Browse entries in the PDBbind-CN Database
HEADER 5N18_COMPLEX COMPND 5N18_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 MET GLY ALA ALA GLU LEU ARG PHE CYS ASN GLN THR ILE SEQRES 2 A 106 LYS GLU LEU MET SER LYS LYS HIS TYR ASN TYR ASN PHE SEQRES 3 A 106 PRO PHE LEU ALA PRO VAL ASP THR VAL ALA LEU ASN ILE SEQRES 4 A 106 PRO ASN TYR ASN GLU ILE VAL LYS GLN PRO MET ASP LEU SEQRES 5 A 106 GLY THR ILE GLN SER LYS LEU ALA ASN ASN GLU TYR GLU SEQRES 6 A 106 ASN ALA ASP ASP PHE GLU LYS ASP VAL ARG LEU VAL PHE SEQRES 7 A 106 LYS ASN CYS TYR LEU PHE ASN PRO GLU GLY THR ASP VAL SEQRES 8 A 106 ASN MET MET GLY HIS ARG LEU GLU ALA VAL PHE ASP LYS SEQRES 9 A 106 LYS TRP HET UNN A 229 44 ATOM 1 N MET A 384 33.620 22.631 46.988 1.00 33.25 N ATOM 2 CA MET A 384 33.211 22.604 45.589 1.00 31.38 C ATOM 3 C MET A 384 31.771 22.114 45.472 1.00 30.39 C ATOM 4 O MET A 384 31.329 21.277 46.261 1.00 30.96 O ATOM 5 CB MET A 384 34.146 21.701 44.780 1.00 32.30 C ATOM 6 CG MET A 384 34.017 21.851 43.272 1.00 32.92 C ATOM 7 SD MET A 384 35.001 20.647 42.353 1.00 32.76 S ATOM 8 CE MET A 384 36.646 20.999 42.962 1.00 31.00 C ATOM 9 HN3 MET A 384 33.552 21.673 47.386 1.00 0.00 H ATOM 10 HN2 MET A 384 32.997 23.273 47.518 1.00 0.00 H ATOM 11 HN1 MET A 384 34.602 22.966 47.054 1.00 0.00 H ATOM 12 N GLY A 385 31.044 22.644 44.490 1.00 28.39 N ATOM 13 CA GLY A 385 29.678 22.202 44.273 1.00 27.51 C ATOM 14 C GLY A 385 29.608 20.723 43.948 1.00 25.97 C ATOM 15 O GLY A 385 30.556 20.129 43.433 1.00 24.94 O ATOM 16 H GLY A 385 31.456 23.376 43.877 1.00 0.00 H ATOM 17 N ALA A 386 28.456 20.123 44.257 1.00 26.60 N ATOM 18 CA ALA A 386 28.311 18.675 44.129 1.00 25.22 C ATOM 19 C ALA A 386 28.521 18.215 42.691 1.00 23.81 C ATOM 20 O ALA A 386 29.261 17.258 42.435 1.00 23.27 O ATOM 21 CB ALA A 386 26.939 18.239 44.644 1.00 25.31 C ATOM 22 H ALA A 386 27.653 20.693 44.592 1.00 0.00 H ATOM 23 N ALA A 387 27.870 18.882 41.736 1.00 22.95 N ATOM 24 CA ALA A 387 28.017 18.494 40.337 1.00 21.05 C ATOM 25 C ALA A 387 29.441 18.722 39.844 1.00 21.55 C ATOM 26 O ALA A 387 29.981 17.906 39.087 1.00 20.82 O ATOM 27 CB ALA A 387 27.014 19.256 39.472 1.00 20.49 C ATOM 28 H ALA A 387 27.255 19.682 41.990 1.00 0.00 H ATOM 29 N GLU A 388 30.068 19.824 40.266 1.00 22.17 N ATOM 30 CA GLU A 388 31.446 20.084 39.865 1.00 23.65 C ATOM 31 C GLU A 388 32.396 19.050 40.456 1.00 21.24 C ATOM 32 O GLU A 388 33.366 18.644 39.802 1.00 20.86 O ATOM 33 CB GLU A 388 31.859 21.501 40.270 1.00 29.07 C ATOM 34 CG GLU A 388 31.181 22.611 39.472 1.00 33.79 C ATOM 35 CD GLU A 388 29.735 22.839 39.879 1.00 37.96 C ATOM 36 OE1 GLU A 388 29.359 22.448 41.005 1.00 37.86 O ATOM 37 OE2 GLU A 388 28.972 23.410 39.072 1.00 40.91 O ATOM 38 H GLU A 388 29.572 20.499 40.883 1.00 0.00 H ATOM 39 N LEU A 389 32.136 18.613 41.691 1.00 19.90 N ATOM 40 CA LEU A 389 32.963 17.575 42.297 1.00 20.10 C ATOM 41 C LEU A 389 32.813 16.251 41.559 1.00 18.42 C ATOM 42 O LEU A 389 33.808 15.562 41.304 1.00 18.12 O ATOM 43 CB LEU A 389 32.612 17.417 43.777 1.00 23.61 C ATOM 44 CG LEU A 389 33.334 16.298 44.529 1.00 26.72 C ATOM 45 CD1 LEU A 389 34.833 16.534 44.520 1.00 28.95 C ATOM 46 CD2 LEU A 389 32.813 16.178 45.954 1.00 28.17 C ATOM 47 H LEU A 389 31.339 19.015 42.224 1.00 0.00 H ATOM 48 N ARG A 390 31.578 15.883 41.199 1.00 18.61 N ATOM 49 CA ARG A 390 31.366 14.652 40.443 1.00 17.57 C ATOM 50 C ARG A 390 32.122 14.680 39.123 1.00 17.56 C ATOM 51 O ARG A 390 32.701 13.668 38.709 1.00 16.93 O ATOM 52 CB ARG A 390 29.875 14.430 40.184 1.00 19.98 C ATOM 53 CG ARG A 390 29.069 14.011 41.399 1.00 22.89 C ATOM 54 CD ARG A 390 27.733 13.401 40.990 1.00 24.22 C ATOM 55 NE ARG A 390 26.962 14.283 40.118 1.00 25.77 N ATOM 56 CZ ARG A 390 26.116 15.211 40.553 1.00 26.60 C ATOM 57 NH1 ARG A 390 25.930 15.384 41.855 1.00 26.16 N ATOM 58 NH2 ARG A 390 25.458 15.970 39.686 1.00 26.45 N ATOM 59 HE ARG A 390 27.083 14.178 39.090 1.00 0.00 H ATOM 60 HH12 ARG A 390 25.268 16.111 42.194 1.00 0.00 H ATOM 61 HH11 ARG A 390 26.447 14.793 42.537 1.00 0.00 H ATOM 62 HH22 ARG A 390 24.796 16.696 40.028 1.00 0.00 H ATOM 63 HH21 ARG A 390 25.604 15.839 38.665 1.00 0.00 H ATOM 64 H ARG A 390 30.765 16.477 41.459 1.00 0.00 H ATOM 65 N PHE A 391 32.129 15.831 38.449 1.00 16.02 N ATOM 66 CA PHE A 391 32.793 15.914 37.153 1.00 14.58 C ATOM 67 C PHE A 391 34.308 15.837 37.301 1.00 16.35 C ATOM 68 O PHE A 391 34.984 15.214 36.475 1.00 16.96 O ATOM 69 CB PHE A 391 32.373 17.188 36.422 1.00 14.85 C ATOM 70 CG PHE A 391 32.718 17.188 34.961 1.00 15.14 C ATOM 71 CD1 PHE A 391 31.852 16.631 34.035 1.00 16.57 C ATOM 72 CD2 PHE A 391 33.911 17.734 34.514 1.00 17.45 C ATOM 73 CE1 PHE A 391 32.164 16.622 32.691 1.00 18.31 C ATOM 74 CE2 PHE A 391 34.230 17.729 33.168 1.00 17.88 C ATOM 75 CZ PHE A 391 33.355 17.172 32.255 1.00 19.24 C ATOM 76 H PHE A 391 31.661 16.670 38.848 1.00 0.00 H ATOM 77 N CYS A 392 34.859 16.464 38.345 1.00 16.17 N ATOM 78 CA CYS A 392 36.290 16.331 38.607 1.00 16.50 C ATOM 79 C CYS A 392 36.664 14.883 38.888 1.00 15.93 C ATOM 80 O CYS A 392 37.704 14.401 38.423 1.00 16.23 O ATOM 81 CB CYS A 392 36.705 17.218 39.782 1.00 16.79 C ATOM 82 SG CYS A 392 36.717 18.985 39.440 1.00 17.41 S ATOM 83 H CYS A 392 34.268 17.047 38.972 1.00 0.00 H ATOM 84 N ASN A 393 35.831 14.174 39.654 1.00 15.38 N ATOM 85 CA ASN A 393 36.104 12.769 39.938 1.00 15.96 C ATOM 86 C ASN A 393 36.045 11.926 38.673 1.00 15.78 C ATOM 87 O ASN A 393 36.896 11.056 38.460 1.00 16.41 O ATOM 88 CB ASN A 393 35.135 12.237 40.994 1.00 19.80 C ATOM 89 CG ASN A 393 35.622 12.484 42.407 1.00 25.49 C ATOM 90 OD1 ASN A 393 36.543 11.818 42.881 1.00 29.09 O ATOM 91 ND2 ASN A 393 35.006 13.441 43.090 1.00 27.45 N ATOM 92 HD22 ASN A 393 34.232 13.979 42.649 1.00 0.00 H ATOM 93 HD21 ASN A 393 35.297 13.653 44.066 1.00 0.00 H ATOM 94 H ASN A 393 34.982 14.626 40.051 1.00 0.00 H ATOM 95 N GLN A 394 35.043 12.164 37.823 1.00 14.99 N ATOM 96 CA GLN A 394 34.964 11.432 36.563 1.00 17.37 C ATOM 97 C GLN A 394 36.175 11.723 35.690 1.00 16.75 C ATOM 98 O GLN A 394 36.683 10.832 35.001 1.00 16.58 O ATOM 99 CB GLN A 394 33.668 11.789 35.833 1.00 22.67 C ATOM 100 CG GLN A 394 32.410 11.314 36.544 1.00 27.65 C ATOM 101 CD GLN A 394 31.149 11.959 36.000 1.00 32.31 C ATOM 102 OE1 GLN A 394 31.199 12.762 35.068 1.00 35.28 O ATOM 103 NE2 GLN A 394 30.008 11.612 36.587 1.00 33.82 N ATOM 104 HE22 GLN A 394 30.013 10.929 37.372 1.00 0.00 H ATOM 105 HE21 GLN A 394 29.110 12.023 36.262 1.00 0.00 H ATOM 106 H GLN A 394 34.318 12.872 38.059 1.00 0.00 H ATOM 107 N THR A 395 36.667 12.963 35.729 1.00 17.16 N ATOM 108 CA THR A 395 37.792 13.347 34.884 1.00 16.55 C ATOM 109 C THR A 395 39.083 12.666 35.326 1.00 15.86 C ATOM 110 O THR A 395 39.822 12.126 34.496 1.00 16.00 O ATOM 111 CB THR A 395 37.946 14.869 34.874 1.00 15.98 C ATOM 112 OG1 THR A 395 36.762 15.464 34.324 1.00 17.61 O ATOM 113 CG2 THR A 395 39.150 15.278 34.034 1.00 17.41 C ATOM 114 HG1 THR A 395 35.981 15.214 34.878 1.00 0.00 H ATOM 115 H THR A 395 36.243 13.664 36.370 1.00 0.00 H ATOM 116 N ILE A 396 39.377 12.683 36.630 1.00 15.51 N ATOM 117 CA ILE A 396 40.622 12.081 37.103 1.00 13.02 C ATOM 118 C ILE A 396 40.595 10.563 36.926 1.00 14.37 C ATOM 119 O ILE A 396 41.615 9.947 36.594 1.00 14.50 O ATOM 120 CB ILE A 396 40.950 12.523 38.546 1.00 13.60 C ATOM 121 CG1 ILE A 396 42.426 12.272 38.869 1.00 12.66 C ATOM 122 CG2 ILE A 396 40.056 11.831 39.566 1.00 15.66 C ATOM 123 CD1 ILE A 396 43.375 13.078 38.013 1.00 15.49 C ATOM 124 H ILE A 396 38.721 13.124 37.306 1.00 0.00 H ATOM 125 N LYS A 397 39.429 9.938 37.119 1.00 15.21 N ATOM 126 CA LYS A 397 39.322 8.501 36.885 1.00 17.18 C ATOM 127 C LYS A 397 39.531 8.171 35.414 1.00 17.98 C ATOM 128 O LYS A 397 40.179 7.173 35.080 1.00 20.00 O ATOM 129 CB LYS A 397 37.969 7.985 37.374 1.00 20.48 C ATOM 130 CG LYS A 397 37.821 7.985 38.884 1.00 23.59 C ATOM 131 CD LYS A 397 36.408 7.610 39.297 1.00 26.57 C ATOM 132 CE LYS A 397 36.232 7.701 40.804 1.00 29.73 C ATOM 133 NZ LYS A 397 34.807 7.556 41.214 1.00 32.49 N ATOM 134 HZ1 LYS A 397 34.243 8.312 40.776 1.00 0.00 H ATOM 135 HZ2 LYS A 397 34.450 6.630 40.902 1.00 0.00 H ATOM 136 HZ3 LYS A 397 34.737 7.625 42.249 1.00 0.00 H ATOM 137 H LYS A 397 38.597 10.476 37.436 1.00 0.00 H ATOM 138 N GLU A 398 38.994 9.007 34.522 1.00 18.78 N ATOM 139 CA GLU A 398 39.213 8.811 33.093 1.00 19.11 C ATOM 140 C GLU A 398 40.695 8.893 32.748 1.00 17.30 C ATOM 141 O GLU A 398 41.207 8.071 31.980 1.00 19.64 O ATOM 142 CB GLU A 398 38.412 9.843 32.298 1.00 20.66 C ATOM 143 CG GLU A 398 38.776 9.932 30.820 1.00 23.66 C ATOM 144 CD GLU A 398 38.242 8.770 30.005 1.00 26.15 C ATOM 145 OE1 GLU A 398 37.435 7.980 30.541 1.00 27.93 O ATOM 146 OE2 GLU A 398 38.627 8.648 28.823 1.00 26.84 O ATOM 147 H GLU A 398 38.414 9.806 34.849 1.00 0.00 H ATOM 148 N LEU A 399 41.406 9.869 33.322 1.00 15.60 N ATOM 149 CA LEU A 399 42.823 10.033 33.005 1.00 14.50 C ATOM 150 C LEU A 399 43.672 8.876 33.521 1.00 15.60 C ATOM 151 O LEU A 399 44.723 8.580 32.941 1.00 16.29 O ATOM 152 CB LEU A 399 43.347 11.358 33.563 1.00 14.67 C ATOM 153 CG LEU A 399 42.834 12.649 32.924 1.00 15.97 C ATOM 154 CD1 LEU A 399 43.505 13.858 33.561 1.00 17.94 C ATOM 155 CD2 LEU A 399 43.059 12.636 31.417 1.00 16.38 C ATOM 156 H LEU A 399 40.949 10.514 33.997 1.00 0.00 H ATOM 157 N MET A 400 43.246 8.218 34.598 1.00 13.47 N ATOM 158 CA MET A 400 44.013 7.143 35.215 1.00 13.29 C ATOM 159 C MET A 400 43.591 5.754 34.749 1.00 14.46 C ATOM 160 O MET A 400 44.236 4.767 35.123 1.00 16.39 O ATOM 161 CB MET A 400 43.919 7.232 36.743 1.00 13.22 C ATOM 162 CG MET A 400 44.454 8.537 37.315 1.00 13.62 C ATOM 163 SD MET A 400 44.299 8.657 39.111 1.00 16.36 S ATOM 164 CE MET A 400 45.517 7.463 39.661 1.00 16.80 C ATOM 165 H MET A 400 42.330 8.482 35.015 1.00 0.00 H ATOM 166 N SER A 401 42.544 5.651 33.935 1.00 16.83 N ATOM 167 CA SER A 401 41.973 4.352 33.606 1.00 18.24 C ATOM 168 C SER A 401 42.892 3.554 32.685 1.00 19.07 C ATOM 169 O SER A 401 43.667 4.112 31.902 1.00 18.06 O ATOM 170 CB SER A 401 40.605 4.527 32.949 1.00 21.09 C ATOM 171 OG SER A 401 40.689 5.357 31.804 1.00 24.51 O ATOM 172 HG SER A 401 41.029 6.248 32.068 1.00 0.00 H ATOM 173 H SER A 401 42.126 6.512 33.527 1.00 0.00 H ATOM 174 N LYS A 402 42.786 2.223 32.786 1.00 20.16 N ATOM 175 CA LYS A 402 43.577 1.322 31.952 1.00 21.70 C ATOM 176 C LYS A 402 43.318 1.533 30.468 1.00 21.61 C ATOM 177 O LYS A 402 44.159 1.160 29.642 1.00 21.61 O ATOM 178 CB LYS A 402 43.263 -0.134 32.306 1.00 26.74 C ATOM 179 CG LYS A 402 43.527 -0.516 33.753 1.00 31.20 C ATOM 180 CD LYS A 402 45.011 -0.655 34.035 1.00 34.47 C ATOM 181 CE LYS A 402 45.248 -1.294 35.394 1.00 36.54 C ATOM 182 NZ LYS A 402 46.699 -1.432 35.704 1.00 37.72 N ATOM 183 HZ1 LYS A 402 47.151 -2.028 34.982 1.00 0.00 H ATOM 184 HZ2 LYS A 402 47.143 -0.491 35.706 1.00 0.00 H ATOM 185 HZ3 LYS A 402 46.812 -1.872 36.639 1.00 0.00 H ATOM 186 H LYS A 402 42.122 1.820 33.477 1.00 0.00 H ATOM 187 N LYS A 403 42.166 2.109 30.115 1.00 21.39 N ATOM 188 CA LYS A 403 41.871 2.437 28.725 1.00 22.93 C ATOM 189 C LYS A 403 42.944 3.332 28.113 1.00 22.50 C ATOM 190 O LYS A 403 43.154 3.311 26.893 1.00 23.69 O ATOM 191 CB LYS A 403 40.487 3.090 28.659 1.00 25.22 C ATOM 192 CG LYS A 403 40.142 3.797 27.363 1.00 28.43 C ATOM 193 CD LYS A 403 38.742 4.396 27.433 1.00 29.94 C ATOM 194 CE LYS A 403 38.471 5.003 28.805 1.00 31.32 C ATOM 195 NZ LYS A 403 37.297 5.917 28.801 1.00 34.12 N ATOM 196 HZ1 LYS A 403 37.468 6.696 28.133 1.00 0.00 H ATOM 197 HZ2 LYS A 403 36.449 5.389 28.510 1.00 0.00 H ATOM 198 HZ3 LYS A 403 37.156 6.302 29.757 1.00 0.00 H ATOM 199 H LYS A 403 41.463 2.329 30.849 1.00 0.00 H ATOM 200 N HIS A 404 43.649 4.107 28.941 1.00 19.19 N ATOM 201 CA HIS A 404 44.724 4.980 28.485 1.00 17.69 C ATOM 202 C HIS A 404 46.087 4.563 29.031 1.00 16.65 C ATOM 203 O HIS A 404 46.988 5.404 29.127 1.00 15.61 O ATOM 204 CB HIS A 404 44.435 6.435 28.861 1.00 16.15 C ATOM 205 CG HIS A 404 43.122 6.942 28.352 1.00 16.87 C ATOM 206 ND1 HIS A 404 42.824 7.018 27.008 1.00 18.24 N ATOM 207 CD2 HIS A 404 42.030 7.404 29.006 1.00 17.80 C ATOM 208 CE1 HIS A 404 41.603 7.501 26.857 1.00 18.12 C ATOM 209 NE2 HIS A 404 41.100 7.744 28.054 1.00 18.58 N ATOM 210 H HIS A 404 43.421 4.087 29.956 1.00 0.00 H ATOM 211 N TYR A 405 46.259 3.281 29.378 1.00 17.01 N ATOM 212 CA TYR A 405 47.488 2.841 30.037 1.00 17.64 C ATOM 213 C TYR A 405 48.730 3.228 29.245 1.00 17.48 C ATOM 214 O TYR A 405 49.737 3.649 29.827 1.00 18.10 O ATOM 215 CB TYR A 405 47.468 1.328 30.279 1.00 19.98 C ATOM 216 CG TYR A 405 48.752 0.817 30.906 1.00 21.76 C ATOM 217 CD1 TYR A 405 48.925 0.821 32.284 1.00 22.69 C ATOM 218 CD2 TYR A 405 49.799 0.350 30.117 1.00 22.70 C ATOM 219 CE1 TYR A 405 50.098 0.368 32.861 1.00 24.23 C ATOM 220 CE2 TYR A 405 50.977 -0.102 30.686 1.00 23.75 C ATOM 221 CZ TYR A 405 51.119 -0.092 32.057 1.00 24.61 C ATOM 222 OH TYR A 405 52.290 -0.543 32.626 1.00 26.33 O ATOM 223 HH TYR A 405 52.227 -0.468 33.611 1.00 0.00 H ATOM 224 H TYR A 405 45.509 2.589 29.176 1.00 0.00 H ATOM 225 N ASN A 406 48.673 3.098 27.916 1.00 17.85 N ATOM 226 CA ASN A 406 49.851 3.321 27.085 1.00 19.50 C ATOM 227 C ASN A 406 50.428 4.720 27.240 1.00 18.42 C ATOM 228 O ASN A 406 51.612 4.923 26.951 1.00 18.87 O ATOM 229 CB ASN A 406 49.529 3.047 25.614 1.00 22.09 C ATOM 230 CG ASN A 406 49.443 1.567 25.305 1.00 25.86 C ATOM 231 OD1 ASN A 406 49.652 0.728 26.180 1.00 25.99 O ATOM 232 ND2 ASN A 406 49.129 1.239 24.057 1.00 28.66 N ATOM 233 HD22 ASN A 406 48.961 1.983 23.350 1.00 0.00 H ATOM 234 HD21 ASN A 406 49.051 0.238 23.786 1.00 0.00 H ATOM 235 H ASN A 406 47.773 2.833 27.467 1.00 0.00 H ATOM 236 N TYR A 407 49.634 5.692 27.690 1.00 17.53 N ATOM 237 CA TYR A 407 50.163 7.032 27.891 1.00 18.83 C ATOM 238 C TYR A 407 49.935 7.627 29.274 1.00 15.60 C ATOM 239 O TYR A 407 50.334 8.774 29.497 1.00 18.05 O ATOM 240 CB TYR A 407 49.715 8.010 26.787 1.00 25.97 C ATOM 241 CG TYR A 407 48.314 7.811 26.251 1.00 30.26 C ATOM 242 CD1 TYR A 407 47.245 8.543 26.752 1.00 33.32 C ATOM 243 CD2 TYR A 407 48.066 6.912 25.221 1.00 33.66 C ATOM 244 CE1 TYR A 407 45.965 8.372 26.254 1.00 35.01 C ATOM 245 CE2 TYR A 407 46.790 6.733 24.718 1.00 35.49 C ATOM 246 CZ TYR A 407 45.743 7.466 25.238 1.00 36.27 C ATOM 247 OH TYR A 407 44.471 7.293 24.742 1.00 37.32 O ATOM 248 HH TYR A 407 43.846 7.892 25.223 1.00 0.00 H ATOM 249 H TYR A 407 48.635 5.492 27.898 1.00 0.00 H ATOM 250 N ASN A 408 49.339 6.891 30.217 1.00 12.81 N ATOM 251 CA ASN A 408 49.180 7.418 31.567 1.00 11.59 C ATOM 252 C ASN A 408 50.059 6.755 32.619 1.00 11.42 C ATOM 253 O ASN A 408 50.191 7.307 33.715 1.00 13.20 O ATOM 254 CB ASN A 408 47.702 7.446 32.012 1.00 13.09 C ATOM 255 CG ASN A 408 47.100 6.060 32.232 1.00 14.55 C ATOM 256 OD1 ASN A 408 47.799 5.057 32.396 1.00 15.13 O ATOM 257 ND2 ASN A 408 45.774 6.012 32.259 1.00 15.20 N ATOM 258 HD22 ASN A 408 45.219 6.880 32.116 1.00 0.00 H ATOM 259 HD21 ASN A 408 45.290 5.106 32.423 1.00 0.00 H ATOM 260 H ASN A 408 48.988 5.940 29.987 1.00 0.00 H ATOM 261 N PHE A 409 50.679 5.613 32.319 1.00 12.32 N ATOM 262 CA PHE A 409 51.420 4.898 33.358 1.00 12.27 C ATOM 263 C PHE A 409 52.550 5.698 34.009 1.00 12.94 C ATOM 264 O PHE A 409 52.752 5.531 35.225 1.00 13.21 O ATOM 265 CB PHE A 409 51.829 3.484 32.907 1.00 14.60 C ATOM 266 CG PHE A 409 52.998 3.447 31.962 1.00 16.65 C ATOM 267 CD1 PHE A 409 54.301 3.470 32.442 1.00 17.46 C ATOM 268 CD2 PHE A 409 52.795 3.359 30.595 1.00 17.41 C ATOM 269 CE1 PHE A 409 55.376 3.432 31.571 1.00 17.57 C ATOM 270 CE2 PHE A 409 53.864 3.315 29.720 1.00 19.26 C ATOM 271 CZ PHE A 409 55.156 3.352 30.207 1.00 18.34 C ATOM 272 H PHE A 409 50.636 5.233 31.352 1.00 0.00 H ATOM 273 N PRO A 410 53.303 6.561 33.310 1.00 12.45 N ATOM 274 CA PRO A 410 54.335 7.347 34.010 1.00 12.38 C ATOM 275 C PRO A 410 53.783 8.383 34.974 1.00 12.18 C ATOM 276 O PRO A 410 54.557 8.918 35.779 1.00 13.27 O ATOM 277 CB PRO A 410 55.104 8.026 32.866 1.00 13.20 C ATOM 278 CG PRO A 410 54.809 7.210 31.664 1.00 12.33 C ATOM 279 CD PRO A 410 53.394 6.762 31.851 1.00 12.19 C ATOM 280 N PHE A 411 52.485 8.681 34.930 1.00 11.60 N ATOM 281 CA PHE A 411 51.917 9.799 35.674 1.00 11.44 C ATOM 282 C PHE A 411 50.941 9.365 36.764 1.00 11.64 C ATOM 283 O PHE A 411 50.294 10.221 37.378 1.00 12.57 O ATOM 284 CB PHE A 411 51.244 10.782 34.711 1.00 12.36 C ATOM 285 CG PHE A 411 52.056 11.068 33.478 1.00 10.48 C ATOM 286 CD1 PHE A 411 53.220 11.816 33.560 1.00 10.29 C ATOM 287 CD2 PHE A 411 51.660 10.584 32.240 1.00 11.43 C ATOM 288 CE1 PHE A 411 53.974 12.078 32.428 1.00 13.01 C ATOM 289 CE2 PHE A 411 52.408 10.844 31.104 1.00 13.83 C ATOM 290 CZ PHE A 411 53.569 11.592 31.200 1.00 13.31 C ATOM 291 H PHE A 411 51.855 8.096 34.345 1.00 0.00 H ATOM 292 N LEU A 412 50.823 8.061 37.027 1.00 11.84 N ATOM 293 CA LEU A 412 49.837 7.580 37.989 1.00 13.23 C ATOM 294 C LEU A 412 50.263 7.808 39.434 1.00 14.43 C ATOM 295 O LEU A 412 49.404 7.953 40.309 1.00 16.15 O ATOM 296 CB LEU A 412 49.556 6.095 37.759 1.00 14.83 C ATOM 297 CG LEU A 412 48.988 5.727 36.390 1.00 17.11 C ATOM 298 CD1 LEU A 412 48.892 4.216 36.241 1.00 18.55 C ATOM 299 CD2 LEU A 412 47.630 6.382 36.191 1.00 17.32 C ATOM 300 H LEU A 412 51.441 7.381 36.541 1.00 0.00 H ATOM 301 N ALA A 413 51.560 7.833 39.705 1.00 14.33 N ATOM 302 CA ALA A 413 52.096 7.983 41.048 1.00 14.62 C ATOM 303 C ALA A 413 53.283 8.930 40.972 1.00 14.94 C ATOM 304 O ALA A 413 53.800 9.187 39.881 1.00 14.39 O ATOM 305 CB ALA A 413 52.548 6.623 41.595 1.00 13.84 C ATOM 306 H ALA A 413 52.230 7.740 38.915 1.00 0.00 H ATOM 307 N PRO A 414 53.723 9.479 42.109 1.00 13.81 N ATOM 308 CA PRO A 414 54.890 10.371 42.086 1.00 14.02 C ATOM 309 C PRO A 414 56.076 9.726 41.383 1.00 14.88 C ATOM 310 O PRO A 414 56.297 8.516 41.477 1.00 16.58 O ATOM 311 CB PRO A 414 55.180 10.606 43.572 1.00 15.45 C ATOM 312 CG PRO A 414 53.856 10.464 44.229 1.00 15.90 C ATOM 313 CD PRO A 414 53.134 9.390 43.460 1.00 14.13 C ATOM 314 N VAL A 415 56.834 10.552 40.657 1.00 14.24 N ATOM 315 CA VAL A 415 58.012 10.062 39.950 1.00 14.71 C ATOM 316 C VAL A 415 58.971 9.418 40.941 1.00 15.37 C ATOM 317 O VAL A 415 59.313 10.005 41.975 1.00 17.01 O ATOM 318 CB VAL A 415 58.677 11.210 39.175 1.00 16.05 C ATOM 319 CG1 VAL A 415 59.955 10.732 38.509 1.00 18.27 C ATOM 320 CG2 VAL A 415 57.710 11.782 38.140 1.00 15.06 C ATOM 321 H VAL A 415 56.581 11.559 40.595 1.00 0.00 H ATOM 322 N ASP A 416 59.394 8.192 40.636 1.00 16.90 N ATOM 323 CA ASP A 416 60.312 7.439 41.491 1.00 16.31 C ATOM 324 C ASP A 416 61.727 7.760 41.026 1.00 17.45 C ATOM 325 O ASP A 416 62.295 7.079 40.171 1.00 18.57 O ATOM 326 CB ASP A 416 60.011 5.949 41.401 1.00 19.94 C ATOM 327 CG ASP A 416 60.720 5.140 42.470 1.00 22.18 C ATOM 328 OD1 ASP A 416 61.729 5.622 43.029 1.00 22.67 O ATOM 329 OD2 ASP A 416 60.267 4.010 42.745 1.00 24.81 O ATOM 330 H ASP A 416 59.058 7.753 39.755 1.00 0.00 H ATOM 331 N THR A 417 62.305 8.814 41.610 1.00 17.51 N ATOM 332 CA THR A 417 63.593 9.318 41.141 1.00 18.58 C ATOM 333 C THR A 417 64.732 8.349 41.429 1.00 18.10 C ATOM 334 O THR A 417 65.733 8.347 40.706 1.00 19.96 O ATOM 335 CB THR A 417 63.879 10.688 41.756 1.00 19.14 C ATOM 336 OG1 THR A 417 64.027 10.558 43.176 1.00 20.91 O ATOM 337 CG2 THR A 417 62.739 11.647 41.460 1.00 19.20 C ATOM 338 HG1 THR A 417 64.779 9.945 43.374 1.00 0.00 H ATOM 339 H THR A 417 61.831 9.282 42.409 1.00 0.00 H ATOM 340 N VAL A 418 64.607 7.529 42.474 1.00 18.11 N ATOM 341 CA VAL A 418 65.637 6.535 42.759 1.00 20.26 C ATOM 342 C VAL A 418 65.580 5.400 41.743 1.00 20.76 C ATOM 343 O VAL A 418 66.604 5.003 41.173 1.00 21.62 O ATOM 344 CB VAL A 418 65.517 6.024 44.206 1.00 20.91 C ATOM 345 CG1 VAL A 418 66.436 4.829 44.427 1.00 20.87 C ATOM 346 CG2 VAL A 418 65.844 7.138 45.182 1.00 23.34 C ATOM 347 H VAL A 418 63.771 7.598 43.089 1.00 0.00 H ATOM 348 N ALA A 419 64.380 4.863 41.499 1.00 21.85 N ATOM 349 CA ALA A 419 64.239 3.767 40.546 1.00 22.95 C ATOM 350 C ALA A 419 64.593 4.201 39.131 1.00 23.81 C ATOM 351 O ALA A 419 65.116 3.400 38.348 1.00 26.72 O ATOM 352 CB ALA A 419 62.816 3.209 40.589 1.00 23.42 C ATOM 353 H ALA A 419 63.541 5.229 41.992 1.00 0.00 H ATOM 354 N LEU A 420 64.325 5.456 38.785 1.00 19.95 N ATOM 355 CA LEU A 420 64.594 5.964 37.448 1.00 20.12 C ATOM 356 C LEU A 420 65.965 6.615 37.319 1.00 19.61 C ATOM 357 O LEU A 420 66.323 7.054 36.220 1.00 21.23 O ATOM 358 CB LEU A 420 63.495 6.940 37.022 1.00 19.44 C ATOM 359 CG LEU A 420 62.122 6.289 36.831 1.00 19.02 C ATOM 360 CD1 LEU A 420 61.050 7.340 36.581 1.00 19.62 C ATOM 361 CD2 LEU A 420 62.171 5.282 35.688 1.00 20.80 C ATOM 362 H LEU A 420 63.910 6.095 39.492 1.00 0.00 H ATOM 363 N ASN A 421 66.734 6.688 38.408 1.00 18.83 N ATOM 364 CA ASN A 421 68.103 7.207 38.373 1.00 20.81 C ATOM 365 C ASN A 421 68.142 8.659 37.898 1.00 20.61 C ATOM 366 O ASN A 421 68.976 9.043 37.074 1.00 22.23 O ATOM 367 CB ASN A 421 69.022 6.307 37.539 1.00 22.53 C ATOM 368 CG ASN A 421 70.493 6.569 37.795 1.00 25.87 C ATOM 369 OD1 ASN A 421 70.858 7.288 38.724 1.00 26.46 O ATOM 370 ND2 ASN A 421 71.348 5.976 36.970 1.00 27.71 N ATOM 371 HD22 ASN A 421 70.994 5.376 36.198 1.00 0.00 H ATOM 372 HD21 ASN A 421 72.371 6.111 37.096 1.00 0.00 H ATOM 373 H ASN A 421 66.346 6.364 39.317 1.00 0.00 H ATOM 374 N ILE A 422 67.230 9.476 38.420 1.00 17.94 N ATOM 375 CA ILE A 422 67.149 10.882 38.029 1.00 17.62 C ATOM 376 C ILE A 422 67.223 11.795 39.248 1.00 19.02 C ATOM 377 O ILE A 422 66.216 12.413 39.625 1.00 18.64 O ATOM 378 CB ILE A 422 65.911 11.165 37.161 1.00 17.91 C ATOM 379 CG1 ILE A 422 64.659 10.506 37.749 1.00 17.46 C ATOM 380 CG2 ILE A 422 66.150 10.686 35.745 1.00 17.19 C ATOM 381 CD1 ILE A 422 63.387 10.820 36.974 1.00 17.76 C ATOM 382 H ILE A 422 66.559 9.105 39.123 1.00 0.00 H ATOM 383 N PRO A 423 68.389 11.928 39.884 1.00 19.84 N ATOM 384 CA PRO A 423 68.503 12.876 41.002 1.00 20.84 C ATOM 385 C PRO A 423 68.272 14.320 40.593 1.00 21.06 C ATOM 386 O PRO A 423 68.015 15.162 41.463 1.00 23.29 O ATOM 387 CB PRO A 423 69.931 12.650 41.515 1.00 21.97 C ATOM 388 CG PRO A 423 70.666 12.104 40.338 1.00 21.01 C ATOM 389 CD PRO A 423 69.673 11.276 39.576 1.00 21.62 C ATOM 390 N ASN A 424 68.341 14.633 39.299 1.00 19.52 N ATOM 391 CA ASN A 424 68.130 15.997 38.833 1.00 18.68 C ATOM 392 C ASN A 424 66.658 16.365 38.688 1.00 17.90 C ATOM 393 O ASN A 424 66.354 17.547 38.497 1.00 17.90 O ATOM 394 CB ASN A 424 68.869 16.229 37.510 1.00 18.90 C ATOM 395 CG ASN A 424 68.428 15.275 36.414 1.00 21.75 C ATOM 396 OD1 ASN A 424 67.973 14.163 36.684 1.00 22.37 O ATOM 397 ND2 ASN A 424 68.568 15.708 35.165 1.00 23.51 N ATOM 398 HD22 ASN A 424 68.957 16.655 34.984 1.00 0.00 H ATOM 399 HD21 ASN A 424 68.288 15.100 34.369 1.00 0.00 H ATOM 400 H ASN A 424 68.550 13.886 38.606 1.00 0.00 H ATOM 401 N TYR A 425 65.747 15.392 38.772 1.00 17.19 N ATOM 402 CA TYR A 425 64.319 15.697 38.710 1.00 16.63 C ATOM 403 C TYR A 425 63.922 16.678 39.806 1.00 17.68 C ATOM 404 O TYR A 425 63.224 17.666 39.551 1.00 18.13 O ATOM 405 CB TYR A 425 63.504 14.404 38.810 1.00 15.85 C ATOM 406 CG TYR A 425 62.001 14.598 38.922 1.00 16.33 C ATOM 407 CD1 TYR A 425 61.215 14.789 37.792 1.00 17.35 C ATOM 408 CD2 TYR A 425 61.368 14.570 40.160 1.00 16.21 C ATOM 409 CE1 TYR A 425 59.838 14.958 37.896 1.00 16.52 C ATOM 410 CE2 TYR A 425 59.997 14.736 40.272 1.00 16.45 C ATOM 411 CZ TYR A 425 59.239 14.930 39.139 1.00 16.19 C ATOM 412 OH TYR A 425 57.873 15.095 39.251 1.00 17.26 O ATOM 413 HH TYR A 425 57.478 14.291 39.673 1.00 0.00 H ATOM 414 H TYR A 425 66.057 14.406 38.883 1.00 0.00 H ATOM 415 N ASN A 426 64.372 16.427 41.038 1.00 19.50 N ATOM 416 CA ASN A 426 64.052 17.329 42.137 1.00 22.72 C ATOM 417 C ASN A 426 64.802 18.651 42.039 1.00 23.47 C ATOM 418 O ASN A 426 64.388 19.634 42.663 1.00 25.27 O ATOM 419 CB ASN A 426 64.325 16.644 43.477 1.00 25.58 C ATOM 420 CG ASN A 426 63.375 15.492 43.743 1.00 29.93 C ATOM 421 OD1 ASN A 426 62.192 15.559 43.409 1.00 30.66 O ATOM 422 ND2 ASN A 426 63.890 14.426 44.344 1.00 31.11 N ATOM 423 HD22 ASN A 426 64.896 14.413 44.608 1.00 0.00 H ATOM 424 HD21 ASN A 426 63.288 13.604 44.550 1.00 0.00 H ATOM 425 H ASN A 426 64.954 15.583 41.214 1.00 0.00 H ATOM 426 N GLU A 427 65.888 18.698 41.268 1.00 22.07 N ATOM 427 CA GLU A 427 66.604 19.948 41.048 1.00 23.65 C ATOM 428 C GLU A 427 65.975 20.769 39.928 1.00 26.41 C ATOM 429 O GLU A 427 66.136 21.995 39.895 1.00 29.48 O ATOM 430 CB GLU A 427 68.071 19.649 40.735 1.00 23.67 C ATOM 431 CG GLU A 427 68.745 18.779 41.787 1.00 24.66 C ATOM 432 CD GLU A 427 70.064 18.190 41.322 1.00 25.77 C ATOM 433 OE1 GLU A 427 70.349 18.235 40.106 1.00 25.06 O ATOM 434 OE2 GLU A 427 70.815 17.677 42.178 1.00 27.17 O ATOM 435 H GLU A 427 66.231 17.827 40.815 1.00 0.00 H ATOM 436 N ILE A 428 65.258 20.118 39.020 1.00 24.27 N ATOM 437 CA ILE A 428 64.628 20.775 37.879 1.00 24.19 C ATOM 438 C ILE A 428 63.167 21.108 38.160 1.00 21.78 C ATOM 439 O ILE A 428 62.711 22.220 37.890 1.00 21.54 O ATOM 440 CB ILE A 428 64.778 19.895 36.618 1.00 24.16 C ATOM 441 CG1 ILE A 428 66.229 19.898 36.130 1.00 25.04 C ATOM 442 CG2 ILE A 428 63.816 20.334 35.525 1.00 26.24 C ATOM 443 CD1 ILE A 428 66.486 18.943 34.986 1.00 25.35 C ATOM 444 H ILE A 428 65.139 19.090 39.127 1.00 0.00 H ATOM 445 N VAL A 429 62.428 20.154 38.717 1.00 19.81 N ATOM 446 CA VAL A 429 60.987 20.264 38.917 1.00 17.21 C ATOM 447 C VAL A 429 60.756 20.644 40.375 1.00 19.13 C ATOM 448 O VAL A 429 60.882 19.809 41.275 1.00 20.89 O ATOM 449 CB VAL A 429 60.282 18.954 38.556 1.00 16.18 C ATOM 450 CG1 VAL A 429 58.804 19.037 38.879 1.00 15.59 C ATOM 451 CG2 VAL A 429 60.495 18.624 37.087 1.00 19.76 C ATOM 452 H VAL A 429 62.903 19.282 39.027 1.00 0.00 H ATOM 453 N LYS A 430 60.396 21.906 40.616 1.00 18.22 N ATOM 454 CA LYS A 430 60.232 22.400 41.978 1.00 20.42 C ATOM 455 C LYS A 430 58.856 22.125 42.569 1.00 18.70 C ATOM 456 O LYS A 430 58.709 22.170 43.796 1.00 19.42 O ATOM 457 CB LYS A 430 60.534 23.900 42.047 1.00 24.54 C ATOM 458 CG LYS A 430 61.952 24.255 41.634 1.00 29.34 C ATOM 459 CD LYS A 430 62.973 23.433 42.409 1.00 32.82 C ATOM 460 CE LYS A 430 64.391 23.795 42.005 1.00 35.14 C ATOM 461 NZ LYS A 430 65.407 23.058 42.806 1.00 36.60 N ATOM 462 HZ1 LYS A 430 65.287 23.289 43.813 1.00 0.00 H ATOM 463 HZ2 LYS A 430 65.281 22.035 42.667 1.00 0.00 H ATOM 464 HZ3 LYS A 430 66.360 23.337 42.496 1.00 0.00 H ATOM 465 H LYS A 430 60.229 22.550 39.817 1.00 0.00 H ATOM 466 N GLN A 431 57.850 21.845 41.739 1.00 16.36 N ATOM 467 CA GLN A 431 56.494 21.538 42.200 1.00 17.72 C ATOM 468 C GLN A 431 56.031 20.243 41.548 1.00 16.21 C ATOM 469 O GLN A 431 55.216 20.261 40.617 1.00 15.72 O ATOM 470 CB GLN A 431 55.526 22.679 41.880 1.00 20.74 C ATOM 471 CG GLN A 431 55.775 23.960 42.656 1.00 26.62 C ATOM 472 CD GLN A 431 54.767 25.040 42.319 1.00 31.50 C ATOM 473 OE1 GLN A 431 54.342 25.171 41.169 1.00 34.46 O ATOM 474 NE2 GLN A 431 54.371 25.816 43.321 1.00 32.57 N ATOM 475 HE22 GLN A 431 54.756 25.670 44.276 1.00 0.00 H ATOM 476 HE21 GLN A 431 53.675 26.570 43.151 1.00 0.00 H ATOM 477 H GLN A 431 58.037 21.845 40.716 1.00 0.00 H ATOM 478 N PRO A 432 56.520 19.096 42.020 1.00 15.16 N ATOM 479 CA PRO A 432 56.104 17.822 41.421 1.00 14.08 C ATOM 480 C PRO A 432 54.618 17.566 41.630 1.00 14.12 C ATOM 481 O PRO A 432 54.027 17.982 42.629 1.00 15.21 O ATOM 482 CB PRO A 432 56.953 16.786 42.166 1.00 16.01 C ATOM 483 CG PRO A 432 57.316 17.444 43.450 1.00 18.84 C ATOM 484 CD PRO A 432 57.460 18.903 43.137 1.00 16.94 C ATOM 485 N MET A 433 54.016 16.873 40.665 1.00 12.39 N ATOM 486 CA MET A 433 52.600 16.537 40.731 1.00 10.82 C ATOM 487 C MET A 433 52.344 15.308 39.867 1.00 12.04 C ATOM 488 O MET A 433 53.029 15.081 38.867 1.00 14.01 O ATOM 489 CB MET A 433 51.723 17.718 40.281 1.00 11.55 C ATOM 490 CG MET A 433 50.214 17.529 40.474 1.00 12.42 C ATOM 491 SD MET A 433 49.741 17.127 42.169 1.00 15.19 S ATOM 492 CE MET A 433 50.425 18.532 43.044 1.00 18.14 C ATOM 493 H MET A 433 54.572 16.563 39.842 1.00 0.00 H ATOM 494 N ASP A 434 51.353 14.516 40.272 1.00 11.11 N ATOM 495 CA ASP A 434 50.986 13.305 39.553 1.00 10.50 C ATOM 496 C ASP A 434 49.488 13.079 39.713 1.00 11.10 C ATOM 497 O ASP A 434 48.838 13.675 40.575 1.00 11.57 O ATOM 498 CB ASP A 434 51.772 12.099 40.070 1.00 12.12 C ATOM 499 CG ASP A 434 51.413 11.753 41.490 1.00 13.95 C ATOM 500 OD1 ASP A 434 50.547 10.877 41.684 1.00 16.55 O ATOM 501 OD2 ASP A 434 51.973 12.385 42.412 1.00 16.31 O ATOM 502 H ASP A 434 50.824 14.771 41.130 1.00 0.00 H ATOM 503 N LEU A 435 48.948 12.189 38.874 1.00 11.22 N ATOM 504 CA LEU A 435 47.502 11.979 38.843 1.00 11.87 C ATOM 505 C LEU A 435 46.992 11.354 40.136 1.00 11.25 C ATOM 506 O LEU A 435 45.894 11.690 40.601 1.00 12.59 O ATOM 507 CB LEU A 435 47.121 11.119 37.639 1.00 12.05 C ATOM 508 CG LEU A 435 47.487 11.693 36.269 1.00 12.52 C ATOM 509 CD1 LEU A 435 47.183 10.683 35.179 1.00 13.87 C ATOM 510 CD2 LEU A 435 46.764 13.009 36.003 1.00 14.32 C ATOM 511 H LEU A 435 49.562 11.641 38.238 1.00 0.00 H ATOM 512 N GLY A 436 47.762 10.434 40.721 1.00 11.45 N ATOM 513 CA GLY A 436 47.341 9.821 41.970 1.00 11.29 C ATOM 514 C GLY A 436 47.230 10.822 43.101 1.00 11.37 C ATOM 515 O GLY A 436 46.290 10.771 43.900 1.00 12.50 O ATOM 516 H GLY A 436 48.663 10.156 40.283 1.00 0.00 H ATOM 517 N THR A 437 48.182 11.756 43.175 1.00 11.13 N ATOM 518 CA THR A 437 48.114 12.807 44.184 1.00 13.32 C ATOM 519 C THR A 437 46.903 13.706 43.964 1.00 13.11 C ATOM 520 O THR A 437 46.232 14.101 44.924 1.00 13.06 O ATOM 521 CB THR A 437 49.412 13.615 44.176 1.00 13.91 C ATOM 522 OG1 THR A 437 50.509 12.758 44.521 1.00 15.97 O ATOM 523 CG2 THR A 437 49.340 14.772 45.166 1.00 16.20 C ATOM 524 HG1 THR A 437 50.360 12.380 45.424 1.00 0.00 H ATOM 525 H THR A 437 48.979 11.734 42.507 1.00 0.00 H ATOM 526 N ILE A 438 46.604 14.038 42.705 1.00 11.38 N ATOM 527 CA ILE A 438 45.417 14.836 42.404 1.00 10.92 C ATOM 528 C ILE A 438 44.153 14.110 42.845 1.00 10.87 C ATOM 529 O ILE A 438 43.246 14.711 43.441 1.00 11.13 O ATOM 530 CB ILE A 438 45.379 15.191 40.906 1.00 11.26 C ATOM 531 CG1 ILE A 438 46.516 16.151 40.552 1.00 12.07 C ATOM 532 CG2 ILE A 438 44.023 15.773 40.529 1.00 11.95 C ATOM 533 CD1 ILE A 438 46.682 16.351 39.062 1.00 11.15 C ATOM 534 H ILE A 438 47.223 13.725 41.930 1.00 0.00 H ATOM 535 N GLN A 439 44.061 12.812 42.544 1.00 10.71 N ATOM 536 CA GLN A 439 42.904 12.037 42.979 1.00 12.63 C ATOM 537 C GLN A 439 42.766 12.065 44.497 1.00 11.68 C ATOM 538 O GLN A 439 41.654 12.173 45.028 1.00 12.29 O ATOM 539 CB GLN A 439 43.022 10.603 42.471 1.00 14.01 C ATOM 540 CG GLN A 439 41.829 9.728 42.796 1.00 16.44 C ATOM 541 CD GLN A 439 41.931 8.358 42.160 1.00 21.31 C ATOM 542 OE1 GLN A 439 42.953 7.681 42.277 1.00 24.20 O ATOM 543 NE2 GLN A 439 40.872 7.944 41.477 1.00 24.33 N ATOM 544 HE22 GLN A 439 40.030 8.550 41.405 1.00 0.00 H ATOM 545 HE21 GLN A 439 40.884 7.013 41.013 1.00 0.00 H ATOM 546 H GLN A 439 44.817 12.352 41.998 1.00 0.00 H ATOM 547 N SER A 440 43.890 11.990 45.210 1.00 12.53 N ATOM 548 CA SER A 440 43.847 12.036 46.668 1.00 13.57 C ATOM 549 C SER A 440 43.447 13.420 47.170 1.00 13.55 C ATOM 550 O SER A 440 42.621 13.536 48.083 1.00 13.04 O ATOM 551 CB SER A 440 45.197 11.613 47.246 1.00 14.96 C ATOM 552 OG SER A 440 45.136 11.514 48.659 1.00 20.40 O ATOM 553 HG SER A 440 46.021 11.239 49.008 1.00 0.00 H ATOM 554 H SER A 440 44.805 11.898 44.723 1.00 0.00 H ATOM 555 N LYS A 441 44.023 14.479 46.591 1.00 12.35 N ATOM 556 CA LYS A 441 43.648 15.831 46.997 1.00 11.80 C ATOM 557 C LYS A 441 42.161 16.074 46.779 1.00 12.68 C ATOM 558 O LYS A 441 41.505 16.738 47.591 1.00 12.33 O ATOM 559 CB LYS A 441 44.476 16.867 46.236 1.00 12.08 C ATOM 560 CG LYS A 441 45.943 16.898 46.628 1.00 12.75 C ATOM 561 CD LYS A 441 46.731 17.924 45.822 1.00 15.10 C ATOM 562 CE LYS A 441 46.317 19.346 46.158 1.00 16.35 C ATOM 563 NZ LYS A 441 47.260 20.340 45.571 1.00 18.26 N ATOM 564 HZ1 LYS A 441 48.215 20.176 45.949 1.00 0.00 H ATOM 565 HZ2 LYS A 441 47.273 20.235 44.536 1.00 0.00 H ATOM 566 HZ3 LYS A 441 46.948 21.301 45.819 1.00 0.00 H ATOM 567 H LYS A 441 44.739 14.340 45.850 1.00 0.00 H ATOM 568 N LEU A 442 41.614 15.538 45.688 1.00 11.04 N ATOM 569 CA LEU A 442 40.187 15.671 45.421 1.00 11.74 C ATOM 570 C LEU A 442 39.364 14.950 46.482 1.00 12.68 C ATOM 571 O LEU A 442 38.396 15.504 47.019 1.00 14.82 O ATOM 572 CB LEU A 442 39.881 15.119 44.030 1.00 14.04 C ATOM 573 CG LEU A 442 38.473 15.338 43.491 1.00 16.12 C ATOM 574 CD1 LEU A 442 38.205 16.823 43.318 1.00 17.02 C ATOM 575 CD2 LEU A 442 38.315 14.600 42.174 1.00 16.64 C ATOM 576 H LEU A 442 42.214 15.017 45.017 1.00 0.00 H ATOM 577 N ALA A 443 39.741 13.708 46.801 1.00 12.48 N ATOM 578 CA ALA A 443 39.002 12.933 47.793 1.00 12.03 C ATOM 579 C ALA A 443 39.070 13.568 49.177 1.00 12.68 C ATOM 580 O ALA A 443 38.137 13.411 49.977 1.00 15.17 O ATOM 581 CB ALA A 443 39.528 11.498 47.836 1.00 14.38 C ATOM 582 H ALA A 443 40.572 13.288 46.336 1.00 0.00 H ATOM 583 N ASN A 444 40.151 14.291 49.477 1.00 12.05 N ATOM 584 CA ASN A 444 40.353 14.890 50.790 1.00 13.42 C ATOM 585 C ASN A 444 39.906 16.349 50.855 1.00 15.52 C ATOM 586 O ASN A 444 40.295 17.067 51.783 1.00 16.36 O ATOM 587 CB ASN A 444 41.810 14.736 51.236 1.00 14.30 C ATOM 588 CG ASN A 444 42.178 13.295 51.550 1.00 19.93 C ATOM 589 OD1 ASN A 444 41.667 12.703 52.502 1.00 25.45 O ATOM 590 ND2 ASN A 444 43.087 12.731 50.764 1.00 21.10 N ATOM 591 HD22 ASN A 444 43.493 13.267 49.971 1.00 0.00 H ATOM 592 HD21 ASN A 444 43.393 11.753 50.942 1.00 0.00 H ATOM 593 H ASN A 444 40.877 14.432 48.746 1.00 0.00 H ATOM 594 N ASN A 445 39.105 16.800 49.885 1.00 14.70 N ATOM 595 CA ASN A 445 38.477 18.126 49.906 1.00 15.07 C ATOM 596 C ASN A 445 39.498 19.262 49.818 1.00 16.34 C ATOM 597 O ASN A 445 39.348 20.296 50.471 1.00 18.60 O ATOM 598 CB ASN A 445 37.541 18.312 51.106 1.00 17.29 C ATOM 599 CG ASN A 445 36.566 19.459 50.913 1.00 20.66 C ATOM 600 OD1 ASN A 445 36.012 19.637 49.830 1.00 24.61 O ATOM 601 ND2 ASN A 445 36.365 20.252 51.961 1.00 19.83 N ATOM 602 HD22 ASN A 445 36.856 20.063 52.858 1.00 0.00 H ATOM 603 HD21 ASN A 445 35.717 21.062 51.884 1.00 0.00 H ATOM 604 H ASN A 445 38.917 16.179 49.073 1.00 0.00 H ATOM 605 N GLU A 446 40.531 19.088 48.998 1.00 15.50 N ATOM 606 CA GLU A 446 41.579 20.095 48.881 1.00 17.12 C ATOM 607 C GLU A 446 41.470 20.962 47.631 1.00 17.61 C ATOM 608 O GLU A 446 42.345 21.804 47.403 1.00 19.58 O ATOM 609 CB GLU A 446 42.968 19.456 48.978 1.00 17.45 C ATOM 610 CG GLU A 446 43.256 18.826 50.332 1.00 21.11 C ATOM 611 CD GLU A 446 44.733 18.808 50.656 1.00 26.38 C ATOM 612 OE1 GLU A 446 45.155 19.574 51.550 1.00 30.24 O ATOM 613 OE2 GLU A 446 45.473 18.041 50.008 1.00 28.08 O ATOM 614 H GLU A 446 40.592 18.219 48.431 1.00 0.00 H ATOM 615 N TYR A 447 40.428 20.790 46.822 1.00 17.01 N ATOM 616 CA TYR A 447 40.162 21.665 45.683 1.00 14.67 C ATOM 617 C TYR A 447 38.864 22.411 45.956 1.00 18.90 C ATOM 618 O TYR A 447 37.790 21.802 46.004 1.00 20.91 O ATOM 619 CB TYR A 447 40.070 20.870 44.382 1.00 14.23 C ATOM 620 CG TYR A 447 41.368 20.218 43.973 1.00 13.47 C ATOM 621 CD1 TYR A 447 42.502 20.981 43.709 1.00 12.84 C ATOM 622 CD2 TYR A 447 41.458 18.842 43.841 1.00 13.87 C ATOM 623 CE1 TYR A 447 43.693 20.382 43.334 1.00 13.00 C ATOM 624 CE2 TYR A 447 42.641 18.236 43.464 1.00 13.43 C ATOM 625 CZ TYR A 447 43.754 19.009 43.212 1.00 13.03 C ATOM 626 OH TYR A 447 44.933 18.403 42.838 1.00 14.83 O ATOM 627 HH TYR A 447 45.628 19.094 42.696 1.00 0.00 H ATOM 628 H TYR A 447 39.777 20.001 47.008 1.00 0.00 H ATOM 629 N GLU A 448 38.962 23.730 46.134 1.00 21.91 N ATOM 630 CA GLU A 448 37.779 24.531 46.422 1.00 25.34 C ATOM 631 C GLU A 448 36.940 24.816 45.182 1.00 27.06 C ATOM 632 O GLU A 448 35.756 25.143 45.315 1.00 28.08 O ATOM 633 CB GLU A 448 38.162 25.828 47.143 1.00 30.22 C ATOM 634 CG GLU A 448 39.298 26.600 46.496 1.00 34.60 C ATOM 635 CD GLU A 448 39.995 27.530 47.473 1.00 38.65 C ATOM 636 OE1 GLU A 448 39.397 27.853 48.521 1.00 39.51 O ATOM 637 OE2 GLU A 448 41.146 27.932 47.195 1.00 40.17 O ATOM 638 H GLU A 448 39.892 24.191 46.067 1.00 0.00 H ATOM 639 N ASN A 449 37.518 24.698 43.988 1.00 26.54 N ATOM 640 CA ASN A 449 36.752 24.824 42.755 1.00 28.70 C ATOM 641 C ASN A 449 37.474 24.070 41.646 1.00 26.42 C ATOM 642 O ASN A 449 38.595 23.584 41.823 1.00 24.90 O ATOM 643 CB ASN A 449 36.478 26.289 42.387 1.00 31.77 C ATOM 644 CG ASN A 449 37.746 27.095 42.187 1.00 34.38 C ATOM 645 OD1 ASN A 449 38.628 26.717 41.416 1.00 35.98 O ATOM 646 ND2 ASN A 449 37.842 28.221 42.883 1.00 35.98 N ATOM 647 HD22 ASN A 449 37.073 28.503 43.524 1.00 0.00 H ATOM 648 HD21 ASN A 449 38.686 28.821 42.788 1.00 0.00 H ATOM 649 H ASN A 449 38.540 24.512 43.934 1.00 0.00 H ATOM 650 N ALA A 450 36.810 23.981 40.490 1.00 27.82 N ATOM 651 CA ALA A 450 37.349 23.192 39.387 1.00 27.81 C ATOM 652 C ALA A 450 38.626 23.796 38.817 1.00 27.93 C ATOM 653 O ALA A 450 39.458 23.066 38.266 1.00 25.81 O ATOM 654 CB ALA A 450 36.294 23.026 38.291 1.00 29.06 C ATOM 655 H ALA A 450 35.903 24.477 40.376 1.00 0.00 H ATOM 656 N ASP A 451 38.803 25.114 38.941 1.00 29.29 N ATOM 657 CA ASP A 451 39.999 25.754 38.399 1.00 29.51 C ATOM 658 C ASP A 451 41.259 25.299 39.126 1.00 27.10 C ATOM 659 O ASP A 451 42.306 25.104 38.497 1.00 26.25 O ATOM 660 CB ASP A 451 39.857 27.277 38.450 1.00 32.30 C ATOM 661 CG ASP A 451 38.933 27.812 37.376 1.00 35.55 C ATOM 662 OD1 ASP A 451 38.912 27.237 36.267 1.00 37.66 O ATOM 663 OD2 ASP A 451 38.228 28.807 37.638 1.00 37.43 O ATOM 664 H ASP A 451 38.085 25.688 39.427 1.00 0.00 H ATOM 665 N ASP A 452 41.184 25.132 40.449 1.00 26.46 N ATOM 666 CA ASP A 452 42.335 24.630 41.195 1.00 26.82 C ATOM 667 C ASP A 452 42.659 23.193 40.805 1.00 20.71 C ATOM 668 O ASP A 452 43.834 22.809 40.738 1.00 19.17 O ATOM 669 CB ASP A 452 42.069 24.730 42.697 1.00 30.79 C ATOM 670 CG ASP A 452 41.943 26.163 43.173 1.00 35.52 C ATOM 671 OD1 ASP A 452 40.834 26.729 43.081 1.00 37.61 O ATOM 672 OD2 ASP A 452 42.953 26.724 43.648 1.00 37.43 O ATOM 673 H ASP A 452 40.302 25.360 40.950 1.00 0.00 H ATOM 674 N PHE A 453 41.625 22.385 40.560 1.00 19.05 N ATOM 675 CA PHE A 453 41.825 21.029 40.061 1.00 16.60 C ATOM 676 C PHE A 453 42.531 21.048 38.711 1.00 14.56 C ATOM 677 O PHE A 453 43.504 20.314 38.494 1.00 14.30 O ATOM 678 CB PHE A 453 40.465 20.330 39.972 1.00 16.00 C ATOM 679 CG PHE A 453 40.489 19.008 39.253 1.00 16.95 C ATOM 680 CD1 PHE A 453 40.106 18.924 37.922 1.00 17.15 C ATOM 681 CD2 PHE A 453 40.857 17.847 39.915 1.00 16.27 C ATOM 682 CE1 PHE A 453 40.109 17.710 37.258 1.00 17.67 C ATOM 683 CE2 PHE A 453 40.863 16.627 39.253 1.00 17.58 C ATOM 684 CZ PHE A 453 40.488 16.560 37.923 1.00 17.69 C ATOM 685 H PHE A 453 40.658 22.729 40.728 1.00 0.00 H ATOM 686 N GLU A 454 42.070 21.907 37.797 1.00 15.74 N ATOM 687 CA GLU A 454 42.694 21.988 36.479 1.00 16.66 C ATOM 688 C GLU A 454 44.152 22.422 36.576 1.00 16.73 C ATOM 689 O GLU A 454 45.006 21.913 35.841 1.00 17.87 O ATOM 690 CB GLU A 454 41.919 22.935 35.561 1.00 19.66 C ATOM 691 CG GLU A 454 42.614 23.138 34.217 1.00 19.72 C ATOM 692 CD GLU A 454 41.896 24.099 33.295 1.00 25.92 C ATOM 693 OE1 GLU A 454 40.857 24.662 33.699 1.00 26.21 O ATOM 694 OE2 GLU A 454 42.380 24.289 32.158 1.00 28.73 O ATOM 695 H GLU A 454 41.262 22.521 38.025 1.00 0.00 H ATOM 696 N LYS A 455 44.458 23.359 37.477 1.00 17.01 N ATOM 697 CA LYS A 455 45.832 23.839 37.601 1.00 17.49 C ATOM 698 C LYS A 455 46.790 22.703 37.945 1.00 15.77 C ATOM 699 O LYS A 455 47.904 22.637 37.409 1.00 15.60 O ATOM 700 CB LYS A 455 45.907 24.954 38.644 1.00 19.79 C ATOM 701 CG LYS A 455 47.249 25.664 38.697 1.00 25.99 C ATOM 702 CD LYS A 455 47.284 26.699 39.810 1.00 30.39 C ATOM 703 CE LYS A 455 48.666 27.323 39.938 1.00 32.91 C ATOM 704 NZ LYS A 455 48.785 28.154 41.169 1.00 34.68 N ATOM 705 HZ1 LYS A 455 48.082 28.919 41.138 1.00 0.00 H ATOM 706 HZ2 LYS A 455 48.616 27.559 42.005 1.00 0.00 H ATOM 707 HZ3 LYS A 455 49.741 28.561 41.220 1.00 0.00 H ATOM 708 H LYS A 455 43.716 23.748 38.092 1.00 0.00 H ATOM 709 N ASP A 456 46.370 21.790 38.825 1.00 14.40 N ATOM 710 CA ASP A 456 47.226 20.662 39.182 1.00 12.74 C ATOM 711 C ASP A 456 47.367 19.676 38.027 1.00 12.38 C ATOM 712 O ASP A 456 48.453 19.127 37.806 1.00 11.96 O ATOM 713 CB ASP A 456 46.696 19.962 40.434 1.00 14.31 C ATOM 714 CG ASP A 456 47.320 20.492 41.712 1.00 15.65 C ATOM 715 OD1 ASP A 456 48.116 21.454 41.645 1.00 18.65 O ATOM 716 OD2 ASP A 456 47.006 19.945 42.790 1.00 15.65 O ATOM 717 H ASP A 456 45.429 21.883 39.258 1.00 0.00 H ATOM 718 N VAL A 457 46.280 19.419 37.295 1.00 12.56 N ATOM 719 CA VAL A 457 46.367 18.538 36.131 1.00 12.21 C ATOM 720 C VAL A 457 47.347 19.107 35.111 1.00 12.32 C ATOM 721 O VAL A 457 48.218 18.396 34.593 1.00 12.34 O ATOM 722 CB VAL A 457 44.971 18.305 35.521 1.00 13.04 C ATOM 723 CG1 VAL A 457 45.075 17.448 34.265 1.00 13.55 C ATOM 724 CG2 VAL A 457 44.050 17.656 36.540 1.00 14.48 C ATOM 725 H VAL A 457 45.368 19.847 37.554 1.00 0.00 H ATOM 726 N ARG A 458 47.227 20.406 34.820 1.00 12.06 N ATOM 727 CA ARG A 458 48.150 21.045 33.886 1.00 12.58 C ATOM 728 C ARG A 458 49.588 20.981 34.386 1.00 13.33 C ATOM 729 O ARG A 458 50.520 20.887 33.579 1.00 15.39 O ATOM 730 CB ARG A 458 47.742 22.501 33.656 1.00 14.73 C ATOM 731 CG ARG A 458 46.344 22.697 33.095 1.00 17.05 C ATOM 732 CD ARG A 458 46.255 22.311 31.632 1.00 19.76 C ATOM 733 NE ARG A 458 44.919 22.559 31.095 1.00 21.46 N ATOM 734 CZ ARG A 458 44.479 22.070 29.942 1.00 22.05 C ATOM 735 NH1 ARG A 458 45.270 21.304 29.204 1.00 22.94 N ATOM 736 NH2 ARG A 458 43.248 22.341 29.531 1.00 23.18 N ATOM 737 HE ARG A 458 44.273 23.155 31.650 1.00 0.00 H ATOM 738 HH12 ARG A 458 44.927 20.920 28.300 1.00 0.00 H ATOM 739 HH11 ARG A 458 46.234 21.087 29.529 1.00 0.00 H ATOM 740 HH22 ARG A 458 42.905 21.957 28.627 1.00 0.00 H ATOM 741 HH21 ARG A 458 42.625 22.938 30.112 1.00 0.00 H ATOM 742 H ARG A 458 46.470 20.966 35.262 1.00 0.00 H ATOM 743 N LEU A 459 49.785 21.035 35.706 1.00 12.56 N ATOM 744 CA LEU A 459 51.132 20.995 36.268 1.00 13.03 C ATOM 745 C LEU A 459 51.809 19.658 35.994 1.00 12.36 C ATOM 746 O LEU A 459 53.023 19.609 35.750 1.00 12.73 O ATOM 747 CB LEU A 459 51.068 21.279 37.768 1.00 14.84 C ATOM 748 CG LEU A 459 52.372 21.263 38.563 1.00 15.20 C ATOM 749 CD1 LEU A 459 53.372 22.263 37.993 1.00 15.23 C ATOM 750 CD2 LEU A 459 52.082 21.556 40.027 1.00 14.77 C ATOM 751 H LEU A 459 48.966 21.107 36.343 1.00 0.00 H ATOM 752 N VAL A 460 51.042 18.563 36.031 1.00 11.42 N ATOM 753 CA VAL A 460 51.582 17.253 35.666 1.00 10.45 C ATOM 754 C VAL A 460 52.226 17.319 34.290 1.00 10.08 C ATOM 755 O VAL A 460 53.358 16.866 34.084 1.00 11.74 O ATOM 756 CB VAL A 460 50.477 16.181 35.718 1.00 11.06 C ATOM 757 CG1 VAL A 460 50.988 14.847 35.170 1.00 13.42 C ATOM 758 CG2 VAL A 460 49.954 16.015 37.135 1.00 12.82 C ATOM 759 H VAL A 460 50.047 18.644 36.323 1.00 0.00 H ATOM 760 N PHE A 461 51.522 17.920 33.333 1.00 11.07 N ATOM 761 CA PHE A 461 52.014 17.949 31.963 1.00 12.31 C ATOM 762 C PHE A 461 53.128 18.976 31.779 1.00 12.06 C ATOM 763 O PHE A 461 54.092 18.712 31.055 1.00 11.99 O ATOM 764 CB PHE A 461 50.850 18.148 30.993 1.00 13.84 C ATOM 765 CG PHE A 461 49.807 17.070 31.091 1.00 15.31 C ATOM 766 CD1 PHE A 461 50.144 15.744 30.859 1.00 16.45 C ATOM 767 CD2 PHE A 461 48.497 17.374 31.425 1.00 16.90 C ATOM 768 CE1 PHE A 461 49.193 14.742 30.954 1.00 17.27 C ATOM 769 CE2 PHE A 461 47.541 16.376 31.518 1.00 18.04 C ATOM 770 CZ PHE A 461 47.890 15.060 31.283 1.00 18.36 C ATOM 771 H PHE A 461 50.615 18.372 33.566 1.00 0.00 H ATOM 772 N LYS A 462 53.029 20.137 32.441 1.00 12.13 N ATOM 773 CA LYS A 462 54.120 21.110 32.396 1.00 13.99 C ATOM 774 C LYS A 462 55.429 20.484 32.863 1.00 14.41 C ATOM 775 O LYS A 462 56.475 20.651 32.224 1.00 14.26 O ATOM 776 CB LYS A 462 53.792 22.319 33.276 1.00 17.32 C ATOM 777 CG LYS A 462 52.566 23.114 32.884 1.00 23.31 C ATOM 778 CD LYS A 462 52.201 24.073 34.012 1.00 28.46 C ATOM 779 CE LYS A 462 50.706 24.325 34.076 1.00 32.90 C ATOM 780 NZ LYS A 462 50.237 24.512 35.481 1.00 35.04 N ATOM 781 HZ1 LYS A 462 50.449 23.656 36.033 1.00 0.00 H ATOM 782 HZ2 LYS A 462 50.725 25.328 35.903 1.00 0.00 H ATOM 783 HZ3 LYS A 462 49.211 24.682 35.483 1.00 0.00 H ATOM 784 H LYS A 462 52.171 20.347 32.990 1.00 0.00 H ATOM 785 N ASN A 463 55.392 19.778 33.996 1.00 11.72 N ATOM 786 CA ASN A 463 56.596 19.127 34.503 1.00 12.50 C ATOM 787 C ASN A 463 57.085 18.058 33.537 1.00 12.42 C ATOM 788 O ASN A 463 58.296 17.889 33.344 1.00 12.65 O ATOM 789 CB ASN A 463 56.324 18.518 35.878 1.00 11.46 C ATOM 790 CG ASN A 463 56.027 19.562 36.937 1.00 12.51 C ATOM 791 OD1 ASN A 463 56.407 20.727 36.809 1.00 14.81 O ATOM 792 ND2 ASN A 463 55.357 19.140 38.003 1.00 14.30 N ATOM 793 HD22 ASN A 463 55.056 18.147 38.068 1.00 0.00 H ATOM 794 HD21 ASN A 463 55.133 19.803 38.773 1.00 0.00 H ATOM 795 H ASN A 463 54.498 19.691 34.521 1.00 0.00 H ATOM 796 N CYS A 464 56.153 17.325 32.922 1.00 11.53 N ATOM 797 CA CYS A 464 56.522 16.316 31.935 1.00 11.94 C ATOM 798 C CYS A 464 57.300 16.937 30.782 1.00 12.69 C ATOM 799 O CYS A 464 58.373 16.449 30.407 1.00 12.54 O ATOM 800 CB CYS A 464 55.265 15.614 31.422 1.00 12.59 C ATOM 801 SG CYS A 464 55.554 14.464 30.057 1.00 13.93 S ATOM 802 H CYS A 464 55.150 17.476 33.150 1.00 0.00 H ATOM 803 N TYR A 465 56.777 18.028 30.212 1.00 12.53 N ATOM 804 CA TYR A 465 57.434 18.659 29.072 1.00 12.50 C ATOM 805 C TYR A 465 58.762 19.294 29.466 1.00 12.05 C ATOM 806 O TYR A 465 59.671 19.401 28.634 1.00 14.61 O ATOM 807 CB TYR A 465 56.512 19.711 28.456 1.00 14.83 C ATOM 808 CG TYR A 465 55.151 19.185 28.061 1.00 15.43 C ATOM 809 CD1 TYR A 465 55.000 17.903 27.543 1.00 16.96 C ATOM 810 CD2 TYR A 465 54.015 19.967 28.214 1.00 15.80 C ATOM 811 CE1 TYR A 465 53.756 17.421 27.184 1.00 16.35 C ATOM 812 CE2 TYR A 465 52.767 19.493 27.858 1.00 15.72 C ATOM 813 CZ TYR A 465 52.644 18.220 27.344 1.00 16.13 C ATOM 814 OH TYR A 465 51.403 17.746 26.990 1.00 19.06 O ATOM 815 HH TYR A 465 50.812 17.745 27.784 1.00 0.00 H ATOM 816 H TYR A 465 55.894 18.431 30.585 1.00 0.00 H ATOM 817 N LEU A 466 58.893 19.722 30.721 1.00 11.19 N ATOM 818 CA LEU A 466 60.151 20.310 31.163 1.00 12.77 C ATOM 819 C LEU A 466 61.232 19.248 31.317 1.00 13.06 C ATOM 820 O LEU A 466 62.377 19.455 30.903 1.00 13.65 O ATOM 821 CB LEU A 466 59.938 21.058 32.478 1.00 14.05 C ATOM 822 CG LEU A 466 61.184 21.723 33.055 1.00 16.28 C ATOM 823 CD1 LEU A 466 61.645 22.852 32.148 1.00 18.84 C ATOM 824 CD2 LEU A 466 60.908 22.224 34.460 1.00 18.39 C ATOM 825 H LEU A 466 58.097 19.636 31.385 1.00 0.00 H ATOM 826 N PHE A 467 60.890 18.100 31.900 1.00 12.58 N ATOM 827 CA PHE A 467 61.899 17.081 32.153 1.00 12.03 C ATOM 828 C PHE A 467 62.151 16.172 30.960 1.00 11.77 C ATOM 829 O PHE A 467 63.284 15.712 30.773 1.00 14.77 O ATOM 830 CB PHE A 467 61.524 16.233 33.371 1.00 12.32 C ATOM 831 CG PHE A 467 62.645 15.365 33.855 1.00 12.85 C ATOM 832 CD1 PHE A 467 63.657 15.903 34.634 1.00 14.30 C ATOM 833 CD2 PHE A 467 62.703 14.023 33.515 1.00 14.01 C ATOM 834 CE1 PHE A 467 64.705 15.115 35.078 1.00 16.15 C ATOM 835 CE2 PHE A 467 63.751 13.226 33.957 1.00 14.76 C ATOM 836 CZ PHE A 467 64.751 13.776 34.739 1.00 15.46 C ATOM 837 H PHE A 467 59.901 17.931 32.175 1.00 0.00 H ATOM 838 N ASN A 468 61.129 15.900 30.153 1.00 11.52 N ATOM 839 CA ASN A 468 61.252 14.982 29.027 1.00 12.10 C ATOM 840 C ASN A 468 61.276 15.773 27.728 1.00 13.09 C ATOM 841 O ASN A 468 60.255 16.377 27.360 1.00 12.85 O ATOM 842 CB ASN A 468 60.079 14.002 29.030 1.00 12.59 C ATOM 843 CG ASN A 468 60.018 13.177 30.301 1.00 12.78 C ATOM 844 OD1 ASN A 468 60.738 12.191 30.445 1.00 13.53 O ATOM 845 ND2 ASN A 468 59.158 13.580 31.231 1.00 12.68 N ATOM 846 HD22 ASN A 468 58.569 14.421 31.065 1.00 0.00 H ATOM 847 HD21 ASN A 468 59.074 13.055 32.125 1.00 0.00 H ATOM 848 H ASN A 468 60.212 16.357 30.331 1.00 0.00 H ATOM 849 N PRO A 469 62.396 15.799 27.006 1.00 14.63 N ATOM 850 CA PRO A 469 62.475 16.616 25.789 1.00 14.43 C ATOM 851 C PRO A 469 61.488 16.167 24.722 1.00 14.07 C ATOM 852 O PRO A 469 61.085 15.003 24.658 1.00 14.26 O ATOM 853 CB PRO A 469 63.920 16.410 25.318 1.00 16.09 C ATOM 854 CG PRO A 469 64.669 16.009 26.549 1.00 17.80 C ATOM 855 CD PRO A 469 63.695 15.202 27.362 1.00 16.01 C ATOM 856 N GLU A 470 61.097 17.124 23.880 1.00 15.02 N ATOM 857 CA GLU A 470 60.239 16.831 22.741 1.00 17.03 C ATOM 858 C GLU A 470 60.846 15.715 21.902 1.00 17.80 C ATOM 859 O GLU A 470 62.052 15.699 21.638 1.00 19.26 O ATOM 860 CB GLU A 470 60.089 18.094 21.888 1.00 17.33 C ATOM 861 CG GLU A 470 59.285 17.902 20.616 1.00 19.60 C ATOM 862 CD GLU A 470 57.793 17.791 20.867 1.00 21.96 C ATOM 863 OE1 GLU A 470 57.344 18.099 21.993 1.00 22.09 O ATOM 864 OE2 GLU A 470 57.069 17.402 19.929 1.00 23.56 O ATOM 865 H GLU A 470 61.412 18.102 24.041 1.00 0.00 H ATOM 866 N GLY A 471 60.004 14.765 21.499 1.00 19.04 N ATOM 867 CA GLY A 471 60.428 13.630 20.715 1.00 20.55 C ATOM 868 C GLY A 471 60.669 12.361 21.507 1.00 20.60 C ATOM 869 O GLY A 471 60.715 11.278 20.912 1.00 23.53 O ATOM 870 H GLY A 471 59.000 14.844 21.760 1.00 0.00 H ATOM 871 N THR A 472 60.827 12.461 22.826 1.00 15.34 N ATOM 872 CA THR A 472 61.041 11.276 23.643 1.00 12.99 C ATOM 873 C THR A 472 59.712 10.594 23.958 1.00 11.53 C ATOM 874 O THR A 472 58.636 11.181 23.826 1.00 12.69 O ATOM 875 CB THR A 472 61.781 11.627 24.936 1.00 14.63 C ATOM 876 OG1 THR A 472 60.993 12.536 25.718 1.00 14.74 O ATOM 877 CG2 THR A 472 63.122 12.267 24.618 1.00 14.76 C ATOM 878 HG1 THR A 472 60.832 13.363 25.198 1.00 0.00 H ATOM 879 H THR A 472 60.797 13.397 23.277 1.00 0.00 H ATOM 880 N ASP A 473 59.807 9.332 24.388 1.00 13.35 N ATOM 881 CA ASP A 473 58.615 8.507 24.566 1.00 15.22 C ATOM 882 C ASP A 473 57.682 9.087 25.626 1.00 13.92 C ATOM 883 O ASP A 473 56.469 9.196 25.409 1.00 13.35 O ATOM 884 CB ASP A 473 59.019 7.078 24.934 1.00 18.86 C ATOM 885 CG ASP A 473 59.756 6.366 23.813 1.00 27.46 C ATOM 886 OD1 ASP A 473 59.550 6.724 22.635 1.00 33.51 O ATOM 887 OD2 ASP A 473 60.540 5.440 24.113 1.00 32.31 O ATOM 888 H ASP A 473 60.743 8.932 24.599 1.00 0.00 H ATOM 889 N VAL A 474 58.229 9.458 26.788 1.00 13.20 N ATOM 890 CA VAL A 474 57.384 9.965 27.866 1.00 11.13 C ATOM 891 C VAL A 474 56.801 11.330 27.509 1.00 10.26 C ATOM 892 O VAL A 474 55.662 11.643 27.875 1.00 10.33 O ATOM 893 CB VAL A 474 58.155 9.969 29.202 1.00 11.14 C ATOM 894 CG1 VAL A 474 57.330 10.619 30.300 1.00 10.10 C ATOM 895 CG2 VAL A 474 58.545 8.546 29.602 1.00 12.94 C ATOM 896 H VAL A 474 59.257 9.386 26.925 1.00 0.00 H ATOM 897 N ASN A 475 57.559 12.157 26.785 1.00 11.64 N ATOM 898 CA ASN A 475 57.032 13.436 26.319 1.00 11.22 C ATOM 899 C ASN A 475 55.807 13.230 25.433 1.00 10.66 C ATOM 900 O ASN A 475 54.786 13.912 25.591 1.00 11.08 O ATOM 901 CB ASN A 475 58.130 14.197 25.571 1.00 10.53 C ATOM 902 CG ASN A 475 57.644 15.508 24.988 1.00 13.90 C ATOM 903 OD1 ASN A 475 56.995 15.529 23.946 1.00 15.99 O ATOM 904 ND2 ASN A 475 57.975 16.613 25.649 1.00 14.14 N ATOM 905 HD22 ASN A 475 58.526 16.547 26.528 1.00 0.00 H ATOM 906 HD21 ASN A 475 57.683 17.543 25.287 1.00 0.00 H ATOM 907 H ASN A 475 58.536 11.887 26.551 1.00 0.00 H ATOM 908 N MET A 476 55.887 12.281 24.498 1.00 10.65 N ATOM 909 CA MET A 476 54.750 12.008 23.627 1.00 13.14 C ATOM 910 C MET A 476 53.548 11.519 24.424 1.00 11.59 C ATOM 911 O MET A 476 52.405 11.885 24.123 1.00 12.41 O ATOM 912 CB MET A 476 55.147 10.999 22.552 1.00 17.20 C ATOM 913 CG MET A 476 56.303 11.462 21.678 1.00 24.89 C ATOM 914 SD MET A 476 56.524 10.462 20.196 1.00 33.69 S ATOM 915 CE MET A 476 54.945 10.715 19.399 1.00 33.75 C ATOM 916 H MET A 476 56.765 11.734 24.390 1.00 0.00 H ATOM 917 N MET A 477 53.788 10.699 25.452 1.00 12.00 N ATOM 918 CA MET A 477 52.693 10.240 26.300 1.00 12.26 C ATOM 919 C MET A 477 52.010 11.411 26.990 1.00 11.42 C ATOM 920 O MET A 477 50.777 11.448 27.095 1.00 13.65 O ATOM 921 CB MET A 477 53.216 9.251 27.339 1.00 13.16 C ATOM 922 CG MET A 477 53.799 7.991 26.745 1.00 14.71 C ATOM 923 SD MET A 477 54.616 6.980 27.993 1.00 18.81 S ATOM 924 CE MET A 477 55.091 5.573 27.002 1.00 19.42 C ATOM 925 H MET A 477 54.760 10.387 25.648 1.00 0.00 H ATOM 926 N GLY A 478 52.796 12.377 27.470 1.00 13.48 N ATOM 927 CA GLY A 478 52.212 13.551 28.098 1.00 13.19 C ATOM 928 C GLY A 478 51.309 14.323 27.156 1.00 11.77 C ATOM 929 O GLY A 478 50.195 14.710 27.520 1.00 13.34 O ATOM 930 H GLY A 478 53.830 12.290 27.395 1.00 0.00 H ATOM 931 N HIS A 479 51.776 14.550 25.925 1.00 11.69 N ATOM 932 CA HIS A 479 50.957 15.243 24.937 1.00 12.88 C ATOM 933 C HIS A 479 49.629 14.531 24.722 1.00 12.37 C ATOM 934 O HIS A 479 48.572 15.169 24.671 1.00 12.63 O ATOM 935 CB HIS A 479 51.701 15.323 23.606 1.00 12.52 C ATOM 936 CG HIS A 479 52.794 16.343 23.573 1.00 14.20 C ATOM 937 ND1 HIS A 479 52.549 17.700 23.590 1.00 15.65 N ATOM 938 CD2 HIS A 479 54.138 16.205 23.493 1.00 16.34 C ATOM 939 CE1 HIS A 479 53.696 18.353 23.538 1.00 16.21 C ATOM 940 NE2 HIS A 479 54.676 17.470 23.477 1.00 17.43 N ATOM 941 H HIS A 479 52.732 14.230 25.669 1.00 0.00 H ATOM 942 N ARG A 480 49.664 13.205 24.590 1.00 12.72 N ATOM 943 CA ARG A 480 48.452 12.476 24.238 1.00 14.50 C ATOM 944 C ARG A 480 47.496 12.375 25.417 1.00 13.12 C ATOM 945 O ARG A 480 46.275 12.409 25.231 1.00 14.42 O ATOM 946 CB ARG A 480 48.806 11.113 23.647 1.00 18.36 C ATOM 947 CG ARG A 480 49.483 11.276 22.299 1.00 23.07 C ATOM 948 CD ARG A 480 49.942 9.985 21.656 1.00 28.22 C ATOM 949 NE ARG A 480 50.756 10.294 20.483 1.00 31.92 N ATOM 950 CZ ARG A 480 51.124 9.414 19.558 1.00 35.42 C ATOM 951 NH1 ARG A 480 50.748 8.147 19.652 1.00 37.50 N ATOM 952 NH2 ARG A 480 51.866 9.807 18.531 1.00 35.90 N ATOM 953 HE ARG A 480 51.071 11.278 20.363 1.00 0.00 H ATOM 954 HH12 ARG A 480 51.039 7.463 18.925 1.00 0.00 H ATOM 955 HH11 ARG A 480 50.162 7.837 20.453 1.00 0.00 H ATOM 956 HH22 ARG A 480 52.155 9.120 17.806 1.00 0.00 H ATOM 957 HH21 ARG A 480 52.158 10.802 18.451 1.00 0.00 H ATOM 958 H ARG A 480 50.556 12.691 24.738 1.00 0.00 H ATOM 959 N LEU A 481 48.025 12.274 26.638 1.00 13.34 N ATOM 960 CA LEU A 481 47.144 12.258 27.799 1.00 13.21 C ATOM 961 C LEU A 481 46.528 13.631 28.039 1.00 12.85 C ATOM 962 O LEU A 481 45.354 13.732 28.419 1.00 14.10 O ATOM 963 CB LEU A 481 47.890 11.763 29.037 1.00 14.16 C ATOM 964 CG LEU A 481 46.962 11.391 30.194 1.00 13.57 C ATOM 965 CD1 LEU A 481 46.019 10.264 29.782 1.00 16.15 C ATOM 966 CD2 LEU A 481 47.763 11.009 31.430 1.00 14.96 C ATOM 967 H LEU A 481 49.056 12.207 26.760 1.00 0.00 H ATOM 968 N GLU A 482 47.299 14.702 27.818 1.00 13.80 N ATOM 969 CA GLU A 482 46.732 16.041 27.950 1.00 14.53 C ATOM 970 C GLU A 482 45.644 16.289 26.913 1.00 15.74 C ATOM 971 O GLU A 482 44.697 17.039 27.176 1.00 17.02 O ATOM 972 CB GLU A 482 47.817 17.118 27.874 1.00 16.01 C ATOM 973 CG GLU A 482 47.288 18.511 28.218 1.00 17.13 C ATOM 974 CD GLU A 482 48.380 19.544 28.403 1.00 19.72 C ATOM 975 OE1 GLU A 482 49.451 19.400 27.782 1.00 19.32 O ATOM 976 OE2 GLU A 482 48.164 20.503 29.177 1.00 23.38 O ATOM 977 H GLU A 482 48.298 14.581 27.553 1.00 0.00 H ATOM 978 N ALA A 483 45.753 15.663 25.738 1.00 15.73 N ATOM 979 CA ALA A 483 44.686 15.768 24.748 1.00 15.72 C ATOM 980 C ALA A 483 43.415 15.075 25.227 1.00 15.40 C ATOM 981 O ALA A 483 42.303 15.546 24.953 1.00 16.51 O ATOM 982 CB ALA A 483 45.150 15.189 23.411 1.00 17.50 C ATOM 983 H ALA A 483 46.601 15.099 25.528 1.00 0.00 H ATOM 984 N VAL A 484 43.558 13.953 25.936 1.00 15.04 N ATOM 985 CA VAL A 484 42.401 13.304 26.547 1.00 15.66 C ATOM 986 C VAL A 484 41.747 14.232 27.562 1.00 15.82 C ATOM 987 O VAL A 484 40.515 14.351 27.620 1.00 17.78 O ATOM 988 CB VAL A 484 42.813 11.961 27.178 1.00 17.84 C ATOM 989 CG1 VAL A 484 41.658 11.359 27.969 1.00 18.25 C ATOM 990 CG2 VAL A 484 43.295 10.998 26.104 1.00 17.54 C ATOM 991 H VAL A 484 44.504 13.536 26.055 1.00 0.00 H ATOM 992 N PHE A 485 42.562 14.909 28.374 1.00 15.34 N ATOM 993 CA PHE A 485 42.027 15.858 29.344 1.00 15.58 C ATOM 994 C PHE A 485 41.318 17.015 28.649 1.00 15.95 C ATOM 995 O PHE A 485 40.217 17.411 29.046 1.00 18.02 O ATOM 996 CB PHE A 485 43.152 16.366 30.247 1.00 14.65 C ATOM 997 CG PHE A 485 42.716 17.420 31.225 1.00 16.10 C ATOM 998 CD1 PHE A 485 41.871 17.102 32.277 1.00 15.99 C ATOM 999 CD2 PHE A 485 43.156 18.728 31.096 1.00 17.01 C ATOM 1000 CE1 PHE A 485 41.467 18.070 33.180 1.00 16.65 C ATOM 1001 CE2 PHE A 485 42.758 19.701 31.994 1.00 18.17 C ATOM 1002 CZ PHE A 485 41.912 19.371 33.040 1.00 16.84 C ATOM 1003 H PHE A 485 43.589 14.758 28.314 1.00 0.00 H ATOM 1004 N ASP A 486 41.933 17.563 27.595 1.00 17.80 N ATOM 1005 CA ASP A 486 41.319 18.678 26.876 1.00 19.44 C ATOM 1006 C ASP A 486 39.951 18.300 26.322 1.00 19.31 C ATOM 1007 O ASP A 486 39.007 19.098 26.380 1.00 21.27 O ATOM 1008 CB ASP A 486 42.231 19.144 25.741 1.00 22.50 C ATOM 1009 CG ASP A 486 43.426 19.933 26.236 1.00 25.61 C ATOM 1010 OD1 ASP A 486 43.402 20.390 27.398 1.00 26.16 O ATOM 1011 OD2 ASP A 486 44.384 20.106 25.455 1.00 27.75 O ATOM 1012 H ASP A 486 42.854 17.193 27.285 1.00 0.00 H ATOM 1013 N LYS A 487 39.824 17.088 25.779 1.00 19.94 N ATOM 1014 CA LYS A 487 38.548 16.668 25.211 1.00 22.18 C ATOM 1015 C LYS A 487 37.474 16.556 26.287 1.00 23.11 C ATOM 1016 O LYS A 487 36.333 16.990 26.085 1.00 24.90 O ATOM 1017 CB LYS A 487 38.718 15.346 24.464 1.00 25.21 C ATOM 1018 CG LYS A 487 37.435 14.801 23.869 1.00 29.35 C ATOM 1019 CD LYS A 487 37.722 13.835 22.733 1.00 33.09 C ATOM 1020 CE LYS A 487 36.441 13.206 22.215 1.00 36.39 C ATOM 1021 NZ LYS A 487 35.359 14.213 22.037 1.00 38.31 N ATOM 1022 HZ1 LYS A 487 35.154 14.665 22.951 1.00 0.00 H ATOM 1023 HZ2 LYS A 487 35.667 14.934 21.354 1.00 0.00 H ATOM 1024 HZ3 LYS A 487 34.503 13.741 21.682 1.00 0.00 H ATOM 1025 H LYS A 487 40.638 16.440 25.761 1.00 0.00 H ATOM 1026 N LYS A 488 37.823 15.989 27.443 1.00 22.65 N ATOM 1027 CA LYS A 488 36.842 15.834 28.513 1.00 23.06 C ATOM 1028 C LYS A 488 36.551 17.163 29.199 1.00 21.81 C ATOM 1029 O LYS A 488 35.400 17.450 29.548 1.00 24.07 O ATOM 1030 CB LYS A 488 37.347 14.812 29.532 1.00 24.68 C ATOM 1031 CG LYS A 488 36.381 14.550 30.674 1.00 27.94 C ATOM 1032 CD LYS A 488 35.760 13.170 30.562 1.00 30.95 C ATOM 1033 CE LYS A 488 34.502 13.069 31.406 1.00 33.96 C ATOM 1034 NZ LYS A 488 34.701 13.675 32.748 1.00 34.55 N ATOM 1035 HZ1 LYS A 488 35.471 13.179 33.240 1.00 0.00 H ATOM 1036 HZ2 LYS A 488 34.948 14.680 32.640 1.00 0.00 H ATOM 1037 HZ3 LYS A 488 33.823 13.589 33.299 1.00 0.00 H ATOM 1038 H LYS A 488 38.798 15.656 27.583 1.00 0.00 H ATOM 1039 N TRP A 489 37.576 17.986 29.391 1.00 20.45 N ATOM 1040 CA TRP A 489 37.472 19.196 30.199 1.00 21.30 C ATOM 1041 C TRP A 489 37.014 20.396 29.379 1.00 25.33 C ATOM 1042 O TRP A 489 36.186 21.187 29.836 1.00 26.64 O ATOM 1043 CB TRP A 489 38.826 19.489 30.850 1.00 22.61 C ATOM 1044 CG TRP A 489 38.785 20.453 31.990 1.00 22.03 C ATOM 1045 CD1 TRP A 489 39.231 21.741 31.987 1.00 21.96 C ATOM 1046 CD2 TRP A 489 38.288 20.202 33.311 1.00 21.29 C ATOM 1047 NE1 TRP A 489 39.038 22.312 33.222 1.00 22.80 N ATOM 1048 CE2 TRP A 489 38.460 21.388 34.053 1.00 20.60 C ATOM 1049 CE3 TRP A 489 37.711 19.093 33.936 1.00 21.36 C ATOM 1050 CZ2 TRP A 489 38.075 21.497 35.387 1.00 21.54 C ATOM 1051 CZ3 TRP A 489 37.329 19.203 35.263 1.00 21.96 C ATOM 1052 CH2 TRP A 489 37.513 20.395 35.973 1.00 21.94 C ATOM 1053 HE1 TRP A 489 39.290 23.287 33.483 1.00 0.00 H ATOM 1054 H TRP A 489 38.489 17.759 28.948 1.00 0.00 H TER 1055 TRP A 489 HETATM 1056 O HOH 1 65.073 2.951 36.151 1.00 26.49 O HETATM 1057 O HOH 2 57.231 14.517 21.872 1.00 33.56 O HETATM 1058 O HOH 3 47.841 18.301 49.627 1.00 25.52 O HETATM 1059 O HOH 4 36.670 11.625 45.292 1.00 39.94 O HETATM 1060 O HOH 5 66.260 11.108 44.190 1.00 35.14 O HETATM 1061 O HOH 6 62.415 5.075 45.398 1.00 39.09 O HETATM 1062 O HOH 7 61.108 18.833 43.630 1.00 31.44 O HETATM 1063 O HOH 8 48.791 23.811 40.897 1.00 29.95 O HETATM 1064 O HOH 9 58.253 3.018 41.496 1.00 26.56 O HETATM 1065 O HOH 10 36.022 20.259 47.313 1.00 37.60 O HETATM 1066 O HOH 11 60.113 14.121 44.040 1.00 35.22 O HETATM 1067 O HOH 12 58.332 16.263 17.950 1.00 35.86 O HETATM 1068 O HOH 13 39.941 21.455 52.772 1.00 31.09 O HETATM 1069 O HOH 14 47.392 1.118 35.432 1.00 31.61 O HETATM 1070 O HOH 15 62.477 4.438 22.596 1.00 16.25 O HETATM 1071 O HOH 16 55.711 16.268 38.234 1.00 16.58 O HETATM 1072 O HOH 17 56.715 23.123 31.258 1.00 33.61 O HETATM 1073 O HOH 18 59.223 9.078 21.140 1.00 39.90 O HETATM 1074 O HOH 19 41.504 10.050 52.746 1.00 29.47 O HETATM 1075 O HOH 20 56.293 6.702 43.438 1.00 35.26 O HETATM 1076 O HOH 21 62.095 11.392 28.253 1.00 17.98 O HETATM 1077 O HOH 22 49.560 22.089 43.840 1.00 36.51 O HETATM 1078 O HOH 23 62.344 7.641 44.722 1.00 38.99 O HETATM 1079 O HOH 24 54.464 10.811 37.795 1.00 13.39 O HETATM 1080 O HOH 25 59.559 19.977 25.971 1.00 23.79 O HETATM 1081 O HOH 26 48.516 5.974 41.967 1.00 29.91 O HETATM 1082 O HOH 27 50.183 10.747 46.340 1.00 33.52 O HETATM 1083 O HOH 28 45.752 23.755 42.439 1.00 27.61 O HETATM 1084 O HOH 29 64.059 17.556 21.634 1.00 35.06 O HETATM 1085 O HOH 30 56.431 24.860 39.429 1.00 34.72 O HETATM 1086 O HOH 31 29.556 15.282 44.314 1.00 28.99 O HETATM 1087 O HOH 32 53.725 13.206 36.977 1.00 13.77 O HETATM 1088 O HOH 33 54.917 15.004 35.422 1.00 17.24 O HETATM 1089 O HOH 34 65.464 13.895 41.836 1.00 26.44 O HETATM 1090 O HOH 35 52.106 3.207 36.579 1.00 34.55 O HETATM 1091 O HOH 36 40.736 24.494 29.939 1.00 40.33 O HETATM 1092 O HOH 37 65.801 5.195 34.231 1.00 36.89 O HETATM 1093 O HOH 38 45.239 11.417 22.855 1.00 22.69 O HETATM 1094 O HOH 39 35.372 8.411 34.574 1.00 30.30 O HETATM 1095 O HOH 40 57.203 8.241 36.398 1.00 18.33 O HETATM 1096 O HOH 41 50.073 21.882 30.672 1.00 29.87 O HETATM 1097 O HOH 42 62.397 4.871 26.118 1.00 31.82 O HETATM 1098 O HOH 43 54.225 14.037 42.368 1.00 18.03 O HETATM 1099 O HOH 44 56.563 13.425 41.077 1.00 17.69 O HETATM 1100 O HOH 45 50.328 21.727 26.471 1.00 24.53 O HETATM 1101 O HOH 46 60.699 2.303 44.944 1.00 36.79 O HETATM 1102 O HOH 47 53.312 6.208 37.909 1.00 18.22 O HETATM 1103 O HOH 48 60.902 11.110 18.095 1.00 42.68 O HETATM 1104 O HOH 49 62.457 19.122 28.095 1.00 23.29 O HETATM 1105 O HOH 50 39.133 11.343 44.045 1.00 33.40 O HETATM 1106 O HOH 51 57.199 19.338 24.538 1.00 18.99 O HETATM 1107 O HOH 52 62.137 12.269 44.919 1.00 40.81 O HETATM 1108 O HOH 53 40.824 5.157 36.973 1.00 24.28 O HETATM 1109 O HOH 54 46.734 20.595 23.930 1.00 32.74 O HETATM 1110 O HOH 55 55.547 6.555 39.556 1.00 20.95 O HETATM 1111 O HOH 56 38.393 12.604 26.852 1.00 30.53 O HETATM 1112 O HOH 57 41.080 1.273 34.868 1.00 36.12 O HETATM 1113 O HOH 58 44.781 8.448 44.605 1.00 30.72 O HETATM 1114 O HOH 59 54.200 20.239 44.382 1.00 27.82 O HETATM 1115 O HOH 60 46.283 3.142 33.934 1.00 20.60 O HETATM 1116 O HOH 61 49.876 18.556 22.964 1.00 29.36 O HETATM 1117 O HOH 62 68.104 3.214 39.483 1.00 23.21 O HETATM 1118 O HOH 63 28.700 16.681 36.805 1.00 31.81 O HETATM 1119 O HOH 64 58.413 12.600 42.877 1.00 25.87 O HETATM 1120 O HOH 65 41.722 17.126 22.598 1.00 35.97 O HETATM 1121 O HOH 66 35.617 12.034 49.572 1.00 28.53 O HETATM 1122 O HOH 67 38.531 9.522 42.184 1.00 34.34 O HETATM 1123 O HOH 68 65.365 17.745 30.675 1.00 33.90 O HETATM 1124 O HOH 69 41.715 24.660 45.904 1.00 31.06 O HETATM 1125 O HOH 70 65.460 13.787 30.484 1.00 35.47 O HETATM 1126 O HOH 71 46.403 2.281 26.231 1.00 26.12 O HETATM 1127 O HOH 72 62.520 8.191 24.458 1.00 25.46 O HETATM 1128 O HOH 73 61.078 9.004 27.398 1.00 16.16 O HETATM 1129 O HOH 74 58.093 6.719 38.433 1.00 19.16 O HETATM 1130 O HOH 75 61.383 8.366 20.996 1.00 36.02 O HETATM 1131 O HOH 76 50.067 19.958 46.471 1.00 27.13 O HETATM 1132 O HOH 77 32.986 16.221 28.297 1.00 36.77 O HETATM 1133 O HOH 78 36.162 15.303 51.203 1.00 24.64 O HETATM 1134 O HOH 79 47.688 17.940 23.904 1.00 24.06 O HETATM 1135 O HOH 80 61.680 19.996 24.586 1.00 23.95 O HETATM 1136 O HOH 81 38.336 18.502 46.603 1.00 18.18 O HETATM 1137 O HOH 82 45.074 3.607 37.791 1.00 36.47 O HETATM 1138 O HOH 83 26.290 21.721 45.654 1.00 41.21 O HETATM 1139 O HOH 84 45.929 23.015 45.041 1.00 40.19 O HETATM 1140 O HOH 85 52.439 13.182 46.830 1.00 40.71 O HETATM 1141 O HOH 86 44.362 10.180 51.822 1.00 31.45 O HETATM 1142 O HOH 87 25.875 21.139 42.179 1.00 33.78 O HETATM 1143 O HOH 88 67.705 2.859 36.839 1.00 27.95 O HETATM 1144 O HOH 89 61.285 10.181 44.476 1.00 36.50 O HETATM 1145 O HOH 90 55.597 6.889 23.559 1.00 40.00 O HETATM 1146 O HOH 91 42.934 26.841 36.020 1.00 35.54 O HETATM 1147 O HOH 92 43.405 4.816 41.197 1.00 36.50 O HETATM 1148 O HOH 93 38.474 23.138 49.560 1.00 41.59 O HETATM 1149 O HOH 94 41.180 5.628 39.419 1.00 35.77 O HETATM 1150 O HOH 95 33.055 21.288 49.751 1.00 43.20 O HETATM 1151 O HOH 96 43.876 24.029 45.759 1.00 43.57 O HETATM 1152 O HOH 97 67.875 14.327 32.134 1.00 49.68 O HETATM 1153 O HOH 98 47.566 26.509 34.742 1.00 33.52 O HETATM 1154 O HOH 99 31.664 13.439 43.819 1.00 35.55 O HETATM 1155 O HOH 100 52.890 8.763 22.686 1.00 26.66 O HETATM 1156 O HOH 101 48.978 3.890 21.880 1.00 40.60 O HETATM 1157 O HOH 102 59.423 19.512 45.898 1.00 44.43 O HETATM 1158 O HOH 103 33.373 21.580 53.398 1.00 33.59 O HETATM 1159 O HOH 104 54.200 8.165 21.068 1.00 36.71 O HETATM 1160 O HOH 105 36.464 19.468 23.287 1.00 41.24 O HETATM 1161 O HOH 106 49.107 8.608 45.102 1.00 44.43 O HETATM 1162 O HOH 107 49.561 0.800 36.691 1.00 39.24 O HETATM 1163 O HOH 108 60.792 15.540 17.660 1.00 35.70 O HETATM 1164 O HOH 109 54.400 14.772 45.005 1.00 37.42 O HETATM 1165 O HOH 110 58.789 4.052 46.498 1.00 38.29 O HETATM 1166 O HOH 111 53.715 1.311 35.962 1.00 39.93 O HETATM 1167 O HOH 112 32.094 14.389 29.620 1.00 31.25 O HETATM 1168 O HOH 113 55.694 4.414 41.513 1.00 37.71 O HETATM 1169 O HOH 114 52.444 3.750 38.960 1.00 28.61 O HETATM 1170 O HOH 115 58.720 3.989 38.783 1.00 27.11 O HETATM 1171 O HOH 116 31.477 10.800 42.272 1.00 44.94 O HETATM 1172 O HOH 117 33.767 7.732 36.416 1.00 38.91 O HETATM 1173 O HOH 118 63.793 20.085 26.248 1.00 24.96 O HETATM 1174 O HOH 119 64.847 11.380 28.055 1.00 27.62 O HETATM 1175 O HOH 120 47.336 3.326 39.709 1.00 46.72 O HETATM 1176 O HOH 121 66.911 16.517 23.405 1.00 41.33 O HETATM 1177 O HOH 122 53.545 3.030 41.893 1.00 43.32 O HETATM 1178 C1 UNN A 123 59.306 7.258 33.479 1.00 0.13 C HETATM 1179 C2 UNN A 123 58.990 5.812 33.614 1.00 -0.01 C HETATM 1180 C6 UNN A 123 59.780 4.894 32.941 1.00 -0.07 C HETATM 1181 C5 UNN A 123 60.835 5.357 32.169 1.00 -0.04 C HETATM 1182 C4 UNN A 123 61.098 6.721 32.066 1.00 0.07 C HETATM 1183 N UNN A 123 60.351 7.633 32.707 1.00 -0.18 N HETATM 1184 C UNN A 123 60.390 8.967 32.790 1.00 0.19 C HETATM 1185 C7 UNN A 123 59.308 9.461 33.658 1.00 0.03 C HETATM 1186 C8 UNN A 123 58.917 10.843 34.038 1.00 -0.05 C HETATM 1187 C9 UNN A 123 57.563 11.112 34.170 1.00 -0.07 C HETATM 1188 C10 UNN A 123 57.131 12.383 34.518 1.00 -0.04 C HETATM 1189 C13 UNN A 123 58.065 13.387 34.733 1.00 0.08 C HETATM 1190 C12 UNN A 123 59.424 13.117 34.599 1.00 -0.04 C HETATM 1191 C11 UNN A 123 59.859 11.841 34.249 1.00 -0.07 C HETATM 1192 H5 UNN A 123 60.917 11.630 34.143 1.00 0.05 H HETATM 1193 H6 UNN A 123 60.149 13.905 34.768 1.00 0.05 H HETATM 1194 O UNN A 123 57.628 14.632 35.073 1.00 -0.34 O HETATM 1195 H13 UNN A 123 56.679 14.632 35.118 1.00 0.25 H HETATM 1196 H4 UNN A 123 56.072 12.591 34.621 1.00 0.05 H HETATM 1197 H3 UNN A 123 56.838 10.324 34.000 1.00 0.05 H HETATM 1198 N1 UNN A 123 58.681 8.332 34.037 1.00 -0.35 N HETATM 1199 N2 UNN A 123 61.282 9.779 32.161 1.00 -0.26 N HETATM 1200 C14 UNN A 123 62.632 9.648 32.279 1.00 0.05 C HETATM 1201 C15 UNN A 123 63.460 10.338 31.402 1.00 -0.05 C HETATM 1202 C16 UNN A 123 64.843 10.218 31.497 1.00 -0.07 C HETATM 1203 C19 UNN A 123 65.402 9.405 32.474 1.00 -0.06 C HETATM 1204 C18 UNN A 123 64.581 8.710 33.354 1.00 -0.07 C HETATM 1205 C17 UNN A 123 63.200 8.838 33.261 1.00 -0.05 C HETATM 1206 H8 UNN A 123 62.561 8.305 33.956 1.00 0.05 H HETATM 1207 H9 UNN A 123 65.017 8.069 34.112 1.00 0.05 H HETATM 1208 C20 UNN A 123 66.900 9.278 32.569 1.00 -0.04 C HETATM 1209 H10 UNN A 123 67.371 9.899 31.793 1.00 0.04 H HETATM 1210 H11 UNN A 123 67.189 8.227 32.422 1.00 0.04 H HETATM 1211 H12 UNN A 123 67.234 9.615 33.561 1.00 0.04 H HETATM 1212 H15 UNN A 123 65.483 10.758 30.809 1.00 0.05 H HETATM 1213 H7 UNN A 123 63.026 10.974 30.639 1.00 0.05 H HETATM 1214 H14 UNN A 123 60.916 10.534 31.563 1.00 0.21 H HETATM 1215 H16 UNN A 123 61.931 7.056 31.450 1.00 0.11 H HETATM 1216 H1 UNN A 123 61.465 4.646 31.637 1.00 0.05 H HETATM 1217 H2 UNN A 123 59.576 3.827 33.017 1.00 0.05 H HETATM 1218 C3 UNN A 123 57.833 5.360 34.464 1.00 -0.03 C HETATM 1219 H17 UNN A 123 57.339 6.237 34.908 1.00 0.04 H HETATM 1220 H18 UNN A 123 58.201 4.702 35.265 1.00 0.04 H HETATM 1221 H19 UNN A 123 57.113 4.810 33.840 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1178 1179 1183 1198 CONECT 1179 1178 1180 1218 CONECT 1180 1179 1181 1217 CONECT 1181 1180 1182 1216 CONECT 1182 1181 1183 1215 CONECT 1183 1178 1182 1184 CONECT 1184 1183 1185 1199 CONECT 1185 1184 1186 1198 CONECT 1186 1185 1187 1191 CONECT 1187 1186 1188 1197 CONECT 1188 1187 1189 1196 CONECT 1189 1188 1190 1194 CONECT 1190 1189 1191 1193 CONECT 1191 1186 1190 1192 CONECT 1192 1191 CONECT 1193 1190 CONECT 1194 1189 1195 CONECT 1195 1194 CONECT 1196 1188 CONECT 1197 1187 CONECT 1198 1178 1185 CONECT 1199 1184 1200 1214 CONECT 1200 1199 1201 1205 CONECT 1201 1200 1202 1213 CONECT 1202 1201 1203 1212 CONECT 1203 1202 1204 1208 CONECT 1204 1203 1205 1207 CONECT 1205 1200 1204 1206 CONECT 1206 1205 CONECT 1207 1204 CONECT 1208 1203 1209 1210 1211 CONECT 1209 1208 CONECT 1210 1208 CONECT 1211 1208 CONECT 1212 1202 CONECT 1213 1201 CONECT 1214 1199 CONECT 1215 1182 CONECT 1216 1181 CONECT 1217 1180 CONECT 1218 1179 1219 1220 1221 CONECT 1219 1218 CONECT 1220 1218 CONECT 1221 1218 MASTER 0 0 0 0 0 0 0 0 1220 1 48 9 END
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Related entries of code: 5n18
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5n18
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain-containing factor 1
Ligand Name
8HZ
EC.Number
E.C.-.-.-.-
Resolution
1.45(Å)
Affinity (Kd/Ki/IC50)
Kd=2.1uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Nat Commun Vol. 8: pp. 15482-15482
Ligand Properties
Formula
C
2
1
H
1
9
N
3
O
Molecular Weight
329.395
Exact Mass
329.153
No. of atoms
44
No. of bonds
47
Polar Surface Area
49.56
LOGP Value
5.67 (
Computed with XLOGP3
)
5.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
Cc1ccc(cc1)Nc1c(nc2n1cccc2C)c1ccc(cc1)O
InChI String
InChI=1S/C21H19N3O/c1-14-5-9-17(10-6-14)22-21-19(16-7-11-18(25)12-8-16)23-20-15(2)4-3-13-24(20)21/h3-13,22,25H,1-2H3
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):
Q5A4W8
Entrez Gene ID
NCBI Entrez Gene ID:
3641592
ASD
Information of known allosteric effects of PDB entries
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