOM 720 HE ARG A 419 18.895 8.932 55.469 1.00 0.00 H ATOM 721 HH12 ARG A 419 20.763 6.614 58.267 1.00 0.00 H ATOM 722 HH11 ARG A 419 19.020 7.019 58.474 1.00 0.00 H ATOM 723 HH22 ARG A 419 21.911 7.415 56.418 1.00 0.00 H ATOM 724 HH21 ARG A 419 21.054 8.435 55.205 1.00 0.00 H ATOM 725 H ARG A 419 16.330 11.578 59.161 1.00 0.00 H ATOM 726 N LEU A 420 13.040 10.821 59.166 1.00 18.01 N ATOM 727 CA LEU A 420 11.626 10.822 59.517 1.00 18.31 C ATOM 728 C LEU A 420 10.872 12.009 58.856 1.00 17.85 C ATOM 729 O LEU A 420 9.799 11.838 58.306 1.00 15.72 O ATOM 730 CB LEU A 420 11.450 10.889 61.041 1.00 18.94 C ATOM 731 CG LEU A 420 10.028 11.042 61.614 1.00 19.14 C ATOM 732 CD1 LEU A 420 9.118 9.888 61.203 1.00 19.00 C ATOM 733 CD2 LEU A 420 10.137 11.130 63.137 1.00 19.99 C ATOM 734 H LEU A 420 13.750 10.819 59.926 1.00 0.00 H ATOM 735 N MET A 421 11.473 13.192 58.888 1.00 17.82 N ATOM 736 CA MET A 421 10.870 14.385 58.277 1.00 19.28 C ATOM 737 C MET A 421 10.564 14.176 56.772 1.00 19.69 C ATOM 738 O MET A 421 9.454 14.457 56.283 1.00 20.47 O ATOM 739 CB MET A 421 11.844 15.543 58.445 1.00 19.28 C ATOM 740 CG MET A 421 11.319 16.858 57.935 1.00 21.36 C ATOM 741 SD MET A 421 12.609 18.095 58.124 1.00 21.71 S ATOM 742 CE MET A 421 13.694 17.763 56.746 1.00 21.15 C ATOM 743 H MET A 421 12.397 13.277 59.359 1.00 0.00 H ATOM 744 N PHE A 422 11.554 13.659 56.046 1.00 18.98 N ATOM 745 CA PHE A 422 11.398 13.349 54.639 1.00 18.49 C ATOM 746 C PHE A 422 10.421 12.213 54.416 1.00 19.06 C ATOM 747 O PHE A 422 9.574 12.301 53.514 1.00 18.93 O ATOM 748 CB PHE A 422 12.758 13.008 54.003 1.00 18.84 C ATOM 749 CG PHE A 422 13.733 14.140 54.026 1.00 18.61 C ATOM 750 CD1 PHE A 422 13.371 15.372 53.513 1.00 19.29 C ATOM 751 CD2 PHE A 422 15.028 13.960 54.498 1.00 18.56 C ATOM 752 CE1 PHE A 422 14.257 16.437 53.547 1.00 20.09 C ATOM 753 CE2 PHE A 422 15.929 15.020 54.520 1.00 19.40 C ATOM 754 CZ PHE A 422 15.534 16.262 54.064 1.00 19.98 C ATOM 755 H PHE A 422 12.469 13.472 56.504 1.00 0.00 H ATOM 756 N SER A 423 10.545 11.120 55.192 1.00 19.49 N ATOM 757 CA SER A 423 9.603 10.001 55.089 1.00 21.02 C ATOM 758 C SER A 423 8.166 10.426 55.319 1.00 20.09 C ATOM 759 O SER A 423 7.268 9.958 54.611 1.00 18.70 O ATOM 760 CB SER A 423 9.897 8.885 56.081 1.00 23.36 C ATOM 761 OG SER A 423 11.071 8.224 55.731 1.00 29.38 O ATOM 762 HG SER A 423 11.249 7.502 56.384 1.00 0.00 H ATOM 763 H SER A 423 11.325 11.068 55.878 1.00 0.00 H ATOM 764 N ASN A 424 7.922 11.270 56.316 1.00 20.00 N ATOM 765 CA ASN A 424 6.535 11.791 56.515 1.00 20.87 C ATOM 766 C ASN A 424 5.995 12.494 55.283 1.00 20.26 C ATOM 767 O ASN A 424 4.849 12.359 54.923 1.00 21.36 O ATOM 768 CB ASN A 424 6.461 12.753 57.698 1.00 21.32 C ATOM 769 CG ASN A 424 6.679 12.069 59.037 1.00 21.67 C ATOM 770 OD1 ASN A 424 6.492 10.860 59.174 1.00 21.64 O ATOM 771 ND2 ASN A 424 7.067 12.851 60.040 1.00 21.73 N ATOM 772 HD22 ASN A 424 7.213 13.868 59.880 1.00 0.00 H ATOM 773 HD21 ASN A 424 7.224 12.446 60.985 1.00 0.00 H ATOM 774 H ASN A 424 8.690 11.566 56.952 1.00 0.00 H ATOM 775 N CYS A 425 6.838 13.293 54.662 1.00 20.74 N ATOM 776 CA CYS A 425 6.475 14.018 53.472 1.00 20.94 C ATOM 777 C CYS A 425 6.140 13.079 52.293 1.00 20.14 C ATOM 778 O CYS A 425 5.158 13.276 51.579 1.00 18.03 O ATOM 779 CB CYS A 425 7.645 14.934 53.101 1.00 22.76 C ATOM 780 SG CYS A 425 7.348 15.932 51.630 1.00 24.32 S ATOM 781 H CYS A 425 7.799 13.404 55.044 1.00 0.00 H ATOM 782 N TYR A 426 6.983 12.071 52.074 1.00 19.13 N ATOM 783 CA TYR A 426 6.744 11.107 51.021 1.00 19.47 C ATOM 784 C TYR A 426 5.513 10.265 51.332 1.00 20.26 C ATOM 785 O TYR A 426 4.759 9.878 50.422 1.00 19.09 O ATOM 786 CB TYR A 426 7.938 10.131 50.840 1.00 19.23 C ATOM 787 CG TYR A 426 9.249 10.779 50.582 1.00 20.00 C ATOM 788 CD1 TYR A 426 9.343 11.914 49.818 1.00 20.12 C ATOM 789 CD2 TYR A 426 10.423 10.253 51.117 1.00 20.42 C ATOM 790 CE1 TYR A 426 10.562 12.505 49.582 1.00 21.02 C ATOM 791 CE2 TYR A 426 11.635 10.868 50.892 1.00 19.81 C ATOM 792 CZ TYR A 426 11.690 11.990 50.129 1.00 20.33 C ATOM 793 OH TYR A 426 12.901 12.618 49.907 1.00 21.34 O ATOM 794 HH TYR A 426 13.290 12.898 50.773 1.00 0.00 H ATOM 795 H TYR A 426 7.829 11.975 52.671 1.00 0.00 H ATOM 796 N LYS A 427 5.324 9.967 52.619 1.00 21.23 N ATOM 797 CA LYS A 427 4.163 9.185 53.060 1.00 22.90 C ATOM 798 C LYS A 427 2.847 9.942 52.844 1.00 23.25 C ATOM 799 O LYS A 427 1.878 9.385 52.333 1.00 22.01 O ATOM 800 CB LYS A 427 4.298 8.784 54.528 1.00 23.95 C ATOM 801 CG LYS A 427 3.016 8.168 55.058 1.00 28.30 C ATOM 802 CD LYS A 427 3.153 7.422 56.367 1.00 30.97 C ATOM 803 CE LYS A 427 1.936 6.505 56.430 1.00 36.94 C ATOM 804 NZ LYS A 427 1.580 6.041 57.785 1.00 41.49 N ATOM 805 HZ1 LYS A 427 2.378 5.510 58.189 1.00 0.00 H ATOM 806 HZ2 LYS A 427 1.369 6.862 58.387 1.00 0.00 H ATOM 807 HZ3 LYS A 427 0.744 5.425 57.731 1.00 0.00 H ATOM 808 H LYS A 427 6.014 10.296 53.324 1.00 0.00 H ATOM 809 N TYR A 428 2.799 11.209 53.247 1.00 23.45 N ATOM 810 CA TYR A 428 1.538 11.954 53.168 1.00 24.28 C ATOM 811 C TYR A 428 1.161 12.365 51.732 1.00 23.29 C ATOM 812 O TYR A 428 0.032 12.285 51.339 1.00 24.12 O ATOM 813 CB TYR A 428 1.571 13.213 54.054 1.00 24.77 C ATOM 814 CG TYR A 428 0.202 13.866 54.058 1.00 27.10 C ATOM 815 CD1 TYR A 428 -0.837 13.318 54.799 1.00 28.28 C ATOM 816 CD2 TYR A 428 -0.086 14.937 53.217 1.00 27.24 C ATOM 817 CE1 TYR A 428 -2.110 13.855 54.743 1.00 29.93 C ATOM 818 CE2 TYR A 428 -1.358 15.485 53.153 1.00 29.04 C ATOM 819 CZ TYR A 428 -2.360 14.940 53.925 1.00 30.94 C ATOM 820 OH TYR A 428 -3.619 15.489 53.911 1.00 34.17 O ATOM 821 HH TYR A 428 -4.208 14.976 54.519 1.00 0.00 H ATOM 822 H TYR A 428 3.654 11.670 53.617 1.00 0.00 H ATOM 823 N ASN A 429 2.116 12.855 50.973 1.00 23.80 N ATOM 824 CA ASN A 429 1.843 13.590 49.733 1.00 22.96 C ATOM 825 C ASN A 429 1.912 12.696 48.541 1.00 24.32 C ATOM 826 O ASN A 429 2.697 11.750 48.539 1.00 23.22 O ATOM 827 CB ASN A 429 2.880 14.698 49.573 1.00 21.87 C ATOM 828 CG ASN A 429 2.794 15.712 50.687 1.00 23.20 C ATOM 829 OD1 ASN A 429 1.873 16.536 50.726 1.00 23.53 O ATOM 830 ND2 ASN A 429 3.718 15.638 51.621 1.00 21.57 N ATOM 831 HD22 ASN A 429 4.475 14.929 51.548 1.00 0.00 H ATOM 832 HD21 ASN A 429 3.691 16.289 52.432 1.00 0.00 H ATOM 833 H ASN A 429 3.105 12.716 51.263 1.00 0.00 H ATOM 834 N PRO A 430 1.132 13.003 47.494 1.00 27.18 N ATOM 835 CA PRO A 430 1.323 12.209 46.272 1.00 30.05 C ATOM 836 C PRO A 430 2.705 12.393 45.674 1.00 31.81 C ATOM 837 O PRO A 430 3.342 13.438 45.896 1.00 30.54 O ATOM 838 CB PRO A 430 0.242 12.710 45.302 1.00 31.06 C ATOM 839 CG PRO A 430 -0.483 13.812 45.990 1.00 30.70 C ATOM 840 CD PRO A 430 0.006 13.943 47.414 1.00 28.88 C ATOM 841 N PRO A 431 3.181 11.372 44.922 1.00 34.76 N ATOM 842 CA PRO A 431 4.527 11.370 44.360 1.00 34.03 C ATOM 843 C PRO A 431 4.816 12.481 43.364 1.00 35.71 C ATOM 844 O PRO A 431 5.981 12.865 43.225 1.00 34.33 O ATOM 845 CB PRO A 431 4.631 9.992 43.664 1.00 35.08 C ATOM 846 CG PRO A 431 3.225 9.538 43.474 1.00 34.94 C ATOM 847 CD PRO A 431 2.453 10.120 44.617 1.00 34.12 C ATOM 848 N ASP A 432 3.789 12.980 42.683 1.00 35.65 N ATOM 849 CA ASP A 432 3.961 14.103 41.747 1.00 40.69 C ATOM 850 C ASP A 432 3.881 15.518 42.389 1.00 38.25 C ATOM 851 O ASP A 432 4.089 16.507 41.712 1.00 34.56 O ATOM 852 CB ASP A 432 2.949 14.002 40.571 1.00 46.13 C ATOM 853 CG ASP A 432 1.479 13.868 41.039 1.00 51.82 C ATOM 854 OD1 ASP A 432 1.240 13.365 42.166 1.00 59.15 O ATOM 855 OD2 ASP A 432 0.555 14.242 40.272 1.00 53.79 O ATOM 856 H ASP A 432 2.843 12.568 42.814 1.00 0.00 H ATOM 857 N HIS A 433 3.610 15.617 43.688 1.00 34.37 N ATOM 858 CA HIS A 433 3.465 16.910 44.335 1.00 31.42 C ATOM 859 C HIS A 433 4.815 17.655 44.408 1.00 29.50 C ATOM 860 O HIS A 433 5.887 17.045 44.569 1.00 29.68 O ATOM 861 CB HIS A 433 2.890 16.670 45.726 1.00 31.62 C ATOM 862 CG HIS A 433 2.400 17.898 46.426 1.00 31.93 C ATOM 863 ND1 HIS A 433 1.073 18.085 46.756 1.00 34.84 N ATOM 864 CD2 HIS A 433 3.059 18.969 46.912 1.00 30.46 C ATOM 865 CE1 HIS A 433 0.943 19.222 47.418 1.00 34.23 C ATOM 866 NE2 HIS A 433 2.137 19.778 47.524 1.00 32.60 N ATOM 867 H HIS A 433 3.500 14.750 44.252 1.00 0.00 H ATOM 868 N ASP A 434 4.773 18.969 44.277 1.00 28.10 N ATOM 869 CA ASP A 434 5.983 19.808 44.318 1.00 28.64 C ATOM 870 C ASP A 434 6.766 19.694 45.615 1.00 25.16 C ATOM 871 O ASP A 434 7.967 19.747 45.614 1.00 22.70 O ATOM 872 CB ASP A 434 5.605 21.274 44.169 1.00 34.28 C ATOM 873 CG ASP A 434 5.081 21.594 42.783 1.00 39.83 C ATOM 874 OD1 ASP A 434 5.669 21.109 41.790 1.00 44.54 O ATOM 875 OD2 ASP A 434 4.075 22.326 42.694 1.00 46.85 O ATOM 876 H ASP A 434 3.850 19.429 44.140 1.00 0.00 H ATOM 877 N VAL A 435 6.077 19.554 46.732 1.00 23.02 N ATOM 878 CA VAL A 435 6.759 19.419 48.009 1.00 22.03 C ATOM 879 C VAL A 435 7.619 18.145 48.074 1.00 21.65 C ATOM 880 O VAL A 435 8.671 18.140 48.695 1.00 22.23 O ATOM 881 CB VAL A 435 5.773 19.509 49.166 1.00 21.82 C ATOM 882 CG1 VAL A 435 5.078 18.167 49.427 1.00 21.28 C ATOM 883 CG2 VAL A 435 6.494 20.042 50.407 1.00 22.30 C ATOM 884 H VAL A 435 5.038 19.540 46.698 1.00 0.00 H ATOM 885 N VAL A 436 7.173 17.088 47.410 1.00 20.63 N ATOM 886 CA VAL A 436 7.972 15.861 47.277 1.00 21.02 C ATOM 887 C VAL A 436 9.282 16.044 46.485 1.00 20.21 C ATOM 888 O VAL A 436 10.355 15.559 46.910 1.00 18.96 O ATOM 889 CB VAL A 436 7.138 14.708 46.672 1.00 20.97 C ATOM 890 CG1 VAL A 436 8.002 13.473 46.426 1.00 20.61 C ATOM 891 CG2 VAL A 436 5.998 14.381 47.606 1.00 21.88 C ATOM 892 H VAL A 436 6.231 17.128 46.971 1.00 0.00 H ATOM 893 N ALA A 437 9.201 16.751 45.361 1.00 21.47 N ATOM 894 CA ALA A 437 10.376 17.119 44.573 1.00 22.41 C ATOM 895 C ALA A 437 11.340 17.994 45.383 1.00 22.95 C ATOM 896 O ALA A 437 12.566 17.811 45.329 1.00 21.24 O ATOM 897 CB ALA A 437 9.960 17.842 43.284 1.00 25.20 C ATOM 898 H ALA A 437 8.263 17.054 45.029 1.00 0.00 H ATOM 899 N MET A 438 10.787 18.927 46.155 1.00 23.13 N ATOM 900 CA MET A 438 11.589 19.701 47.107 1.00 24.00 C ATOM 901 C MET A 438 12.264 18.831 48.182 1.00 21.97 C ATOM 902 O MET A 438 13.416 19.040 48.495 1.00 21.20 O ATOM 903 CB MET A 438 10.718 20.774 47.772 1.00 26.27 C ATOM 904 CG MET A 438 10.244 21.833 46.781 1.00 29.26 C ATOM 905 SD MET A 438 9.050 22.945 47.547 1.00 32.42 S ATOM 906 CE MET A 438 10.107 24.001 48.451 1.00 32.13 C ATOM 907 H MET A 438 9.766 19.110 46.081 1.00 0.00 H ATOM 908 N ALA A 439 11.531 17.880 48.767 1.00 21.91 N ATOM 909 CA ALA A 439 12.091 16.965 49.769 1.00 20.85 C ATOM 910 C ALA A 439 13.285 16.148 49.240 1.00 21.12 C ATOM 911 O ALA A 439 14.307 16.015 49.928 1.00 20.79 O ATOM 912 CB ALA A 439 11.013 16.004 50.287 1.00 20.95 C ATOM 913 H ALA A 439 10.529 17.785 48.504 1.00 0.00 H ATOM 914 N ARG A 440 13.123 15.563 48.048 1.00 21.73 N ATOM 915 CA ARG A 440 14.186 14.809 47.403 1.00 21.41 C ATOM 916 C ARG A 440 15.437 15.657 47.204 1.00 22.09 C ATOM 917 O ARG A 440 16.542 15.180 47.426 1.00 21.74 O ATOM 918 CB ARG A 440 13.742 14.261 46.066 1.00 22.66 C ATOM 919 CG ARG A 440 12.772 13.128 46.200 1.00 22.63 C ATOM 920 CD ARG A 440 12.140 12.774 44.874 1.00 23.59 C ATOM 921 NE ARG A 440 11.070 11.813 45.091 1.00 24.25 N ATOM 922 CZ ARG A 440 10.043 11.597 44.265 1.00 29.87 C ATOM 923 NH1 ARG A 440 9.913 12.271 43.135 1.00 33.01 N ATOM 924 NH2 ARG A 440 9.110 10.702 44.580 1.00 33.28 N ATOM 925 HE ARG A 440 11.108 11.247 45.962 1.00 0.00 H ATOM 926 HH12 ARG A 440 9.104 12.085 42.508 1.00 0.00 H ATOM 927 HH11 ARG A 440 10.620 12.988 42.873 1.00 0.00 H ATOM 928 HH22 ARG A 440 8.311 10.535 43.936 1.00 0.00 H ATOM 929 HH21 ARG A 440 9.180 10.169 45.471 1.00 0.00 H ATOM 930 H ARG A 440 12.206 15.650 47.566 1.00 0.00 H ATOM 931 N LYS A 441 15.280 16.911 46.813 1.00 23.60 N ATOM 932 CA LYS A 441 16.454 17.758 46.637 1.00 24.73 C ATOM 933 C LYS A 441 17.114 18.017 47.967 1.00 23.10 C ATOM 934 O LYS A 441 18.316 18.043 48.058 1.00 22.57 O ATOM 935 CB LYS A 441 16.100 19.083 45.991 1.00 28.83 C ATOM 936 CG LYS A 441 15.806 19.003 44.523 1.00 33.66 C ATOM 937 CD LYS A 441 15.821 20.382 43.892 1.00 38.66 C ATOM 938 CE LYS A 441 17.233 20.768 43.477 1.00 42.98 C ATOM 939 NZ LYS A 441 17.208 22.134 42.865 1.00 47.48 N ATOM 940 HZ1 LYS A 441 16.587 22.127 42.031 1.00 0.00 H ATOM 941 HZ2 LYS A 441 16.848 22.818 43.561 1.00 0.00 H ATOM 942 HZ3 LYS A 441 18.171 22.402 42.580 1.00 0.00 H ATOM 943 H LYS A 441 14.328 17.289 46.633 1.00 0.00 H ATOM 944 N LEU A 442 16.331 18.254 49.010 1.00 21.67 N ATOM 945 CA LEU A 442 16.945 18.535 50.290 1.00 21.89 C ATOM 946 C LEU A 442 17.608 17.279 50.878 1.00 20.41 C ATOM 947 O LEU A 442 18.676 17.358 51.430 1.00 18.40 O ATOM 948 CB LEU A 442 15.940 19.146 51.283 1.00 22.27 C ATOM 949 CG LEU A 442 16.548 19.766 52.528 1.00 23.48 C ATOM 950 CD1 LEU A 442 17.519 20.899 52.210 1.00 25.95 C ATOM 951 CD2 LEU A 442 15.469 20.274 53.441 1.00 23.49 C ATOM 952 H LEU A 442 15.296 18.238 48.910 1.00 0.00 H ATOM 953 N GLN A 443 16.946 16.142 50.747 1.00 21.22 N ATOM 954 CA GLN A 443 17.451 14.896 51.214 1.00 22.76 C ATOM 955 C GLN A 443 18.782 14.504 50.569 1.00 22.58 C ATOM 956 O GLN A 443 19.664 13.954 51.265 1.00 22.16 O ATOM 957 CB GLN A 443 16.426 13.764 51.008 1.00 23.72 C ATOM 958 CG GLN A 443 16.945 12.494 51.635 1.00 25.73 C ATOM 959 CD GLN A 443 15.870 11.479 51.938 1.00 29.89 C ATOM 960 OE1 GLN A 443 14.831 11.443 51.294 1.00 30.31 O ATOM 961 NE2 GLN A 443 16.140 10.610 52.912 1.00 34.52 N ATOM 962 HE22 GLN A 443 17.037 10.677 53.435 1.00 0.00 H ATOM 963 HE21 GLN A 443 15.454 9.865 53.149 1.00 0.00 H ATOM 964 H GLN A 443 16.016 16.159 50.282 1.00 0.00 H ATOM 965 N ASP A 444 18.934 14.778 49.279 1.00 22.26 N ATOM 966 CA ASP A 444 20.237 14.558 48.610 1.00 25.92 C ATOM 967 C ASP A 444 21.361 15.370 49.247 1.00 24.38 C ATOM 968 O ASP A 444 22.486 14.883 49.349 1.00 23.51 O ATOM 969 CB ASP A 444 20.165 14.881 47.112 1.00 29.20 C ATOM 970 CG ASP A 444 19.255 13.915 46.369 1.00 33.27 C ATOM 971 OD1 ASP A 444 18.958 12.842 46.944 1.00 40.60 O ATOM 972 OD2 ASP A 444 18.812 14.220 45.251 1.00 37.52 O ATOM 973 H ASP A 444 18.131 15.150 48.733 1.00 0.00 H ATOM 974 N VAL A 445 21.063 16.588 49.675 1.00 22.10 N ATOM 975 CA VAL A 445 22.076 17.405 50.369 1.00 21.73 C ATOM 976 C VAL A 445 22.388 16.736 51.692 1.00 21.00 C ATOM 977 O VAL A 445 23.556 16.567 52.064 1.00 20.82 O ATOM 978 CB VAL A 445 21.567 18.841 50.627 1.00 23.38 C ATOM 979 CG1 VAL A 445 22.555 19.633 51.463 1.00 23.40 C ATOM 980 CG2 VAL A 445 21.298 19.531 49.274 1.00 24.69 C ATOM 981 H VAL A 445 20.108 16.971 49.521 1.00 0.00 H ATOM 982 N PHE A 446 21.335 16.342 52.406 1.00 20.42 N ATOM 983 CA PHE A 446 21.509 15.698 53.690 1.00 20.42 C ATOM 984 C PHE A 446 22.316 14.395 53.604 1.00 18.98 C ATOM 985 O PHE A 446 23.237 14.218 54.389 1.00 18.26 O ATOM 986 CB PHE A 446 20.161 15.419 54.366 1.00 19.91 C ATOM 987 CG PHE A 446 20.289 14.498 55.508 1.00 20.58 C ATOM 988 CD1 PHE A 446 20.876 14.927 56.697 1.00 20.92 C ATOM 989 CD2 PHE A 446 19.889 13.166 55.400 1.00 22.71 C ATOM 990 CE1 PHE A 446 21.028 14.070 57.765 1.00 21.49 C ATOM 991 CE2 PHE A 446 20.056 12.301 56.476 1.00 22.33 C ATOM 992 CZ PHE A 446 20.617 12.757 57.649 1.00 22.77 C ATOM 993 H PHE A 446 20.376 16.499 52.036 1.00 0.00 H ATOM 994 N GLU A 447 21.979 13.498 52.671 1.00 19.39 N ATOM 995 CA GLU A 447 22.631 12.184 52.592 1.00 21.19 C ATOM 996 C GLU A 447 24.084 12.363 52.139 1.00 21.80 C ATOM 997 O GLU A 447 24.967 11.616 52.544 1.00 21.29 O ATOM 998 CB GLU A 447 21.920 11.245 51.620 1.00 23.34 C ATOM 999 CG GLU A 447 20.458 10.859 51.917 1.00 24.79 C ATOM 1000 CD GLU A 447 20.263 9.987 53.165 1.00 27.42 C ATOM 1001 OE1 GLU A 447 21.271 9.445 53.708 1.00 30.31 O ATOM 1002 OE2 GLU A 447 19.095 9.886 53.647 1.00 29.30 O ATOM 1003 H GLU A 447 21.236 13.737 51.984 1.00 0.00 H ATOM 1004 N PHE A 448 24.327 13.342 51.272 1.00 23.45 N ATOM 1005 CA PHE A 448 25.710 13.719 50.915 1.00 24.80 C ATOM 1006 C PHE A 448 26.549 14.100 52.142 1.00 25.73 C ATOM 1007 O PHE A 448 27.591 13.469 52.426 1.00 22.44 O ATOM 1008 CB PHE A 448 25.702 14.845 49.901 1.00 26.06 C ATOM 1009 CG PHE A 448 27.036 15.489 49.686 1.00 29.07 C ATOM 1010 CD1 PHE A 448 28.102 14.766 49.166 1.00 29.99 C ATOM 1011 CD2 PHE A 448 27.222 16.842 49.999 1.00 31.38 C ATOM 1012 CE1 PHE A 448 29.328 15.377 48.965 1.00 32.41 C ATOM 1013 CE2 PHE A 448 28.459 17.457 49.812 1.00 33.96 C ATOM 1014 CZ PHE A 448 29.511 16.718 49.279 1.00 33.58 C ATOM 1015 H PHE A 448 23.530 13.850 50.838 1.00 0.00 H ATOM 1016 N ARG A 449 26.082 15.093 52.899 1.00 26.40 N ATOM 1017 CA ARG A 449 26.839 15.574 54.075 1.00 26.57 C ATOM 1018 C ARG A 449 26.931 14.469 55.154 1.00 24.28 C ATOM 1019 O ARG A 449 27.963 14.242 55.759 1.00 24.06 O ATOM 1020 CB ARG A 449 26.220 16.865 54.644 1.00 27.81 C ATOM 1021 CG ARG A 449 26.240 18.079 53.688 1.00 30.27 C ATOM 1022 CD ARG A 449 27.621 18.736 53.593 1.00 32.86 C ATOM 1023 NE ARG A 449 28.218 18.866 54.939 1.00 39.55 N ATOM 1024 CZ ARG A 449 28.181 19.961 55.726 1.00 41.34 C ATOM 1025 NH1 ARG A 449 27.616 21.094 55.322 1.00 41.88 N ATOM 1026 NH2 ARG A 449 28.742 19.929 56.933 1.00 39.81 N ATOM 1027 HE ARG A 449 28.714 18.033 55.315 1.00 0.00 H ATOM 1028 HH12 ARG A 449 27.603 21.922 55.951 1.00 0.00 H ATOM 1029 HH11 ARG A 449 27.187 21.153 54.376 1.00 0.00 H ATOM 1030 HH22 ARG A 449 28.715 20.772 57.542 1.00 0.00 H ATOM 1031 HH21 ARG A 449 29.207 19.061 57.267 1.00 0.00 H ATOM 1032 H ARG A 449 25.172 15.536 52.659 1.00 0.00 H ATOM 1033 N TYR A 450 25.861 13.745 55.376 1.00 24.19 N ATOM 1034 CA TYR A 450 25.894 12.710 56.397 1.00 22.99 C ATOM 1035 C TYR A 450 26.885 11.599 56.002 1.00 22.02 C ATOM 1036 O TYR A 450 27.672 11.149 56.841 1.00 22.04 O ATOM 1037 CB TYR A 450 24.497 12.162 56.639 1.00 22.57 C ATOM 1038 CG TYR A 450 24.398 11.184 57.784 1.00 24.46 C ATOM 1039 CD1 TYR A 450 24.503 11.612 59.114 1.00 26.50 C ATOM 1040 CD2 TYR A 450 24.189 9.822 57.550 1.00 27.26 C ATOM 1041 CE1 TYR A 450 24.430 10.707 60.164 1.00 28.42 C ATOM 1042 CE2 TYR A 450 24.087 8.924 58.604 1.00 28.22 C ATOM 1043 CZ TYR A 450 24.222 9.376 59.895 1.00 28.34 C ATOM 1044 OH TYR A 450 24.116 8.498 60.918 1.00 32.16 O ATOM 1045 HH TYR A 450 24.236 8.977 61.776 1.00 0.00 H ATOM 1046 H TYR A 450 24.994 13.910 54.826 1.00 0.00 H ATOM 1047 N ALA A 451 26.898 11.216 54.740 1.00 20.86 N ATOM 1048 CA ALA A 451 27.838 10.175 54.277 1.00 22.32 C ATOM 1049 C ALA A 451 29.303 10.609 54.340 1.00 24.14 C ATOM 1050 O ALA A 451 30.190 9.770 54.526 1.00 24.60 O ATOM 1051 CB ALA A 451 27.499 9.777 52.854 1.00 21.66 C ATOM 1052 H ALA A 451 26.239 11.652 54.063 1.00 0.00 H ATOM 1053 N LYS A 452 29.566 11.892 54.088 1.00 26.67 N ATOM 1054 CA LYS A 452 30.948 12.422 54.141 1.00 29.77 C ATOM 1055 C LYS A 452 31.428 12.785 55.553 1.00 32.06 C ATOM 1056 O LYS A 452 32.546 13.245 55.711 1.00 34.42 O ATOM 1057 CB LYS A 452 31.086 13.644 53.240 1.00 31.00 C ATOM 1058 CG LYS A 452 30.722 13.401 51.774 1.00 30.93 C ATOM 1059 CD LYS A 452 31.801 12.684 50.997 1.00 31.88 C ATOM 1060 CE LYS A 452 31.548 12.801 49.500 1.00 30.65 C ATOM 1061 NZ LYS A 452 32.243 11.720 48.743 1.00 31.87 N ATOM 1062 HZ1 LYS A 452 33.267 11.785 48.911 1.00 0.00 H ATOM 1063 HZ2 LYS A 452 31.895 10.794 49.065 1.00 0.00 H ATOM 1064 HZ3 LYS A 452 32.049 11.830 47.727 1.00 0.00 H ATOM 1065 H LYS A 452 28.784 12.534 53.849 1.00 0.00 H ATOM 1066 N MET A 453 30.603 12.597 56.578 1.00 34.53 N ATOM 1067 CA MET A 453 31.000 12.929 57.940 1.00 39.47 C ATOM 1068 C MET A 453 32.200 12.050 58.326 1.00 42.85 C ATOM 1069 O MET A 453 32.172 10.873 58.041 1.00 41.24 O ATOM 1070 CB MET A 453 29.817 12.650 58.868 1.00 42.20 C ATOM 1071 CG MET A 453 29.996 13.016 60.332 1.00 45.87 C ATOM 1072 SD MET A 453 28.462 12.744 61.280 1.00 48.00 S ATOM 1073 CE MET A 453 27.348 13.818 60.422 1.00 46.88 C ATOM 1074 H MET A 453 29.655 12.205 56.404 1.00 0.00 H ATOM 1075 N PRO A 454 33.263 12.620 58.959 1.00 47.04 N ATOM 1076 CA PRO A 454 34.428 11.825 59.451 1.00 47.79 C ATOM 1077 C PRO A 454 34.070 10.688 60.408 1.00 46.74 C ATOM 1078 O PRO A 454 33.120 10.843 61.170 1.00 44.65 O ATOM 1079 CB PRO A 454 35.263 12.864 60.199 1.00 48.23 C ATOM 1080 CG PRO A 454 34.958 14.149 59.516 1.00 48.08 C ATOM 1081 CD PRO A 454 33.529 14.069 59.042 1.00 46.03 C TER 1082 PRO A 454 HETATM 1083 O HOH 1 17.521 26.150 53.723 1.00 25.79 O HETATM 1084 O HOH 2 16.089 9.955 66.515 1.00 26.15 O HETATM 1085 O HOH 3 13.945 25.439 66.879 1.00 40.10 O HETATM 1086 O HOH 4 13.664 7.950 60.298 1.00 31.34 O HETATM 1087 O HOH 5 -0.443 16.894 49.661 1.00 35.07 O HETATM 1088 O HOH 6 6.930 8.495 58.210 1.00 35.16 O HETATM 1089 O HOH 7 0.708 13.475 64.527 1.00 37.17 O HETATM 1090 O HOH 8 18.118 6.586 59.755 1.00 25.99 O HETATM 1091 O HOH 9 7.277 18.610 63.220 1.00 27.62 O HETATM 1092 O HOH 10 29.584 16.288 55.946 1.00 32.96 O HETATM 1093 O HOH 11 7.660 16.208 57.050 1.00 19.88 O HETATM 1094 O HOH 12 7.222 15.184 43.174 1.00 26.74 O HETATM 1095 O HOH 13 12.487 7.248 57.732 1.00 30.32 O HETATM 1096 O HOH 14 13.684 16.686 43.218 1.00 26.98 O HETATM 1097 O HOH 15 19.765 6.616 61.828 1.00 24.63 O HETATM 1098 O HOH 16 21.957 16.145 70.859 1.00 32.79 O HETATM 1099 O HOH 17 5.214 15.960 55.930 1.00 19.46 O HETATM 1100 O HOH 18 10.528 28.202 46.574 1.00 36.52 O HETATM 1101 O HOH 19 7.532 25.105 57.143 1.00 25.25 O HETATM 1102 O HOH 20 -4.564 16.710 60.879 1.00 42.13 O HETATM 1103 O HOH 21 5.373 9.502 61.312 1.00 19.32 O HETATM 1104 O HOH 22 3.087 8.055 60.467 1.00 36.13 O HETATM 1105 O HOH 23 5.508 10.354 47.783 1.00 32.31 O HETATM 1106 O HOH 24 6.181 15.835 59.593 1.00 22.68 O HETATM 1107 O HOH 25 8.330 18.743 57.893 1.00 21.06 O HETATM 1108 O HOH 26 14.105 9.291 54.289 1.00 30.27 O HETATM 1109 O HOH 27 7.014 21.041 57.588 1.00 19.22 O HETATM 1110 O HOH 28 7.881 9.903 47.037 1.00 36.07 O HETATM 1111 O HOH 29 2.346 24.234 57.596 1.00 25.61 O HETATM 1112 O HOH 30 3.169 18.656 62.272 1.00 31.54 O HETATM 1113 O HOH 31 23.112 12.509 47.790 1.00 26.06 O HETATM 1114 O HOH 32 17.704 27.792 47.205 1.00 36.19 O HETATM 1115 O HOH 33 5.665 18.507 61.062 1.00 27.71 O HETATM 1116 O HOH 34 21.174 6.713 52.535 1.00 26.87 O HETATM 1117 O HOH 35 27.848 9.375 66.737 1.00 31.49 O HETATM 1118 O HOH 36 11.869 14.991 42.089 1.00 36.02 O HETATM 1119 O HOH 37 16.293 11.156 70.155 1.00 44.27 O HETATM 1120 O HOH 38 16.098 15.686 43.322 1.00 33.09 O HETATM 1121 O HOH 39 3.373 18.858 64.967 1.00 32.41 O HETATM 1122 O3 UNN A 40 1.534 23.205 48.728 1.00 -0.38 O HETATM 1123 C3 UNN A 40 2.257 22.659 49.532 1.00 0.32 C HETATM 1124 O UNN A 40 3.605 22.703 49.489 1.00 -0.26 O HETATM 1125 C1 UNN A 40 4.206 23.676 48.566 1.00 0.08 C HETATM 1126 C2 UNN A 40 5.587 23.920 49.057 1.00 -0.03 C HETATM 1127 H15 UNN A 40 6.087 24.646 48.399 1.00 0.03 H HETATM 1128 H16 UNN A 40 6.149 22.975 49.055 1.00 0.03 H HETATM 1129 H17 UNN A 40 5.547 24.320 50.081 1.00 0.03 H HETATM 1130 C UNN A 40 4.181 23.055 47.189 1.00 -0.03 C HETATM 1131 H18 UNN A 40 4.624 23.753 46.464 1.00 0.03 H HETATM 1132 H19 UNN A 40 3.141 22.840 46.903 1.00 0.03 H HETATM 1133 H20 UNN A 40 4.760 22.120 47.198 1.00 0.03 H HETATM 1134 H14 UNN A 40 3.638 24.618 48.560 1.00 0.06 H HETATM 1135 N UNN A 40 1.823 21.939 50.589 1.00 -0.25 N HETATM 1136 C4 UNN A 40 2.605 21.118 51.511 1.00 0.08 C HETATM 1137 C5 UNN A 40 1.822 19.989 52.164 1.00 0.01 C HETATM 1138 C6 UNN A 40 2.674 19.083 53.061 1.00 0.07 C HETATM 1139 N1 UNN A 40 3.929 19.738 53.504 1.00 -0.22 N HETATM 1140 C8 UNN A 40 5.003 18.897 53.727 1.00 0.20 C HETATM 1141 C9 UNN A 40 6.332 19.481 54.089 1.00 0.03 C HETATM 1142 H8 UNN A 40 7.063 18.671 54.228 1.00 0.05 H HETATM 1143 H9 UNN A 40 6.238 20.055 55.023 1.00 0.05 H HETATM 1144 H10 UNN A 40 6.672 20.147 53.282 1.00 0.05 H HETATM 1145 O1 UNN A 40 4.878 17.687 53.625 1.00 -0.39 O HETATM 1146 C10 UNN A 40 3.960 21.168 53.610 1.00 0.07 C HETATM 1147 C11 UNN A 40 4.567 21.838 54.674 1.00 -0.05 C HETATM 1148 C12 UNN A 40 4.482 23.221 54.757 1.00 -0.07 C HETATM 1149 C13 UNN A 40 3.789 23.960 53.787 1.00 -0.01 C HETATM 1150 C14 UNN A 40 3.218 23.285 52.713 1.00 -0.06 C HETATM 1151 C15 UNN A 40 3.291 21.895 52.610 1.00 0.00 C HETATM 1152 H13 UNN A 40 2.707 23.849 51.941 1.00 0.05 H HETATM 1153 C16 UNN A 40 3.637 25.428 53.906 1.00 0.11 C HETATM 1154 O2 UNN A 40 4.311 26.048 54.931 1.00 -0.27 O HETATM 1155 C19 UNN A 40 4.064 27.405 54.791 1.00 0.08 C HETATM 1156 C18 UNN A 40 3.278 27.629 53.745 1.00 -0.07 C HETATM 1157 C17 UNN A 40 2.992 26.351 53.157 1.00 -0.06 C HETATM 1158 H24 UNN A 40 2.376 26.162 52.279 1.00 0.03 H HETATM 1159 H23 UNN A 40 2.919 28.597 53.399 1.00 0.03 H HETATM 1160 H22 UNN A 40 4.460 28.179 55.447 1.00 0.10 H HETATM 1161 H12 UNN A 40 4.958 23.737 55.583 1.00 0.05 H HETATM 1162 H11 UNN A 40 5.103 21.280 55.433 1.00 0.05 H HETATM 1163 C7 UNN A 40 1.879 18.559 54.230 1.00 -0.04 C HETATM 1164 H5 UNN A 40 2.520 17.915 54.850 1.00 0.03 H HETATM 1165 H6 UNN A 40 1.023 17.976 53.859 1.00 0.03 H HETATM 1166 H7 UNN A 40 1.514 19.403 54.834 1.00 0.03 H HETATM 1167 H4 UNN A 40 2.965 18.214 52.453 1.00 0.06 H HETATM 1168 H2 UNN A 40 1.377 19.371 51.370 1.00 0.03 H HETATM 1169 H3 UNN A 40 1.022 20.431 52.777 1.00 0.03 H HETATM 1170 H1 UNN A 40 3.395 20.654 50.902 1.00 0.07 H HETATM 1171 H21 UNN A 40 0.839 21.972 50.763 1.00 0.19 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 1122 1123 CONECT 1123 1122 1124 1135 CONECT 1124 1123 1125 CONECT 1125 1124 1126 1130 1134 CONECT 1126 1125 1127 1128 1129 CONECT 1127 1126 CONECT 1128 1126 CONECT 1129 1126 CONECT 1130 1125 1131 1132 1133 CONECT 1131 1130 CONECT 1132 1130 CONECT 1133 1130 CONECT 1134 1125 CONECT 1135 1123 1136 1171 CONECT 1136 1135 1137 1151 1170 CONECT 1137 1136 1138 1168 1169 CONECT 1138 1137 1139 1163 1167 CONECT 1139 1138 1140 1146 CONECT 1140 1139 1141 1145 CONECT 1141 1140 1142 1143 1144 CONECT 1142 1141 CONECT 1143 1141 CONECT 1144 1141 CONECT 1145 1140 CONECT 1146 1139 1147 1151 CONECT 1147 1146 1148 1162 CONECT 1148 1147 1149 1161 CONECT 1149 1148 1150 1153 CONECT 1150 1149 1151 1152 CONECT 1151 1136 1146 1150 CONECT 1152 1150 CONECT 1153 1149 1154 1157 CONECT 1154 1153 1155 CONECT 1155 1154 1156 1160 CONECT 1156 1155 1157 1159 CONECT 1157 1153 1156 1158 CONECT 1158 1157 CONECT 1159 1156 CONECT 1160 1155 CONECT 1161 1148 CONECT 1162 1147 CONECT 1163 1138 1164 1165 1166 CONECT 1164 1163 CONECT 1165 1163 CONECT 1166 1163 CONECT 1167 1138 CONECT 1168 1137 CONECT 1169 1137 CONECT 1170 1136 CONECT 1171 1135 MASTER 0 0 0 0 0 0 0 0 1170 1 54 9 END
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Related entries of code: 5ek9
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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6fff
RCSB PDB
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115aa, >6FFF_1|Chain... at 97%
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RCSB PDB
PDBbind
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5ek9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Bromodomain-containing protein 2
Ligand Name
5P4
EC.Number
E.C.-.-.-.-
Resolution
2.08(Å)
Affinity (Kd/Ki/IC50)
Kd=47nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Bioorg. Med. Chem. Vol. : pp. -
Ligand Properties
Formula
C
2
0
H
2
4
N
2
O
4
Molecular Weight
356.416
Exact Mass
356.174
No. of atoms
50
No. of bonds
52
Polar Surface Area
71.78
LOGP Value
2.92 (
Computed with XLOGP3
)
4.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
CC(OC(=O)N[C@@H]1C[C@H](C)N(c2c1cc(cc2)c1ccco1)C(=O)C)C
InChI String
InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P25440
Entrez Gene ID
NCBI Entrez Gene ID:
6046
ASD
Information of known allosteric effects of PDB entries
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