Browse entries in the PDBbind-CN Database
HEADER 5BTX_COMPLEX COMPND 5BTX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 132 MET VAL THR LYS ILE ILE TRP VAL SER ASN ASN GLY LYS SEQRES 2 A 132 PRO ASN LEU LYS ILE GLU PHE VAL SER GLU GLU GLU LYS SEQRES 3 A 132 SER ASN PHE PHE LYS GLU VAL LYS LYS LYS ALA SER GLU SEQRES 4 A 132 LEU GLY LEU ASN PHE PRO LEU VAL GLN GLY SER GLY ASN SEQRES 5 A 132 SER LEU LEU ILE GLU ALA SER ASN TYR PRO ILE ASN PRO SEQRES 6 A 132 CYS GLY CYS TYR ILE SER PRO GLY GLY LYS LEU ALA ILE SEQRES 7 A 132 ASN PHE GLY LYS VAL GLU LEU SER HIS PHE ILE LEU PRO SEQRES 8 A 132 LYS VAL GLY VAL LYS THR GLU HIS ALA GLU ILE PHE LYS SEQRES 9 A 132 ASP HIS ASN THR ILE PHE PHE HIS LYS HIS LYS LEU PRO SEQRES 10 A 132 GLY VAL ASN SER GLU LEU THR PHE ILE PRO THR GLY THR SEQRES 11 A 132 PRO VAL HET CMP A 192 33 ATOM 1 N MET A 1 15.808 39.787 31.028 1.00 33.50 N ATOM 2 CA MET A 1 16.938 39.126 31.767 1.00 34.73 C ATOM 3 C MET A 1 16.663 38.987 33.274 1.00 35.12 C ATOM 4 O MET A 1 15.679 39.560 33.803 1.00 34.71 O ATOM 5 CB MET A 1 18.207 39.955 31.594 1.00 34.65 C ATOM 6 CG MET A 1 18.055 41.336 32.208 1.00 33.88 C ATOM 7 SD MET A 1 19.534 42.322 32.105 1.00 37.07 S ATOM 8 CE MET A 1 20.221 41.690 30.575 1.00 38.33 C ATOM 9 HN3 MET A 1 15.654 40.741 31.413 1.00 0.00 H ATOM 10 HN2 MET A 1 14.943 39.222 31.143 1.00 0.00 H ATOM 11 HN1 MET A 1 16.048 39.854 30.018 1.00 0.00 H ATOM 12 N VAL A 2 17.517 38.208 33.952 1.00 32.26 N ATOM 13 CA VAL A 2 17.609 38.259 35.418 1.00 31.24 C ATOM 14 C VAL A 2 18.443 39.488 35.714 1.00 30.29 C ATOM 15 O VAL A 2 19.583 39.597 35.257 1.00 29.55 O ATOM 16 CB VAL A 2 18.272 37.022 36.048 1.00 30.24 C ATOM 17 CG1 VAL A 2 18.592 37.272 37.541 1.00 31.38 C ATOM 18 CG2 VAL A 2 17.365 35.816 35.892 1.00 30.57 C ATOM 19 H VAL A 2 18.130 37.551 33.428 1.00 0.00 H ATOM 20 N THR A 3 17.847 40.419 36.444 1.00 30.60 N ATOM 21 CA THR A 3 18.500 41.669 36.767 1.00 30.19 C ATOM 22 C THR A 3 19.360 41.546 38.027 1.00 30.26 C ATOM 23 O THR A 3 20.410 42.173 38.118 1.00 31.65 O ATOM 24 CB THR A 3 17.498 42.853 36.869 1.00 31.44 C ATOM 25 OG1 THR A 3 16.455 42.560 37.826 1.00 29.46 O ATOM 26 CG2 THR A 3 16.883 43.133 35.501 1.00 30.56 C ATOM 27 HG1 THR A 3 16.860 42.405 38.716 1.00 0.00 H ATOM 28 H THR A 3 16.883 40.247 36.795 1.00 0.00 H ATOM 29 N LYS A 4 18.950 40.718 38.980 1.00 29.56 N ATOM 30 CA LYS A 4 19.674 40.673 40.250 1.00 27.29 C ATOM 31 C LYS A 4 19.357 39.389 41.011 1.00 25.06 C ATOM 32 O LYS A 4 18.220 38.861 40.935 1.00 26.38 O ATOM 33 CB LYS A 4 19.296 41.915 41.082 1.00 29.11 C ATOM 34 CG LYS A 4 19.959 42.050 42.448 1.00 29.38 C ATOM 35 CD LYS A 4 19.284 43.134 43.291 1.00 29.70 C ATOM 36 CE LYS A 4 19.533 44.524 42.712 1.00 30.36 C ATOM 37 NZ LYS A 4 19.334 45.647 43.679 1.00 30.70 N ATOM 38 HZ1 LYS A 4 18.353 45.635 44.025 1.00 0.00 H ATOM 39 HZ2 LYS A 4 19.987 45.533 44.480 1.00 0.00 H ATOM 40 HZ3 LYS A 4 19.524 46.551 43.202 1.00 0.00 H ATOM 41 H LYS A 4 18.122 40.107 38.825 1.00 0.00 H ATOM 42 N ILE A 5 20.357 38.879 41.725 1.00 23.40 N ATOM 43 CA ILE A 5 20.153 37.780 42.687 1.00 22.43 C ATOM 44 C ILE A 5 20.632 38.179 44.081 1.00 22.93 C ATOM 45 O ILE A 5 21.552 38.995 44.221 1.00 21.86 O ATOM 46 CB ILE A 5 20.821 36.453 42.248 1.00 21.90 C ATOM 47 CG1 ILE A 5 22.324 36.636 42.026 1.00 21.97 C ATOM 48 CG2 ILE A 5 20.126 35.882 41.003 1.00 21.68 C ATOM 49 CD1 ILE A 5 23.169 36.331 43.247 1.00 21.92 C ATOM 50 H ILE A 5 21.314 39.268 41.601 1.00 0.00 H ATOM 51 N ILE A 6 20.014 37.587 45.110 1.00 23.72 N ATOM 52 CA ILE A 6 20.310 37.962 46.483 1.00 24.10 C ATOM 53 C ILE A 6 20.441 36.725 47.382 1.00 24.15 C ATOM 54 O ILE A 6 19.676 35.753 47.251 1.00 23.81 O ATOM 55 CB ILE A 6 19.248 38.971 47.017 1.00 25.08 C ATOM 56 CG1 ILE A 6 18.760 39.894 45.878 1.00 25.75 C ATOM 57 CG2 ILE A 6 19.822 39.871 48.111 1.00 24.86 C ATOM 58 CD1 ILE A 6 17.885 41.028 46.375 1.00 27.15 C ATOM 59 H ILE A 6 19.309 36.845 44.924 1.00 0.00 H ATOM 60 N TRP A 7 21.455 36.735 48.240 1.00 23.76 N ATOM 61 CA TRP A 7 21.562 35.757 49.327 1.00 25.27 C ATOM 62 C TRP A 7 20.622 36.244 50.430 1.00 25.18 C ATOM 63 O TRP A 7 20.884 37.254 51.071 1.00 23.45 O ATOM 64 CB TRP A 7 23.000 35.740 49.864 1.00 25.02 C ATOM 65 CG TRP A 7 23.271 34.757 50.917 1.00 24.76 C ATOM 66 CD1 TRP A 7 22.353 34.150 51.760 1.00 25.80 C ATOM 67 CD2 TRP A 7 24.549 34.286 51.318 1.00 25.28 C ATOM 68 NE1 TRP A 7 22.995 33.319 52.641 1.00 24.77 N ATOM 69 CE2 TRP A 7 24.343 33.386 52.402 1.00 26.00 C ATOM 70 CE3 TRP A 7 25.857 34.538 50.880 1.00 24.53 C ATOM 71 CZ2 TRP A 7 25.405 32.709 53.029 1.00 26.13 C ATOM 72 CZ3 TRP A 7 26.906 33.871 51.496 1.00 25.16 C ATOM 73 CH2 TRP A 7 26.673 32.969 52.565 1.00 26.64 C ATOM 74 HE1 TRP A 7 22.536 32.735 53.369 1.00 0.00 H ATOM 75 H TRP A 7 22.195 37.458 48.138 1.00 0.00 H ATOM 76 N VAL A 8 19.505 35.559 50.616 1.00 28.29 N ATOM 77 CA VAL A 8 18.636 35.876 51.766 1.00 29.19 C ATOM 78 C VAL A 8 18.595 34.742 52.766 1.00 31.58 C ATOM 79 O VAL A 8 18.963 33.596 52.441 1.00 32.54 O ATOM 80 CB VAL A 8 17.209 36.322 51.353 1.00 28.70 C ATOM 81 CG1 VAL A 8 17.285 37.665 50.650 1.00 27.95 C ATOM 82 CG2 VAL A 8 16.508 35.286 50.460 1.00 30.01 C ATOM 83 H VAL A 8 19.241 34.801 49.955 1.00 0.00 H ATOM 84 N SER A 9 18.169 35.079 53.989 1.00 33.47 N ATOM 85 CA SER A 9 17.843 34.126 55.024 1.00 33.34 C ATOM 86 C SER A 9 16.348 34.191 55.383 1.00 35.56 C ATOM 87 O SER A 9 15.780 35.277 55.650 1.00 33.48 O ATOM 88 CB SER A 9 18.677 34.412 56.268 1.00 34.67 C ATOM 89 OG SER A 9 18.269 33.555 57.309 1.00 36.28 O ATOM 90 HG SER A 9 18.810 33.739 58.118 1.00 0.00 H ATOM 91 H SER A 9 18.066 36.091 54.208 1.00 0.00 H ATOM 92 N ASN A 10 15.724 33.014 55.407 1.00 35.40 N ATOM 93 CA ASN A 10 14.297 32.859 55.687 1.00 37.14 C ATOM 94 C ASN A 10 14.111 31.679 56.637 1.00 35.72 C ATOM 95 O ASN A 10 14.492 30.552 56.315 1.00 33.50 O ATOM 96 CB ASN A 10 13.494 32.602 54.383 1.00 37.24 C ATOM 97 CG ASN A 10 13.498 33.789 53.427 1.00 41.00 C ATOM 98 OD1 ASN A 10 13.598 34.932 53.856 1.00 42.80 O ATOM 99 ND2 ASN A 10 13.367 33.518 52.105 1.00 37.66 N ATOM 100 HD22 ASN A 10 13.285 32.533 51.782 1.00 0.00 H ATOM 101 HD21 ASN A 10 13.349 34.295 51.414 1.00 0.00 H ATOM 102 H ASN A 10 16.283 32.158 55.216 1.00 0.00 H ATOM 103 N ASN A 11 13.543 31.945 57.813 1.00 39.71 N ATOM 104 CA ASN A 11 13.350 30.925 58.854 1.00 40.39 C ATOM 105 C ASN A 11 14.677 30.199 59.098 1.00 38.32 C ATOM 106 O ASN A 11 14.741 28.974 59.129 1.00 38.91 O ATOM 107 CB ASN A 11 12.210 29.964 58.454 1.00 43.39 C ATOM 108 CG ASN A 11 11.593 29.206 59.637 1.00 48.38 C ATOM 109 OD1 ASN A 11 11.943 29.402 60.823 1.00 48.69 O ATOM 110 ND2 ASN A 11 10.645 28.323 59.309 1.00 48.63 N ATOM 111 HD22 ASN A 11 10.382 28.189 58.312 1.00 0.00 H ATOM 112 HD21 ASN A 11 10.170 27.770 60.051 1.00 0.00 H ATOM 113 H ASN A 11 13.222 32.916 58.002 1.00 0.00 H ATOM 114 N GLY A 12 15.741 30.985 59.221 1.00 36.49 N ATOM 115 CA GLY A 12 17.088 30.476 59.537 1.00 36.91 C ATOM 116 C GLY A 12 17.697 29.559 58.477 1.00 35.10 C ATOM 117 O GLY A 12 18.545 28.728 58.813 1.00 35.84 O ATOM 118 H GLY A 12 15.618 32.009 59.088 1.00 0.00 H ATOM 119 N LYS A 13 17.300 29.770 57.211 1.00 30.82 N ATOM 120 CA LYS A 13 17.736 28.938 56.092 1.00 29.48 C ATOM 121 C LYS A 13 18.181 29.798 54.901 1.00 27.73 C ATOM 122 O LYS A 13 17.582 30.810 54.602 1.00 26.34 O ATOM 123 CB LYS A 13 16.620 27.974 55.669 1.00 29.56 C ATOM 124 CG LYS A 13 16.500 26.731 56.546 1.00 30.29 C ATOM 125 CD LYS A 13 15.396 25.792 56.069 1.00 29.33 C ATOM 126 CE LYS A 13 14.080 26.055 56.776 1.00 29.59 C ATOM 127 NZ LYS A 13 13.210 24.835 56.784 1.00 30.30 N ATOM 128 HZ1 LYS A 13 13.008 24.549 55.805 1.00 0.00 H ATOM 129 HZ2 LYS A 13 13.702 24.063 57.278 1.00 0.00 H ATOM 130 HZ3 LYS A 13 12.319 25.050 57.275 1.00 0.00 H ATOM 131 H LYS A 13 16.653 30.561 57.019 1.00 0.00 H ATOM 132 N PRO A 14 19.273 29.405 54.244 1.00 26.08 N ATOM 133 CA PRO A 14 19.726 30.263 53.158 1.00 25.97 C ATOM 134 C PRO A 14 18.810 30.100 51.916 1.00 24.98 C ATOM 135 O PRO A 14 18.462 28.973 51.536 1.00 24.01 O ATOM 136 CB PRO A 14 21.123 29.707 52.828 1.00 25.19 C ATOM 137 CG PRO A 14 21.045 28.259 53.219 1.00 25.66 C ATOM 138 CD PRO A 14 20.184 28.260 54.463 1.00 26.29 C ATOM 139 N ASN A 15 18.419 31.227 51.325 1.00 24.48 N ATOM 140 CA ASN A 15 17.743 31.188 49.991 1.00 23.13 C ATOM 141 C ASN A 15 18.501 32.032 48.953 1.00 23.45 C ATOM 142 O ASN A 15 19.292 32.929 49.286 1.00 23.34 O ATOM 143 CB ASN A 15 16.300 31.703 50.068 1.00 21.93 C ATOM 144 CG ASN A 15 15.359 30.866 50.951 1.00 22.17 C ATOM 145 OD1 ASN A 15 14.280 31.325 51.234 1.00 22.37 O ATOM 146 ND2 ASN A 15 15.740 29.669 51.353 1.00 22.71 N ATOM 147 HD22 ASN A 15 16.678 29.306 51.089 1.00 0.00 H ATOM 148 HD21 ASN A 15 15.102 29.088 51.934 1.00 0.00 H ATOM 149 H ASN A 15 18.585 32.140 51.794 1.00 0.00 H ATOM 150 N LEU A 16 18.225 31.766 47.683 1.00 22.99 N ATOM 151 CA LEU A 16 18.613 32.694 46.658 1.00 24.33 C ATOM 152 C LEU A 16 17.362 33.363 46.118 1.00 24.23 C ATOM 153 O LEU A 16 16.513 32.697 45.513 1.00 24.36 O ATOM 154 CB LEU A 16 19.386 32.008 45.524 1.00 23.29 C ATOM 155 CG LEU A 16 19.936 32.994 44.481 1.00 22.43 C ATOM 156 CD1 LEU A 16 21.193 33.677 44.974 1.00 23.20 C ATOM 157 CD2 LEU A 16 20.235 32.231 43.207 1.00 24.28 C ATOM 158 H LEU A 16 17.729 30.888 47.430 1.00 0.00 H ATOM 159 N LYS A 17 17.230 34.661 46.352 1.00 24.31 N ATOM 160 CA LYS A 17 16.160 35.403 45.690 1.00 26.44 C ATOM 161 C LYS A 17 16.609 35.844 44.281 1.00 24.94 C ATOM 162 O LYS A 17 17.648 36.478 44.141 1.00 24.87 O ATOM 163 CB LYS A 17 15.749 36.616 46.525 1.00 28.16 C ATOM 164 CG LYS A 17 14.802 37.580 45.804 1.00 30.46 C ATOM 165 CD LYS A 17 14.241 38.625 46.749 1.00 31.40 C ATOM 166 CE LYS A 17 13.672 37.942 47.999 1.00 32.02 C ATOM 167 NZ LYS A 17 13.343 38.901 49.107 1.00 34.28 N ATOM 168 HZ1 LYS A 17 14.205 39.407 49.393 1.00 0.00 H ATOM 169 HZ2 LYS A 17 12.633 39.584 48.773 1.00 0.00 H ATOM 170 HZ3 LYS A 17 12.964 38.374 49.919 1.00 0.00 H ATOM 171 H LYS A 17 17.882 35.146 47.001 1.00 0.00 H ATOM 172 N ILE A 18 15.816 35.505 43.268 1.00 24.88 N ATOM 173 CA ILE A 18 16.081 35.875 41.846 1.00 24.97 C ATOM 174 C ILE A 18 15.057 36.907 41.356 1.00 24.80 C ATOM 175 O ILE A 18 13.863 36.668 41.394 1.00 23.77 O ATOM 176 CB ILE A 18 16.063 34.647 40.895 1.00 23.94 C ATOM 177 CG1 ILE A 18 16.960 33.522 41.420 1.00 24.78 C ATOM 178 CG2 ILE A 18 16.546 35.053 39.513 1.00 25.77 C ATOM 179 CD1 ILE A 18 16.737 32.166 40.787 1.00 25.47 C ATOM 180 H ILE A 18 14.962 34.950 43.479 1.00 0.00 H ATOM 181 N GLU A 19 15.541 38.050 40.887 1.00 26.97 N ATOM 182 CA GLU A 19 14.647 39.096 40.413 1.00 28.74 C ATOM 183 C GLU A 19 14.661 39.203 38.880 1.00 30.54 C ATOM 184 O GLU A 19 15.715 39.098 38.227 1.00 28.74 O ATOM 185 CB GLU A 19 14.987 40.427 41.071 1.00 28.51 C ATOM 186 CG GLU A 19 14.959 40.383 42.617 1.00 28.86 C ATOM 187 CD GLU A 19 15.107 41.763 43.245 1.00 29.88 C ATOM 188 OE1 GLU A 19 15.856 42.617 42.714 1.00 30.10 O ATOM 189 OE2 GLU A 19 14.462 42.013 44.274 1.00 32.54 O ATOM 190 H GLU A 19 16.570 38.200 40.858 1.00 0.00 H ATOM 191 N PHE A 20 13.480 39.429 38.312 1.00 29.44 N ATOM 192 CA PHE A 20 13.358 39.488 36.867 1.00 31.35 C ATOM 193 C PHE A 20 12.932 40.884 36.445 1.00 32.60 C ATOM 194 O PHE A 20 12.317 41.616 37.217 1.00 36.06 O ATOM 195 CB PHE A 20 12.359 38.424 36.360 1.00 31.39 C ATOM 196 CG PHE A 20 12.809 37.018 36.620 1.00 29.17 C ATOM 197 CD1 PHE A 20 12.739 36.476 37.898 1.00 28.91 C ATOM 198 CD2 PHE A 20 13.355 36.256 35.605 1.00 29.06 C ATOM 199 CE1 PHE A 20 13.201 35.197 38.153 1.00 28.19 C ATOM 200 CE2 PHE A 20 13.794 34.965 35.846 1.00 27.56 C ATOM 201 CZ PHE A 20 13.715 34.431 37.128 1.00 27.05 C ATOM 202 H PHE A 20 12.638 39.564 38.907 1.00 0.00 H ATOM 203 N VAL A 21 13.296 41.256 35.236 1.00 32.11 N ATOM 204 CA VAL A 21 12.950 42.565 34.690 1.00 33.01 C ATOM 205 C VAL A 21 11.418 42.759 34.698 1.00 34.00 C ATOM 206 O VAL A 21 10.920 43.881 34.818 1.00 35.16 O ATOM 207 CB VAL A 21 13.601 42.763 33.291 1.00 32.97 C ATOM 208 CG1 VAL A 21 12.923 41.888 32.240 1.00 32.44 C ATOM 209 CG2 VAL A 21 13.599 44.236 32.866 1.00 33.07 C ATOM 210 H VAL A 21 13.848 40.596 34.651 1.00 0.00 H ATOM 211 N SER A 22 10.688 41.644 34.659 1.00 34.01 N ATOM 212 CA SER A 22 9.250 41.657 34.528 1.00 35.61 C ATOM 213 C SER A 22 8.605 40.370 35.044 1.00 35.96 C ATOM 214 O SER A 22 9.250 39.336 35.098 1.00 38.01 O ATOM 215 CB SER A 22 8.878 41.860 33.052 1.00 33.83 C ATOM 216 OG SER A 22 9.260 40.733 32.270 1.00 32.28 O ATOM 217 HG SER A 22 8.796 39.926 32.607 1.00 0.00 H ATOM 218 H SER A 22 11.174 40.727 34.726 1.00 0.00 H ATOM 219 N GLU A 23 7.313 40.452 35.372 1.00 39.61 N ATOM 220 CA GLU A 23 6.446 39.315 35.768 1.00 39.34 C ATOM 221 C GLU A 23 6.374 38.178 34.712 1.00 38.67 C ATOM 222 O GLU A 23 6.349 36.994 35.066 1.00 36.42 O ATOM 223 CB GLU A 23 5.038 39.866 36.039 1.00 45.06 C ATOM 224 CG GLU A 23 4.057 38.980 36.812 1.00 48.45 C ATOM 225 CD GLU A 23 2.941 39.794 37.470 1.00 52.53 C ATOM 226 OE1 GLU A 23 2.707 40.946 37.040 1.00 55.24 O ATOM 227 OE2 GLU A 23 2.282 39.301 38.420 1.00 52.54 O ATOM 228 H GLU A 23 6.876 41.396 35.348 1.00 0.00 H ATOM 229 N GLU A 24 6.338 38.535 33.426 1.00 35.72 N ATOM 230 CA GLU A 24 6.272 37.518 32.352 1.00 36.57 C ATOM 231 C GLU A 24 7.525 36.658 32.219 1.00 34.36 C ATOM 232 O GLU A 24 7.424 35.461 31.955 1.00 31.76 O ATOM 233 CB GLU A 24 5.992 38.154 30.993 1.00 38.78 C ATOM 234 CG GLU A 24 6.170 37.179 29.842 1.00 42.38 C ATOM 235 CD GLU A 24 5.465 37.625 28.580 1.00 46.46 C ATOM 236 OE1 GLU A 24 5.934 38.610 27.968 1.00 47.43 O ATOM 237 OE2 GLU A 24 4.450 36.984 28.213 1.00 49.12 O ATOM 238 H GLU A 24 6.357 39.544 33.175 1.00 0.00 H ATOM 239 N GLU A 25 8.698 37.291 32.363 1.00 33.39 N ATOM 240 CA GLU A 25 9.985 36.586 32.385 1.00 30.93 C ATOM 241 C GLU A 25 10.137 35.743 33.645 1.00 30.35 C ATOM 242 O GLU A 25 10.721 34.677 33.588 1.00 29.68 O ATOM 243 CB GLU A 25 11.152 37.559 32.286 1.00 31.68 C ATOM 244 CG GLU A 25 11.353 38.127 30.891 1.00 36.99 C ATOM 245 CD GLU A 25 12.725 38.735 30.690 1.00 39.39 C ATOM 246 OE1 GLU A 25 13.676 38.358 31.409 1.00 40.26 O ATOM 247 OE2 GLU A 25 12.860 39.582 29.784 1.00 44.09 O ATOM 248 H GLU A 25 8.696 38.326 32.463 1.00 0.00 H ATOM 249 N LYS A 26 9.624 36.233 34.772 1.00 30.11 N ATOM 250 CA LYS A 26 9.583 35.471 36.006 1.00 29.62 C ATOM 251 C LYS A 26 8.727 34.200 35.836 1.00 29.82 C ATOM 252 O LYS A 26 9.172 33.087 36.122 1.00 27.49 O ATOM 253 CB LYS A 26 9.024 36.343 37.137 1.00 30.63 C ATOM 254 CG LYS A 26 9.166 35.732 38.537 1.00 30.77 C ATOM 255 CD LYS A 26 7.999 36.143 39.434 1.00 30.38 C ATOM 256 CE LYS A 26 6.684 35.511 39.018 1.00 28.14 C ATOM 257 NZ LYS A 26 5.522 36.054 39.771 1.00 30.25 N ATOM 258 HZ1 LYS A 26 5.655 35.875 40.787 1.00 0.00 H ATOM 259 HZ2 LYS A 26 5.450 37.078 39.604 1.00 0.00 H ATOM 260 HZ3 LYS A 26 4.651 35.587 39.446 1.00 0.00 H ATOM 261 H LYS A 26 9.238 37.199 34.767 1.00 0.00 H ATOM 262 N SER A 27 7.498 34.378 35.368 1.00 30.62 N ATOM 263 CA SER A 27 6.571 33.263 35.192 1.00 31.83 C ATOM 264 C SER A 27 7.127 32.190 34.269 1.00 31.88 C ATOM 265 O SER A 27 7.115 31.001 34.637 1.00 29.36 O ATOM 266 CB SER A 27 5.222 33.745 34.663 1.00 31.93 C ATOM 267 OG SER A 27 4.584 34.531 35.635 1.00 34.45 O ATOM 268 HG SER A 27 5.151 35.314 35.849 1.00 0.00 H ATOM 269 H SER A 27 7.186 35.339 35.120 1.00 0.00 H ATOM 270 N ASN A 28 7.607 32.617 33.083 1.00 32.44 N ATOM 271 CA ASN A 28 8.195 31.706 32.100 1.00 30.87 C ATOM 272 C ASN A 28 9.390 30.963 32.698 1.00 29.66 C ATOM 273 O ASN A 28 9.469 29.752 32.577 1.00 28.37 O ATOM 274 CB ASN A 28 8.628 32.447 30.833 1.00 31.94 C ATOM 275 CG ASN A 28 7.456 32.912 29.978 1.00 33.58 C ATOM 276 OD1 ASN A 28 6.311 32.472 30.148 1.00 33.93 O ATOM 277 ND2 ASN A 28 7.746 33.807 29.037 1.00 32.63 N ATOM 278 HD22 ASN A 28 8.722 34.150 28.929 1.00 0.00 H ATOM 279 HD21 ASN A 28 6.997 34.163 28.410 1.00 0.00 H ATOM 280 H ASN A 28 7.557 33.631 32.859 1.00 0.00 H ATOM 281 N PHE A 29 10.301 31.682 33.360 1.00 28.86 N ATOM 282 CA PHE A 29 11.460 31.042 33.990 1.00 28.07 C ATOM 283 C PHE A 29 10.962 30.003 34.974 1.00 28.17 C ATOM 284 O PHE A 29 11.500 28.905 35.038 1.00 28.17 O ATOM 285 CB PHE A 29 12.338 32.063 34.726 1.00 27.98 C ATOM 286 CG PHE A 29 13.560 31.472 35.418 1.00 26.35 C ATOM 287 CD1 PHE A 29 13.460 30.923 36.682 1.00 25.31 C ATOM 288 CD2 PHE A 29 14.821 31.539 34.818 1.00 27.28 C ATOM 289 CE1 PHE A 29 14.574 30.417 37.346 1.00 26.12 C ATOM 290 CE2 PHE A 29 15.951 31.052 35.468 1.00 26.40 C ATOM 291 CZ PHE A 29 15.828 30.482 36.735 1.00 26.93 C ATOM 292 H PHE A 29 10.186 32.713 33.430 1.00 0.00 H ATOM 293 N PHE A 30 9.918 30.344 35.722 1.00 28.44 N ATOM 294 CA PHE A 30 9.372 29.414 36.715 1.00 29.83 C ATOM 295 C PHE A 30 8.897 28.106 36.066 1.00 29.49 C ATOM 296 O PHE A 30 9.259 27.011 36.541 1.00 29.14 O ATOM 297 CB PHE A 30 8.259 30.086 37.539 1.00 31.17 C ATOM 298 CG PHE A 30 7.633 29.196 38.572 1.00 33.61 C ATOM 299 CD1 PHE A 30 8.255 28.987 39.808 1.00 36.04 C ATOM 300 CD2 PHE A 30 6.403 28.572 38.324 1.00 34.92 C ATOM 301 CE1 PHE A 30 7.680 28.166 40.780 1.00 36.20 C ATOM 302 CE2 PHE A 30 5.829 27.745 39.290 1.00 36.49 C ATOM 303 CZ PHE A 30 6.470 27.541 40.514 1.00 36.47 C ATOM 304 H PHE A 30 9.483 31.281 35.602 1.00 0.00 H ATOM 305 N LYS A 31 8.091 28.222 34.998 1.00 26.89 N ATOM 306 CA LYS A 31 7.549 27.053 34.294 1.00 26.77 C ATOM 307 C LYS A 31 8.611 26.191 33.576 1.00 26.49 C ATOM 308 O LYS A 31 8.531 24.957 33.572 1.00 26.37 O ATOM 309 CB LYS A 31 6.446 27.474 33.301 1.00 28.98 C ATOM 310 CG LYS A 31 5.285 28.201 33.983 1.00 31.00 C ATOM 311 CD LYS A 31 4.134 28.540 33.049 1.00 33.85 C ATOM 312 CE LYS A 31 4.516 29.656 32.084 1.00 35.83 C ATOM 313 NZ LYS A 31 3.408 30.628 31.868 1.00 36.87 N ATOM 314 HZ1 LYS A 31 2.584 30.131 31.473 1.00 0.00 H ATOM 315 HZ2 LYS A 31 3.149 31.064 32.776 1.00 0.00 H ATOM 316 HZ3 LYS A 31 3.720 31.366 31.204 1.00 0.00 H ATOM 317 H LYS A 31 7.842 29.173 34.658 1.00 0.00 H ATOM 318 N GLU A 32 9.585 26.842 32.956 1.00 26.67 N ATOM 319 CA GLU A 32 10.620 26.139 32.208 1.00 28.73 C ATOM 320 C GLU A 32 11.574 25.368 33.119 1.00 27.40 C ATOM 321 O GLU A 32 11.925 24.212 32.854 1.00 25.35 O ATOM 322 CB GLU A 32 11.404 27.130 31.357 1.00 32.20 C ATOM 323 CG GLU A 32 10.669 27.609 30.111 1.00 35.76 C ATOM 324 CD GLU A 32 11.263 28.907 29.591 1.00 38.36 C ATOM 325 OE1 GLU A 32 12.262 29.377 30.172 1.00 38.03 O ATOM 326 OE2 GLU A 32 10.728 29.484 28.626 1.00 40.17 O ATOM 327 H GLU A 32 9.611 27.881 33.004 1.00 0.00 H ATOM 328 N VAL A 33 11.989 26.016 34.207 1.00 26.91 N ATOM 329 CA VAL A 33 12.918 25.386 35.122 1.00 26.09 C ATOM 330 C VAL A 33 12.245 24.220 35.863 1.00 25.24 C ATOM 331 O VAL A 33 12.728 23.090 35.831 1.00 25.08 O ATOM 332 CB VAL A 33 13.541 26.418 36.088 1.00 25.48 C ATOM 333 CG1 VAL A 33 14.368 25.701 37.144 1.00 25.97 C ATOM 334 CG2 VAL A 33 14.402 27.402 35.292 1.00 27.15 C ATOM 335 H VAL A 33 11.644 26.978 34.400 1.00 0.00 H ATOM 336 N LYS A 34 11.135 24.495 36.528 1.00 25.79 N ATOM 337 CA LYS A 34 10.286 23.434 37.073 1.00 25.86 C ATOM 338 C LYS A 34 10.089 22.235 36.125 1.00 26.08 C ATOM 339 O LYS A 34 10.293 21.099 36.524 1.00 24.55 O ATOM 340 CB LYS A 34 8.935 24.018 37.446 1.00 28.03 C ATOM 341 CG LYS A 34 8.612 23.995 38.939 1.00 33.41 C ATOM 342 CD LYS A 34 9.809 24.170 39.856 1.00 33.81 C ATOM 343 CE LYS A 34 9.355 23.861 41.275 1.00 34.70 C ATOM 344 NZ LYS A 34 9.527 22.407 41.563 1.00 32.47 N ATOM 345 HZ1 LYS A 34 8.957 21.852 40.893 1.00 0.00 H ATOM 346 HZ2 LYS A 34 10.530 22.151 41.461 1.00 0.00 H ATOM 347 HZ3 LYS A 34 9.214 22.208 42.535 1.00 0.00 H ATOM 348 H LYS A 34 10.859 25.488 36.667 1.00 0.00 H ATOM 349 N LYS A 35 9.703 22.483 34.870 1.00 25.00 N ATOM 350 CA LYS A 35 9.542 21.370 33.891 1.00 26.32 C ATOM 351 C LYS A 35 10.821 20.579 33.663 1.00 25.23 C ATOM 352 O LYS A 35 10.809 19.352 33.735 1.00 26.17 O ATOM 353 CB LYS A 35 9.033 21.873 32.515 1.00 27.06 C ATOM 354 CG LYS A 35 8.351 20.779 31.707 1.00 28.76 C ATOM 355 CD LYS A 35 8.477 20.954 30.195 1.00 31.57 C ATOM 356 CE LYS A 35 7.854 22.230 29.689 1.00 32.31 C ATOM 357 NZ LYS A 35 8.899 23.267 29.438 1.00 33.41 N ATOM 358 HZ1 LYS A 35 9.405 23.469 30.324 1.00 0.00 H ATOM 359 HZ2 LYS A 35 9.570 22.916 28.726 1.00 0.00 H ATOM 360 HZ3 LYS A 35 8.446 24.136 29.090 1.00 0.00 H ATOM 361 H LYS A 35 9.513 23.462 34.573 1.00 0.00 H ATOM 362 N LYS A 36 11.911 21.272 33.322 1.00 25.02 N ATOM 363 CA LYS A 36 13.191 20.601 33.143 1.00 25.12 C ATOM 364 C LYS A 36 13.540 19.801 34.409 1.00 23.82 C ATOM 365 O LYS A 36 14.075 18.683 34.321 1.00 23.68 O ATOM 366 CB LYS A 36 14.322 21.598 32.833 1.00 25.61 C ATOM 367 CG LYS A 36 15.696 20.955 32.568 1.00 27.14 C ATOM 368 CD LYS A 36 15.714 20.155 31.252 1.00 29.01 C ATOM 369 CE LYS A 36 16.968 19.291 31.104 1.00 31.76 C ATOM 370 NZ LYS A 36 17.161 18.733 29.715 1.00 31.05 N ATOM 371 HZ1 LYS A 36 16.344 18.140 29.465 1.00 0.00 H ATOM 372 HZ2 LYS A 36 17.243 19.517 29.036 1.00 0.00 H ATOM 373 HZ3 LYS A 36 18.028 18.160 29.690 1.00 0.00 H ATOM 374 H LYS A 36 11.845 22.301 33.183 1.00 0.00 H ATOM 375 N ALA A 37 13.260 20.376 35.578 1.00 24.07 N ATOM 376 CA ALA A 37 13.560 19.656 36.854 1.00 24.75 C ATOM 377 C ALA A 37 12.781 18.338 36.912 1.00 26.27 C ATOM 378 O ALA A 37 13.364 17.261 37.151 1.00 27.18 O ATOM 379 CB ALA A 37 13.253 20.522 38.055 1.00 23.14 C ATOM 380 H ALA A 37 12.833 21.324 35.603 1.00 0.00 H ATOM 381 N SER A 38 11.479 18.402 36.633 1.00 26.31 N ATOM 382 CA SER A 38 10.663 17.223 36.812 1.00 27.93 C ATOM 383 C SER A 38 10.929 16.168 35.785 1.00 27.03 C ATOM 384 O SER A 38 10.808 15.001 36.100 1.00 26.42 O ATOM 385 CB SER A 38 9.188 17.573 36.913 1.00 29.82 C ATOM 386 OG SER A 38 9.022 18.388 38.067 1.00 31.43 O ATOM 387 HG SER A 38 9.568 19.208 37.971 1.00 0.00 H ATOM 388 H SER A 38 11.056 19.289 36.291 1.00 0.00 H ATOM 389 N GLU A 39 11.300 16.588 34.574 1.00 28.32 N ATOM 390 CA GLU A 39 11.732 15.681 33.496 1.00 29.58 C ATOM 391 C GLU A 39 12.961 14.892 33.928 1.00 29.67 C ATOM 392 O GLU A 39 13.097 13.725 33.592 1.00 31.51 O ATOM 393 CB GLU A 39 12.070 16.467 32.217 1.00 30.78 C ATOM 394 CG GLU A 39 10.856 17.017 31.474 1.00 33.85 C ATOM 395 CD GLU A 39 11.187 18.026 30.373 1.00 34.70 C ATOM 396 OE1 GLU A 39 12.346 18.445 30.206 1.00 33.37 O ATOM 397 OE2 GLU A 39 10.253 18.410 29.644 1.00 41.45 O ATOM 398 H GLU A 39 11.283 17.610 34.381 1.00 0.00 H ATOM 399 N LEU A 40 13.859 15.562 34.649 1.00 28.44 N ATOM 400 CA LEU A 40 15.022 14.931 35.276 1.00 29.29 C ATOM 401 C LEU A 40 14.703 14.242 36.607 1.00 28.49 C ATOM 402 O LEU A 40 15.603 13.682 37.211 1.00 28.67 O ATOM 403 CB LEU A 40 16.122 15.971 35.532 1.00 28.10 C ATOM 404 CG LEU A 40 16.748 16.600 34.286 1.00 27.10 C ATOM 405 CD1 LEU A 40 17.343 17.945 34.716 1.00 24.81 C ATOM 406 CD2 LEU A 40 17.810 15.667 33.719 1.00 25.64 C ATOM 407 H LEU A 40 13.727 16.586 34.773 1.00 0.00 H ATOM 408 N GLY A 41 13.439 14.281 37.035 1.00 27.10 N ATOM 409 CA GLY A 41 12.963 13.489 38.176 1.00 29.18 C ATOM 410 C GLY A 41 13.368 14.098 39.519 1.00 29.46 C ATOM 411 O GLY A 41 13.414 13.412 40.527 1.00 31.20 O ATOM 412 H GLY A 41 12.764 14.898 36.540 1.00 0.00 H ATOM 413 N LEU A 42 13.628 15.394 39.493 1.00 27.32 N ATOM 414 CA LEU A 42 14.105 16.139 40.595 1.00 31.99 C ATOM 415 C LEU A 42 12.978 16.997 41.120 1.00 32.11 C ATOM 416 O LEU A 42 12.178 17.535 40.359 1.00 32.42 O ATOM 417 CB LEU A 42 15.241 17.050 40.124 1.00 31.94 C ATOM 418 CG LEU A 42 16.433 16.361 39.467 1.00 32.41 C ATOM 419 CD1 LEU A 42 17.207 17.413 38.694 1.00 31.54 C ATOM 420 CD2 LEU A 42 17.322 15.673 40.532 1.00 32.11 C ATOM 421 H LEU A 42 13.470 15.901 38.599 1.00 0.00 H ATOM 422 N ASN A 43 12.942 17.137 42.427 1.00 31.00 N ATOM 423 CA ASN A 43 12.150 18.161 43.057 1.00 33.62 C ATOM 424 C ASN A 43 13.054 19.354 43.465 1.00 32.89 C ATOM 425 O ASN A 43 13.596 19.391 44.580 1.00 33.55 O ATOM 426 CB ASN A 43 11.438 17.552 44.264 1.00 36.40 C ATOM 427 CG ASN A 43 10.470 18.509 44.929 1.00 37.57 C ATOM 428 OD1 ASN A 43 10.083 19.525 44.370 1.00 39.06 O ATOM 429 ND2 ASN A 43 10.076 18.170 46.140 1.00 43.64 N ATOM 430 HD22 ASN A 43 10.432 17.296 46.577 1.00 0.00 H ATOM 431 HD21 ASN A 43 9.409 18.777 46.659 1.00 0.00 H ATOM 432 H ASN A 43 13.500 16.491 43.021 1.00 0.00 H ATOM 433 N PHE A 44 13.228 20.302 42.551 1.00 30.98 N ATOM 434 CA PHE A 44 14.020 21.497 42.806 1.00 29.69 C ATOM 435 C PHE A 44 13.125 22.559 43.445 1.00 30.46 C ATOM 436 O PHE A 44 12.095 22.941 42.850 1.00 29.50 O ATOM 437 CB PHE A 44 14.635 21.986 41.491 1.00 31.17 C ATOM 438 CG PHE A 44 15.656 23.076 41.651 1.00 29.25 C ATOM 439 CD1 PHE A 44 16.947 22.776 42.024 1.00 31.01 C ATOM 440 CD2 PHE A 44 15.326 24.400 41.360 1.00 31.27 C ATOM 441 CE1 PHE A 44 17.897 23.785 42.196 1.00 31.10 C ATOM 442 CE2 PHE A 44 16.269 25.409 41.481 1.00 30.96 C ATOM 443 CZ PHE A 44 17.555 25.098 41.900 1.00 31.37 C ATOM 444 H PHE A 44 12.782 20.186 41.619 1.00 0.00 H ATOM 445 N PRO A 45 13.489 23.023 44.669 1.00 25.86 N ATOM 446 CA PRO A 45 12.644 23.923 45.456 1.00 25.72 C ATOM 447 C PRO A 45 12.661 25.395 44.975 1.00 25.53 C ATOM 448 O PRO A 45 13.197 26.289 45.637 1.00 25.28 O ATOM 449 CB PRO A 45 13.223 23.767 46.894 1.00 24.13 C ATOM 450 CG PRO A 45 14.691 23.555 46.634 1.00 23.63 C ATOM 451 CD PRO A 45 14.795 22.789 45.339 1.00 26.45 C ATOM 452 N LEU A 46 12.064 25.638 43.806 1.00 27.79 N ATOM 453 CA LEU A 46 11.906 26.993 43.279 1.00 26.14 C ATOM 454 C LEU A 46 10.449 27.367 43.456 1.00 27.90 C ATOM 455 O LEU A 46 9.540 26.674 42.943 1.00 27.72 O ATOM 456 CB LEU A 46 12.284 27.023 41.803 1.00 27.69 C ATOM 457 CG LEU A 46 12.251 28.309 40.974 1.00 27.49 C ATOM 458 CD1 LEU A 46 13.376 29.269 41.315 1.00 25.81 C ATOM 459 CD2 LEU A 46 12.331 27.924 39.513 1.00 25.13 C ATOM 460 H LEU A 46 11.699 24.837 43.252 1.00 0.00 H ATOM 461 N VAL A 47 10.223 28.469 44.179 1.00 27.78 N ATOM 462 CA VAL A 47 8.871 28.870 44.574 1.00 28.07 C ATOM 463 C VAL A 47 8.651 30.368 44.320 1.00 29.43 C ATOM 464 O VAL A 47 9.602 31.109 44.055 1.00 28.74 O ATOM 465 CB VAL A 47 8.524 28.404 46.040 1.00 29.09 C ATOM 466 CG1 VAL A 47 9.066 27.001 46.306 1.00 27.13 C ATOM 467 CG2 VAL A 47 9.061 29.347 47.116 1.00 28.89 C ATOM 468 H VAL A 47 11.030 29.058 44.469 1.00 0.00 H ATOM 469 N GLN A 48 7.391 30.802 44.352 1.00 31.84 N ATOM 470 CA GLN A 48 7.052 32.203 44.067 1.00 34.80 C ATOM 471 C GLN A 48 7.504 33.143 45.167 1.00 36.66 C ATOM 472 O GLN A 48 7.334 32.848 46.357 1.00 38.37 O ATOM 473 CB GLN A 48 5.547 32.354 43.831 1.00 37.44 C ATOM 474 CG GLN A 48 5.011 31.431 42.733 1.00 37.56 C ATOM 475 CD GLN A 48 5.110 32.020 41.325 1.00 38.89 C ATOM 476 OE1 GLN A 48 5.580 33.145 41.130 1.00 39.32 O ATOM 477 NE2 GLN A 48 4.627 31.277 40.352 1.00 38.38 N ATOM 478 HE22 GLN A 48 4.240 30.334 40.560 1.00 0.00 H ATOM 479 HE21 GLN A 48 4.632 31.632 39.375 1.00 0.00 H ATOM 480 H GLN A 48 6.630 30.133 44.584 1.00 0.00 H ATOM 481 N GLY A 49 8.090 34.276 44.777 1.00 37.28 N ATOM 482 CA GLY A 49 8.607 35.247 45.753 1.00 37.34 C ATOM 483 C GLY A 49 7.698 36.456 45.782 1.00 38.83 C ATOM 484 O GLY A 49 7.209 36.861 46.837 1.00 38.26 O ATOM 485 H GLY A 49 8.183 34.477 43.761 1.00 0.00 H ATOM 486 N SER A 50 7.455 37.007 44.591 1.00 38.42 N ATOM 487 CA SER A 50 6.649 38.201 44.421 1.00 40.63 C ATOM 488 C SER A 50 6.254 38.327 42.937 1.00 41.26 C ATOM 489 O SER A 50 6.355 37.349 42.157 1.00 39.79 O ATOM 490 CB SER A 50 7.407 39.451 44.932 1.00 42.17 C ATOM 491 OG SER A 50 8.514 39.783 44.094 1.00 41.34 O ATOM 492 HG SER A 50 9.148 39.023 44.071 1.00 0.00 H ATOM 493 H SER A 50 7.863 36.559 43.745 1.00 0.00 H ATOM 494 N GLY A 51 5.782 39.519 42.561 1.00 40.48 N ATOM 495 CA GLY A 51 5.411 39.823 41.184 1.00 38.72 C ATOM 496 C GLY A 51 6.522 39.585 40.167 1.00 37.12 C ATOM 497 O GLY A 51 6.241 39.194 39.030 1.00 37.78 O ATOM 498 H GLY A 51 5.675 40.262 43.281 1.00 0.00 H ATOM 499 N ASN A 52 7.769 39.807 40.583 1.00 34.50 N ATOM 500 CA ASN A 52 8.936 39.778 39.703 1.00 36.54 C ATOM 501 C ASN A 52 10.112 38.980 40.298 1.00 33.19 C ATOM 502 O ASN A 52 11.238 39.068 39.821 1.00 31.91 O ATOM 503 CB ASN A 52 9.412 41.215 39.421 1.00 40.28 C ATOM 504 CG ASN A 52 10.013 41.892 40.663 1.00 43.06 C ATOM 505 OD1 ASN A 52 11.103 42.476 40.610 1.00 48.07 O ATOM 506 ND2 ASN A 52 9.319 41.788 41.787 1.00 44.34 N ATOM 507 HD22 ASN A 52 8.407 41.289 41.790 1.00 0.00 H ATOM 508 HD21 ASN A 52 9.687 42.205 42.666 1.00 0.00 H ATOM 509 H ASN A 52 7.920 40.013 41.591 1.00 0.00 H ATOM 510 N SER A 53 9.858 38.225 41.355 1.00 30.95 N ATOM 511 CA SER A 53 10.940 37.462 41.982 1.00 29.57 C ATOM 512 C SER A 53 10.532 36.057 42.364 1.00 26.44 C ATOM 513 O SER A 53 9.370 35.789 42.676 1.00 23.69 O ATOM 514 CB SER A 53 11.526 38.193 43.200 1.00 29.42 C ATOM 515 OG SER A 53 10.723 37.957 44.334 1.00 30.47 O ATOM 516 HG SER A 53 9.806 38.290 44.163 1.00 0.00 H ATOM 517 H SER A 53 8.893 38.174 41.739 1.00 0.00 H ATOM 518 N LEU A 54 11.533 35.170 42.309 1.00 26.97 N ATOM 519 CA LEU A 54 11.422 33.791 42.785 1.00 26.18 C ATOM 520 C LEU A 54 12.516 33.542 43.811 1.00 26.86 C ATOM 521 O LEU A 54 13.451 34.317 43.916 1.00 27.17 O ATOM 522 CB LEU A 54 11.581 32.797 41.645 1.00 26.10 C ATOM 523 CG LEU A 54 10.667 33.042 40.441 1.00 24.36 C ATOM 524 CD1 LEU A 54 11.114 32.182 39.264 1.00 25.44 C ATOM 525 CD2 LEU A 54 9.206 32.778 40.838 1.00 24.27 C ATOM 526 H LEU A 54 12.440 35.478 41.905 1.00 0.00 H ATOM 527 N LEU A 55 12.369 32.450 44.546 1.00 25.38 N ATOM 528 CA LEU A 55 13.347 31.994 45.524 1.00 26.24 C ATOM 529 C LEU A 55 13.738 30.556 45.187 1.00 26.17 C ATOM 530 O LEU A 55 12.869 29.755 44.792 1.00 25.38 O ATOM 531 CB LEU A 55 12.748 32.047 46.934 1.00 24.81 C ATOM 532 CG LEU A 55 12.433 33.466 47.427 1.00 25.45 C ATOM 533 CD1 LEU A 55 11.160 33.527 48.255 1.00 26.20 C ATOM 534 CD2 LEU A 55 13.618 34.018 48.209 1.00 25.38 C ATOM 535 H LEU A 55 11.505 31.885 44.417 1.00 0.00 H ATOM 536 N ILE A 56 15.022 30.249 45.320 1.00 24.07 N ATOM 537 CA ILE A 56 15.441 28.862 45.388 1.00 23.14 C ATOM 538 C ILE A 56 15.568 28.636 46.900 1.00 23.21 C ATOM 539 O ILE A 56 16.337 29.302 47.525 1.00 21.90 O ATOM 540 CB ILE A 56 16.791 28.633 44.708 1.00 21.73 C ATOM 541 CG1 ILE A 56 16.638 28.861 43.183 1.00 22.33 C ATOM 542 CG2 ILE A 56 17.287 27.218 45.045 1.00 21.66 C ATOM 543 CD1 ILE A 56 17.968 28.895 42.422 1.00 23.59 C ATOM 544 H ILE A 56 15.732 31.007 45.376 1.00 0.00 H ATOM 545 N GLU A 57 14.777 27.730 47.450 1.00 23.52 N ATOM 546 CA GLU A 57 14.836 27.414 48.886 1.00 25.53 C ATOM 547 C GLU A 57 16.014 26.524 49.221 1.00 24.73 C ATOM 548 O GLU A 57 16.763 26.139 48.342 1.00 21.93 O ATOM 549 CB GLU A 57 13.523 26.772 49.347 1.00 25.65 C ATOM 550 CG GLU A 57 12.396 27.755 49.241 1.00 28.09 C ATOM 551 CD GLU A 57 11.088 27.243 49.748 1.00 32.19 C ATOM 552 OE1 GLU A 57 10.858 26.019 49.725 1.00 36.25 O ATOM 553 OE2 GLU A 57 10.290 28.093 50.155 1.00 35.66 O ATOM 554 H GLU A 57 14.093 27.226 46.850 1.00 0.00 H ATOM 555 N ALA A 58 16.179 26.216 50.514 1.00 26.69 N ATOM 556 CA ALA A 58 17.311 25.438 50.982 1.00 26.90 C ATOM 557 C ALA A 58 17.152 23.980 50.584 1.00 26.79 C ATOM 558 O ALA A 58 16.039 23.492 50.475 1.00 29.35 O ATOM 559 CB ALA A 58 17.464 25.575 52.520 1.00 27.03 C ATOM 560 H ALA A 58 15.474 26.545 51.204 1.00 0.00 H ATOM 561 N SER A 59 18.266 23.279 50.379 1.00 28.05 N ATOM 562 CA SER A 59 18.243 21.829 50.161 1.00 28.68 C ATOM 563 C SER A 59 17.800 21.090 51.440 1.00 32.53 C ATOM 564 O SER A 59 17.891 21.664 52.541 1.00 31.79 O ATOM 565 CB SER A 59 19.623 21.370 49.738 1.00 27.59 C ATOM 566 OG SER A 59 20.572 21.643 50.764 1.00 31.00 O ATOM 567 HG SER A 59 21.468 21.338 50.473 1.00 0.00 H ATOM 568 H SER A 59 19.180 23.775 50.373 1.00 0.00 H ATOM 569 N ASN A 60 17.333 19.838 51.292 1.00 34.40 N ATOM 570 CA ASN A 60 16.993 18.945 52.437 1.00 39.20 C ATOM 571 C ASN A 60 17.816 17.663 52.325 1.00 40.33 C ATOM 572 O ASN A 60 17.275 16.571 52.103 1.00 41.15 O ATOM 573 CB ASN A 60 15.491 18.613 52.483 1.00 43.95 C ATOM 574 CG ASN A 60 15.036 17.992 53.818 1.00 52.90 C ATOM 575 OD1 ASN A 60 15.746 17.188 54.451 1.00 55.43 O ATOM 576 ND2 ASN A 60 13.815 18.350 54.239 1.00 53.50 N ATOM 577 HD22 ASN A 60 13.251 19.024 53.684 1.00 0.00 H ATOM 578 HD21 ASN A 60 13.432 17.953 55.121 1.00 0.00 H ATOM 579 H ASN A 60 17.202 19.473 50.327 1.00 0.00 H ATOM 580 N TYR A 61 19.130 17.826 52.475 1.00 38.48 N ATOM 581 CA TYR A 61 20.114 16.764 52.295 1.00 39.09 C ATOM 582 C TYR A 61 20.026 15.768 53.467 1.00 41.04 C ATOM 583 O TYR A 61 19.788 16.183 54.600 1.00 43.81 O ATOM 584 CB TYR A 61 21.490 17.425 52.266 1.00 37.13 C ATOM 585 CG TYR A 61 22.632 16.623 51.704 1.00 38.26 C ATOM 586 CD1 TYR A 61 22.791 16.515 50.350 1.00 37.21 C ATOM 587 CD2 TYR A 61 23.608 16.036 52.536 1.00 38.81 C ATOM 588 CE1 TYR A 61 23.848 15.827 49.792 1.00 38.28 C ATOM 589 CE2 TYR A 61 24.686 15.338 51.983 1.00 40.31 C ATOM 590 CZ TYR A 61 24.786 15.248 50.593 1.00 41.42 C ATOM 591 OH TYR A 61 25.806 14.582 49.950 1.00 44.58 O ATOM 592 HH TYR A 61 25.676 14.647 48.971 1.00 0.00 H ATOM 593 H TYR A 61 19.476 18.771 52.737 1.00 0.00 H ATOM 594 N PRO A 62 20.204 14.458 53.202 1.00 39.34 N ATOM 595 CA PRO A 62 20.411 13.784 51.901 1.00 37.33 C ATOM 596 C PRO A 62 19.123 13.372 51.177 1.00 38.76 C ATOM 597 O PRO A 62 19.168 12.954 49.986 1.00 39.46 O ATOM 598 CB PRO A 62 21.212 12.548 52.296 1.00 39.49 C ATOM 599 CG PRO A 62 20.673 12.197 53.649 1.00 40.26 C ATOM 600 CD PRO A 62 20.286 13.496 54.326 1.00 38.35 C ATOM 601 N ILE A 63 17.986 13.507 51.864 1.00 37.96 N ATOM 602 CA ILE A 63 16.659 13.190 51.298 1.00 36.95 C ATOM 603 C ILE A 63 16.391 13.907 49.971 1.00 35.17 C ATOM 604 O ILE A 63 16.206 13.237 48.924 1.00 33.66 O ATOM 605 CB ILE A 63 15.547 13.519 52.307 1.00 39.72 C ATOM 606 CG1 ILE A 63 15.765 12.750 53.616 1.00 42.23 C ATOM 607 CG2 ILE A 63 14.175 13.235 51.713 1.00 43.93 C ATOM 608 CD1 ILE A 63 15.563 13.617 54.847 1.00 42.02 C ATOM 609 H ILE A 63 18.037 13.852 52.844 1.00 0.00 H ATOM 610 N ASN A 64 16.365 15.250 50.018 1.00 31.40 N ATOM 611 CA ASN A 64 16.312 16.110 48.817 1.00 29.55 C ATOM 612 C ASN A 64 17.581 16.948 48.701 1.00 28.36 C ATOM 613 O ASN A 64 17.707 17.950 49.397 1.00 31.09 O ATOM 614 CB ASN A 64 15.068 17.034 48.823 1.00 29.44 C ATOM 615 CG ASN A 64 14.852 17.778 47.490 1.00 31.58 C ATOM 616 OD1 ASN A 64 15.500 17.496 46.451 1.00 30.11 O ATOM 617 ND2 ASN A 64 13.925 18.729 47.508 1.00 31.12 N ATOM 618 HD22 ASN A 64 13.408 18.935 48.387 1.00 0.00 H ATOM 619 HD21 ASN A 64 13.716 19.268 46.643 1.00 0.00 H ATOM 620 H ASN A 64 16.383 15.709 50.951 1.00 0.00 H ATOM 621 N PRO A 65 18.543 16.540 47.844 1.00 27.04 N ATOM 622 CA PRO A 65 19.785 17.326 47.671 1.00 26.68 C ATOM 623 C PRO A 65 19.606 18.700 47.002 1.00 25.67 C ATOM 624 O PRO A 65 20.527 19.514 47.022 1.00 23.74 O ATOM 625 CB PRO A 65 20.649 16.446 46.771 1.00 26.60 C ATOM 626 CG PRO A 65 20.020 15.101 46.755 1.00 27.37 C ATOM 627 CD PRO A 65 18.574 15.282 47.082 1.00 27.71 C ATOM 628 N CYS A 66 18.438 18.941 46.392 1.00 26.62 N ATOM 629 CA CYS A 66 18.208 20.189 45.640 1.00 26.72 C ATOM 630 C CYS A 66 17.992 21.430 46.501 1.00 25.57 C ATOM 631 O CYS A 66 17.180 21.411 47.421 1.00 26.41 O ATOM 632 CB CYS A 66 17.034 20.035 44.678 1.00 25.61 C ATOM 633 SG CYS A 66 17.393 18.969 43.285 1.00 26.65 S ATOM 634 H CYS A 66 17.678 18.234 46.450 1.00 0.00 H ATOM 635 N GLY A 67 18.714 22.505 46.173 1.00 25.61 N ATOM 636 CA GLY A 67 18.523 23.813 46.800 1.00 25.24 C ATOM 637 C GLY A 67 19.811 24.419 47.364 1.00 24.80 C ATOM 638 O GLY A 67 20.890 23.928 47.111 1.00 25.71 O ATOM 639 H GLY A 67 19.445 22.408 45.439 1.00 0.00 H ATOM 640 N CYS A 68 19.670 25.484 48.133 1.00 25.53 N ATOM 641 CA CYS A 68 20.782 26.232 48.716 1.00 26.39 C ATOM 642 C CYS A 68 21.294 25.672 50.013 1.00 26.30 C ATOM 643 O CYS A 68 20.518 25.193 50.853 1.00 26.22 O ATOM 644 CB CYS A 68 20.324 27.643 49.017 1.00 27.04 C ATOM 645 SG CYS A 68 19.862 28.548 47.547 1.00 27.62 S ATOM 646 H CYS A 68 18.704 25.812 48.337 1.00 0.00 H ATOM 647 N TYR A 69 22.608 25.765 50.205 1.00 27.69 N ATOM 648 CA TYR A 69 23.197 25.460 51.504 1.00 28.32 C ATOM 649 C TYR A 69 24.445 26.287 51.711 1.00 29.10 C ATOM 650 O TYR A 69 24.990 26.813 50.746 1.00 29.92 O ATOM 651 CB TYR A 69 23.485 23.961 51.662 1.00 29.23 C ATOM 652 CG TYR A 69 24.656 23.412 50.882 1.00 28.73 C ATOM 653 CD1 TYR A 69 24.499 23.062 49.569 1.00 27.61 C ATOM 654 CD2 TYR A 69 25.917 23.178 51.490 1.00 28.20 C ATOM 655 CE1 TYR A 69 25.541 22.533 48.831 1.00 28.44 C ATOM 656 CE2 TYR A 69 26.982 22.639 50.744 1.00 29.41 C ATOM 657 CZ TYR A 69 26.765 22.328 49.400 1.00 28.44 C ATOM 658 OH TYR A 69 27.732 21.825 48.577 1.00 29.68 O ATOM 659 HH TYR A 69 27.353 21.682 47.674 1.00 0.00 H ATOM 660 H TYR A 69 23.222 26.059 49.419 1.00 0.00 H ATOM 661 N ILE A 70 24.887 26.405 52.963 1.00 28.24 N ATOM 662 CA ILE A 70 26.148 27.061 53.266 1.00 30.57 C ATOM 663 C ILE A 70 27.283 26.004 53.283 1.00 31.14 C ATOM 664 O ILE A 70 27.205 25.018 53.997 1.00 28.66 O ATOM 665 CB ILE A 70 26.094 27.833 54.607 1.00 31.86 C ATOM 666 CG1 ILE A 70 24.874 28.763 54.689 1.00 33.13 C ATOM 667 CG2 ILE A 70 27.355 28.659 54.786 1.00 31.69 C ATOM 668 CD1 ILE A 70 24.527 29.175 56.131 1.00 34.66 C ATOM 669 H ILE A 70 24.316 26.018 53.742 1.00 0.00 H ATOM 670 N SER A 71 28.310 26.200 52.454 1.00 33.08 N ATOM 671 CA SER A 71 29.411 25.230 52.340 1.00 34.09 C ATOM 672 C SER A 71 30.344 25.402 53.544 1.00 37.43 C ATOM 673 O SER A 71 30.239 26.404 54.256 1.00 38.36 O ATOM 674 CB SER A 71 30.137 25.384 50.993 1.00 33.57 C ATOM 675 OG SER A 71 30.700 26.671 50.853 1.00 35.99 O ATOM 676 HG SER A 71 29.982 27.351 50.902 1.00 0.00 H ATOM 677 H SER A 71 28.333 27.062 51.872 1.00 0.00 H ATOM 678 N PRO A 72 31.245 24.423 53.814 1.00 41.20 N ATOM 679 CA PRO A 72 32.017 24.573 55.077 1.00 43.13 C ATOM 680 C PRO A 72 32.952 25.787 55.102 1.00 42.53 C ATOM 681 O PRO A 72 33.470 26.117 56.164 1.00 45.33 O ATOM 682 CB PRO A 72 32.827 23.277 55.155 1.00 44.23 C ATOM 683 CG PRO A 72 32.987 22.865 53.727 1.00 44.90 C ATOM 684 CD PRO A 72 31.731 23.290 53.003 1.00 41.33 C ATOM 685 N GLY A 73 33.196 26.421 53.954 1.00 39.77 N ATOM 686 CA GLY A 73 33.924 27.698 53.939 1.00 37.71 C ATOM 687 C GLY A 73 33.043 28.933 54.145 1.00 35.17 C ATOM 688 O GLY A 73 33.534 30.052 54.192 1.00 34.30 O ATOM 689 H GLY A 73 32.867 26.007 53.059 1.00 0.00 H ATOM 690 N GLY A 74 31.734 28.732 54.276 1.00 32.95 N ATOM 691 CA GLY A 74 30.800 29.834 54.448 1.00 30.58 C ATOM 692 C GLY A 74 30.325 30.473 53.126 1.00 29.95 C ATOM 693 O GLY A 74 29.907 31.626 53.124 1.00 29.41 O ATOM 694 H GLY A 74 31.368 27.759 54.255 1.00 0.00 H ATOM 695 N LYS A 75 30.407 29.745 52.010 1.00 28.90 N ATOM 696 CA LYS A 75 29.895 30.237 50.737 1.00 29.58 C ATOM 697 C LYS A 75 28.468 29.765 50.540 1.00 29.18 C ATOM 698 O LYS A 75 28.099 28.699 51.033 1.00 29.72 O ATOM 699 CB LYS A 75 30.753 29.735 49.560 1.00 29.54 C ATOM 700 CG LYS A 75 32.186 30.217 49.609 1.00 33.36 C ATOM 701 CD LYS A 75 32.974 29.925 48.349 1.00 34.08 C ATOM 702 CE LYS A 75 33.298 28.464 48.131 1.00 35.24 C ATOM 703 NZ LYS A 75 33.859 28.394 46.751 1.00 38.79 N ATOM 704 HZ1 LYS A 75 33.149 28.736 46.072 1.00 0.00 H ATOM 705 HZ2 LYS A 75 34.710 28.989 46.693 1.00 0.00 H ATOM 706 HZ3 LYS A 75 34.107 27.409 46.529 1.00 0.00 H ATOM 707 H LYS A 75 30.847 28.804 52.050 1.00 0.00 H ATOM 708 N LEU A 76 27.674 30.548 49.799 1.00 28.81 N ATOM 709 CA LEU A 76 26.373 30.084 49.371 1.00 26.25 C ATOM 710 C LEU A 76 26.559 29.113 48.210 1.00 26.10 C ATOM 711 O LEU A 76 27.233 29.394 47.225 1.00 23.13 O ATOM 712 CB LEU A 76 25.436 31.233 49.012 1.00 28.88 C ATOM 713 CG LEU A 76 24.045 30.876 48.461 1.00 29.99 C ATOM 714 CD1 LEU A 76 23.165 30.319 49.574 1.00 29.50 C ATOM 715 CD2 LEU A 76 23.388 32.082 47.801 1.00 30.65 C ATOM 716 H LEU A 76 27.996 31.499 49.529 1.00 0.00 H ATOM 717 N ALA A 77 25.973 27.937 48.370 1.00 25.66 N ATOM 718 CA ALA A 77 26.131 26.886 47.396 1.00 24.85 C ATOM 719 C ALA A 77 24.757 26.447 46.966 1.00 23.89 C ATOM 720 O ALA A 77 23.837 26.420 47.768 1.00 25.29 O ATOM 721 CB ALA A 77 26.889 25.721 48.010 1.00 24.56 C ATOM 722 H ALA A 77 25.388 27.768 49.213 1.00 0.00 H ATOM 723 N ILE A 78 24.598 26.089 45.705 1.00 23.67 N ATOM 724 CA ILE A 78 23.270 25.652 45.242 1.00 22.83 C ATOM 725 C ILE A 78 23.436 24.313 44.550 1.00 23.67 C ATOM 726 O ILE A 78 24.164 24.216 43.555 1.00 23.02 O ATOM 727 CB ILE A 78 22.575 26.690 44.308 1.00 21.84 C ATOM 728 CG1 ILE A 78 22.463 28.039 45.020 1.00 21.29 C ATOM 729 CG2 ILE A 78 21.199 26.183 43.847 1.00 21.64 C ATOM 730 CD1 ILE A 78 21.824 29.169 44.222 1.00 23.61 C ATOM 731 H ILE A 78 25.402 26.115 45.046 1.00 0.00 H ATOM 732 N ASN A 79 22.828 23.272 45.122 1.00 23.79 N ATOM 733 CA ASN A 79 22.827 21.957 44.477 1.00 25.66 C ATOM 734 C ASN A 79 21.644 21.883 43.505 1.00 25.06 C ATOM 735 O ASN A 79 20.514 22.142 43.904 1.00 26.21 O ATOM 736 CB ASN A 79 22.755 20.836 45.511 1.00 26.11 C ATOM 737 CG ASN A 79 22.886 19.457 44.883 1.00 27.87 C ATOM 738 OD1 ASN A 79 22.446 19.239 43.756 1.00 27.62 O ATOM 739 ND2 ASN A 79 23.480 18.520 45.606 1.00 28.69 N ATOM 740 HD22 ASN A 79 23.839 18.745 46.556 1.00 0.00 H ATOM 741 HD21 ASN A 79 23.588 17.559 45.224 1.00 0.00 H ATOM 742 H ASN A 79 22.349 23.396 46.037 1.00 0.00 H ATOM 743 N PHE A 80 21.911 21.559 42.241 1.00 25.00 N ATOM 744 CA PHE A 80 20.861 21.466 41.204 1.00 24.36 C ATOM 745 C PHE A 80 20.409 20.033 40.892 1.00 24.61 C ATOM 746 O PHE A 80 19.659 19.799 39.942 1.00 26.57 O ATOM 747 CB PHE A 80 21.324 22.178 39.921 1.00 23.12 C ATOM 748 CG PHE A 80 21.547 23.650 40.085 1.00 22.84 C ATOM 749 CD1 PHE A 80 20.479 24.526 40.105 1.00 23.00 C ATOM 750 CD2 PHE A 80 22.829 24.166 40.248 1.00 24.44 C ATOM 751 CE1 PHE A 80 20.664 25.888 40.241 1.00 22.83 C ATOM 752 CE2 PHE A 80 23.031 25.525 40.429 1.00 23.59 C ATOM 753 CZ PHE A 80 21.947 26.389 40.407 1.00 23.20 C ATOM 754 H PHE A 80 22.897 21.364 41.973 1.00 0.00 H ATOM 755 N GLY A 81 20.857 19.077 41.694 1.00 25.84 N ATOM 756 CA GLY A 81 20.435 17.675 41.608 1.00 25.60 C ATOM 757 C GLY A 81 21.196 16.951 40.532 1.00 27.38 C ATOM 758 O GLY A 81 21.861 15.937 40.818 1.00 26.82 O ATOM 759 H GLY A 81 21.548 19.336 42.427 1.00 0.00 H ATOM 760 N LYS A 82 21.096 17.474 39.289 1.00 27.61 N ATOM 761 CA LYS A 82 21.799 16.927 38.129 1.00 28.08 C ATOM 762 C LYS A 82 22.515 18.005 37.309 1.00 28.73 C ATOM 763 O LYS A 82 22.084 19.159 37.247 1.00 26.66 O ATOM 764 CB LYS A 82 20.836 16.151 37.221 1.00 30.52 C ATOM 765 CG LYS A 82 20.158 14.971 37.886 1.00 34.03 C ATOM 766 CD LYS A 82 20.298 13.710 37.063 1.00 35.91 C ATOM 767 CE LYS A 82 19.894 12.467 37.864 1.00 38.69 C ATOM 768 NZ LYS A 82 18.431 12.495 38.186 1.00 40.35 N ATOM 769 HZ1 LYS A 82 18.218 13.342 38.750 1.00 0.00 H ATOM 770 HZ2 LYS A 82 17.883 12.518 37.302 1.00 0.00 H ATOM 771 HZ3 LYS A 82 18.180 11.644 38.728 1.00 0.00 H ATOM 772 H LYS A 82 20.489 18.307 39.151 1.00 0.00 H ATOM 773 N VAL A 83 23.601 17.597 36.663 1.00 27.36 N ATOM 774 CA VAL A 83 24.384 18.451 35.795 1.00 26.88 C ATOM 775 C VAL A 83 23.528 19.116 34.693 1.00 25.94 C ATOM 776 O VAL A 83 23.800 20.229 34.254 1.00 25.29 O ATOM 777 CB VAL A 83 25.594 17.667 35.228 1.00 28.50 C ATOM 778 CG1 VAL A 83 25.177 16.318 34.635 1.00 29.41 C ATOM 779 CG2 VAL A 83 26.368 18.509 34.231 1.00 31.21 C ATOM 780 H VAL A 83 23.906 16.610 36.787 1.00 0.00 H ATOM 781 N GLU A 84 22.468 18.438 34.298 1.00 26.40 N ATOM 782 CA GLU A 84 21.604 18.903 33.206 1.00 26.92 C ATOM 783 C GLU A 84 20.720 20.061 33.674 1.00 25.91 C ATOM 784 O GLU A 84 20.453 20.983 32.905 1.00 26.91 O ATOM 785 CB GLU A 84 20.777 17.753 32.655 1.00 27.18 C ATOM 786 CG GLU A 84 21.559 16.766 31.774 1.00 29.58 C ATOM 787 CD GLU A 84 22.209 15.598 32.536 1.00 34.18 C ATOM 788 OE1 GLU A 84 22.290 15.589 33.804 1.00 30.32 O ATOM 789 OE2 GLU A 84 22.684 14.666 31.835 1.00 36.85 O ATOM 790 H GLU A 84 22.236 17.544 34.776 1.00 0.00 H ATOM 791 N LEU A 85 20.328 20.066 34.952 1.00 23.38 N ATOM 792 CA LEU A 85 19.521 21.172 35.445 1.00 22.83 C ATOM 793 C LEU A 85 20.419 22.400 35.616 1.00 21.82 C ATOM 794 O LEU A 85 20.005 23.529 35.379 1.00 20.61 O ATOM 795 CB LEU A 85 18.745 20.785 36.738 1.00 22.87 C ATOM 796 CG LEU A 85 17.621 21.708 37.227 1.00 22.93 C ATOM 797 CD1 LEU A 85 16.536 21.903 36.171 1.00 24.12 C ATOM 798 CD2 LEU A 85 17.009 21.219 38.555 1.00 23.50 C ATOM 799 H LEU A 85 20.597 19.288 35.587 1.00 0.00 H ATOM 800 N SER A 86 21.667 22.167 36.009 1.00 23.38 N ATOM 801 CA SER A 86 22.651 23.243 36.171 1.00 24.23 C ATOM 802 C SER A 86 22.855 23.919 34.805 1.00 25.37 C ATOM 803 O SER A 86 22.811 25.137 34.673 1.00 24.18 O ATOM 804 CB SER A 86 23.979 22.653 36.599 1.00 24.95 C ATOM 805 OG SER A 86 24.934 23.686 36.810 1.00 28.01 O ATOM 806 HG SER A 86 25.795 23.286 37.089 1.00 0.00 H ATOM 807 H SER A 86 21.956 21.188 36.209 1.00 0.00 H ATOM 808 N HIS A 87 23.115 23.085 33.803 1.00 27.39 N ATOM 809 CA HIS A 87 23.330 23.551 32.443 1.00 28.32 C ATOM 810 C HIS A 87 22.156 24.364 31.960 1.00 27.91 C ATOM 811 O HIS A 87 22.347 25.283 31.151 1.00 29.86 O ATOM 812 CB HIS A 87 23.554 22.354 31.530 1.00 30.40 C ATOM 813 CG HIS A 87 24.937 21.783 31.589 1.00 33.01 C ATOM 814 ND1 HIS A 87 25.885 22.194 32.503 1.00 34.87 N ATOM 815 CD2 HIS A 87 25.529 20.822 30.839 1.00 35.96 C ATOM 816 CE1 HIS A 87 27.003 21.515 32.308 1.00 36.91 C ATOM 817 NE2 HIS A 87 26.813 20.674 31.302 1.00 37.77 N ATOM 818 H HIS A 87 23.166 22.065 33.999 1.00 0.00 H ATOM 819 N PHE A 88 20.953 24.013 32.437 1.00 26.66 N ATOM 820 CA PHE A 88 19.706 24.653 32.023 1.00 27.11 C ATOM 821 C PHE A 88 19.497 26.006 32.716 1.00 26.94 C ATOM 822 O PHE A 88 19.172 27.027 32.086 1.00 24.76 O ATOM 823 CB PHE A 88 18.508 23.731 32.330 1.00 28.19 C ATOM 824 CG PHE A 88 17.244 24.129 31.607 1.00 29.42 C ATOM 825 CD1 PHE A 88 17.101 23.898 30.216 1.00 31.41 C ATOM 826 CD2 PHE A 88 16.183 24.731 32.295 1.00 30.69 C ATOM 827 CE1 PHE A 88 15.934 24.276 29.541 1.00 31.35 C ATOM 828 CE2 PHE A 88 15.020 25.124 31.622 1.00 30.87 C ATOM 829 CZ PHE A 88 14.893 24.893 30.249 1.00 31.24 C ATOM 830 H PHE A 88 20.905 23.246 33.138 1.00 0.00 H ATOM 831 N ILE A 89 19.677 26.008 34.034 1.00 24.13 N ATOM 832 CA ILE A 89 19.391 27.195 34.811 1.00 23.88 C ATOM 833 C ILE A 89 20.462 28.290 34.635 1.00 22.37 C ATOM 834 O ILE A 89 20.125 29.411 34.342 1.00 21.58 O ATOM 835 CB ILE A 89 19.163 26.812 36.315 1.00 23.46 C ATOM 836 CG1 ILE A 89 17.883 25.974 36.468 1.00 25.62 C ATOM 837 CG2 ILE A 89 19.074 28.032 37.186 1.00 23.77 C ATOM 838 CD1 ILE A 89 17.765 25.266 37.802 1.00 28.02 C ATOM 839 H ILE A 89 20.026 25.151 34.509 1.00 0.00 H ATOM 840 N LEU A 90 21.742 27.960 34.860 1.00 22.99 N ATOM 841 CA LEU A 90 22.817 28.976 34.934 1.00 21.99 C ATOM 842 C LEU A 90 22.840 30.083 33.879 1.00 23.59 C ATOM 843 O LEU A 90 22.872 31.239 34.275 1.00 24.25 O ATOM 844 CB LEU A 90 24.203 28.316 35.089 1.00 21.64 C ATOM 845 CG LEU A 90 24.286 27.435 36.353 1.00 19.73 C ATOM 846 CD1 LEU A 90 25.670 26.824 36.416 1.00 19.34 C ATOM 847 CD2 LEU A 90 23.892 28.225 37.604 1.00 18.22 C ATOM 848 H LEU A 90 21.988 26.957 34.987 1.00 0.00 H ATOM 849 N PRO A 91 22.817 29.740 32.547 1.00 24.17 N ATOM 850 CA PRO A 91 22.771 30.743 31.452 1.00 25.27 C ATOM 851 C PRO A 91 21.557 31.687 31.527 1.00 27.82 C ATOM 852 O PRO A 91 21.695 32.888 31.261 1.00 28.41 O ATOM 853 CB PRO A 91 22.682 29.892 30.168 1.00 25.96 C ATOM 854 CG PRO A 91 23.212 28.545 30.545 1.00 25.83 C ATOM 855 CD PRO A 91 22.955 28.363 32.031 1.00 23.96 C ATOM 856 N LYS A 92 20.392 31.135 31.882 1.00 28.58 N ATOM 857 CA LYS A 92 19.166 31.889 32.088 1.00 29.41 C ATOM 858 C LYS A 92 19.283 32.851 33.289 1.00 28.79 C ATOM 859 O LYS A 92 18.656 33.923 33.286 1.00 26.58 O ATOM 860 CB LYS A 92 17.995 30.923 32.311 1.00 30.28 C ATOM 861 CG LYS A 92 17.832 29.892 31.197 1.00 33.53 C ATOM 862 CD LYS A 92 16.533 29.107 31.300 1.00 34.31 C ATOM 863 CE LYS A 92 15.342 29.990 31.000 1.00 37.92 C ATOM 864 NZ LYS A 92 15.379 30.520 29.600 1.00 42.06 N ATOM 865 HZ1 LYS A 92 16.244 31.082 29.466 1.00 0.00 H ATOM 866 HZ2 LYS A 92 15.373 29.725 28.929 1.00 0.00 H ATOM 867 HZ3 LYS A 92 14.546 31.120 29.436 1.00 0.00 H ATOM 868 H LYS A 92 20.361 30.105 32.019 1.00 0.00 H ATOM 869 N VAL A 93 20.045 32.455 34.319 1.00 28.90 N ATOM 870 CA VAL A 93 20.367 33.382 35.421 1.00 28.66 C ATOM 871 C VAL A 93 21.501 34.360 35.041 1.00 29.99 C ATOM 872 O VAL A 93 21.543 35.502 35.544 1.00 30.73 O ATOM 873 CB VAL A 93 20.707 32.651 36.731 1.00 28.10 C ATOM 874 CG1 VAL A 93 20.914 33.646 37.858 1.00 26.29 C ATOM 875 CG2 VAL A 93 19.600 31.672 37.105 1.00 27.41 C ATOM 876 H VAL A 93 20.413 31.483 34.341 1.00 0.00 H ATOM 877 N GLY A 94 22.399 33.910 34.161 1.00 39.08 N ATOM 878 CA GLY A 94 23.589 34.665 33.770 1.00 39.80 C ATOM 879 C GLY A 94 24.824 34.342 34.607 1.00 39.61 C ATOM 880 O GLY A 94 25.838 35.060 34.558 1.00 40.10 O ATOM 881 H GLY A 94 22.244 32.975 33.732 1.00 0.00 H ATOM 882 N VAL A 95 24.756 33.253 35.366 1.00 36.63 N ATOM 883 CA VAL A 95 25.820 32.934 36.316 1.00 35.23 C ATOM 884 C VAL A 95 26.940 32.233 35.601 1.00 34.72 C ATOM 885 O VAL A 95 26.710 31.256 34.864 1.00 35.73 O ATOM 886 CB VAL A 95 25.300 32.094 37.502 1.00 31.93 C ATOM 887 CG1 VAL A 95 26.439 31.344 38.179 1.00 31.13 C ATOM 888 CG2 VAL A 95 24.582 32.999 38.481 1.00 32.15 C ATOM 889 H VAL A 95 23.935 32.620 35.283 1.00 0.00 H ATOM 890 N LYS A 96 28.145 32.747 35.812 1.00 34.53 N ATOM 891 CA LYS A 96 29.340 32.297 35.096 1.00 36.60 C ATOM 892 C LYS A 96 30.552 32.105 36.032 1.00 34.70 C ATOM 893 O LYS A 96 30.431 32.239 37.262 1.00 31.97 O ATOM 894 CB LYS A 96 29.652 33.285 33.966 1.00 38.56 C ATOM 895 CG LYS A 96 28.482 33.461 32.996 1.00 44.02 C ATOM 896 CD LYS A 96 28.695 34.611 32.016 1.00 46.94 C ATOM 897 CE LYS A 96 27.682 34.573 30.873 1.00 52.17 C ATOM 898 NZ LYS A 96 27.940 35.616 29.827 1.00 55.48 N ATOM 899 HZ1 LYS A 96 27.892 36.560 30.261 1.00 0.00 H ATOM 900 HZ2 LYS A 96 28.885 35.469 29.418 1.00 0.00 H ATOM 901 HZ3 LYS A 96 27.221 35.540 29.079 1.00 0.00 H ATOM 902 H LYS A 96 28.245 33.504 36.518 1.00 0.00 H ATOM 903 N THR A 97 31.702 31.774 35.445 1.00 35.36 N ATOM 904 CA THR A 97 32.935 31.528 36.197 1.00 35.96 C ATOM 905 C THR A 97 33.328 32.711 37.051 1.00 35.29 C ATOM 906 O THR A 97 33.808 32.519 38.175 1.00 35.14 O ATOM 907 CB THR A 97 34.129 31.168 35.280 1.00 36.79 C ATOM 908 OG1 THR A 97 33.810 29.998 34.536 1.00 36.91 O ATOM 909 CG2 THR A 97 35.410 30.881 36.108 1.00 34.72 C ATOM 910 HG1 THR A 97 34.571 29.764 33.948 1.00 0.00 H ATOM 911 H THR A 97 31.725 31.687 34.409 1.00 0.00 H ATOM 912 N GLU A 98 33.102 33.929 36.558 1.00 36.60 N ATOM 913 CA GLU A 98 33.426 35.108 37.388 1.00 38.03 C ATOM 914 C GLU A 98 32.538 35.219 38.651 1.00 34.78 C ATOM 915 O GLU A 98 32.922 35.871 39.638 1.00 34.50 O ATOM 916 CB GLU A 98 33.423 36.409 36.573 1.00 39.56 C ATOM 917 CG GLU A 98 32.085 36.764 35.933 1.00 42.90 C ATOM 918 CD GLU A 98 32.075 38.140 35.257 1.00 45.25 C ATOM 919 OE1 GLU A 98 33.005 38.447 34.468 1.00 48.21 O ATOM 920 OE2 GLU A 98 31.131 38.920 35.515 1.00 43.40 O ATOM 921 H GLU A 98 32.704 34.047 35.604 1.00 0.00 H ATOM 922 N HIS A 99 31.358 34.597 38.603 1.00 33.90 N ATOM 923 CA HIS A 99 30.384 34.632 39.709 1.00 33.21 C ATOM 924 C HIS A 99 30.548 33.495 40.708 1.00 31.99 C ATOM 925 O HIS A 99 30.428 33.684 41.923 1.00 33.01 O ATOM 926 CB HIS A 99 28.952 34.578 39.161 1.00 35.07 C ATOM 927 CG HIS A 99 28.643 35.668 38.197 1.00 36.04 C ATOM 928 ND1 HIS A 99 28.383 35.431 36.869 1.00 37.14 N ATOM 929 CD2 HIS A 99 28.574 37.010 38.363 1.00 39.21 C ATOM 930 CE1 HIS A 99 28.167 36.580 36.255 1.00 40.22 C ATOM 931 NE2 HIS A 99 28.276 37.554 37.140 1.00 39.96 N ATOM 932 H HIS A 99 31.114 34.062 37.745 1.00 0.00 H ATOM 933 N ALA A 100 30.791 32.299 40.200 1.00 30.30 N ATOM 934 CA ALA A 100 30.788 31.142 41.053 1.00 30.09 C ATOM 935 C ALA A 100 31.753 30.069 40.580 1.00 31.89 C ATOM 936 O ALA A 100 32.157 30.046 39.417 1.00 30.20 O ATOM 937 CB ALA A 100 29.386 30.576 41.124 1.00 30.41 C ATOM 938 H ALA A 100 30.984 32.195 39.183 1.00 0.00 H ATOM 939 N GLU A 101 32.123 29.176 41.497 1.00 32.72 N ATOM 940 CA GLU A 101 32.759 27.916 41.115 1.00 34.06 C ATOM 941 C GLU A 101 31.721 26.969 40.534 1.00 33.08 C ATOM 942 O GLU A 101 30.774 26.580 41.229 1.00 33.19 O ATOM 943 CB GLU A 101 33.365 27.259 42.341 1.00 36.05 C ATOM 944 CG GLU A 101 34.513 28.036 42.926 1.00 39.60 C ATOM 945 CD GLU A 101 35.170 27.235 44.014 1.00 43.35 C ATOM 946 OE1 GLU A 101 34.475 26.939 45.001 1.00 42.24 O ATOM 947 OE2 GLU A 101 36.357 26.889 43.852 1.00 48.31 O ATOM 948 H GLU A 101 31.956 29.379 42.503 1.00 0.00 H ATOM 949 N ILE A 102 31.927 26.605 39.270 1.00 35.57 N ATOM 950 CA ILE A 102 31.076 25.691 38.487 1.00 34.47 C ATOM 951 C ILE A 102 32.025 24.640 37.901 1.00 37.10 C ATOM 952 O ILE A 102 33.087 24.987 37.379 1.00 39.32 O ATOM 953 CB ILE A 102 30.351 26.455 37.349 1.00 33.72 C ATOM 954 CG1 ILE A 102 29.720 27.738 37.884 1.00 30.82 C ATOM 955 CG2 ILE A 102 29.279 25.586 36.676 1.00 32.28 C ATOM 956 CD1 ILE A 102 29.603 28.827 36.848 1.00 29.32 C ATOM 957 H ILE A 102 32.762 27.001 38.793 1.00 0.00 H ATOM 958 N PHE A 103 31.663 23.369 37.990 1.00 39.64 N ATOM 959 CA PHE A 103 32.562 22.278 37.657 1.00 42.18 C ATOM 960 C PHE A 103 31.912 21.385 36.618 1.00 44.57 C ATOM 961 O PHE A 103 30.708 21.310 36.552 1.00 45.42 O ATOM 962 CB PHE A 103 32.911 21.476 38.900 1.00 43.93 C ATOM 963 CG PHE A 103 33.556 22.287 40.011 1.00 44.28 C ATOM 964 CD1 PHE A 103 32.789 23.014 40.920 1.00 43.06 C ATOM 965 CD2 PHE A 103 34.925 22.302 40.165 1.00 45.16 C ATOM 966 CE1 PHE A 103 33.393 23.740 41.940 1.00 41.71 C ATOM 967 CE2 PHE A 103 35.521 23.018 41.183 1.00 43.65 C ATOM 968 CZ PHE A 103 34.767 23.744 42.053 1.00 41.11 C ATOM 969 H PHE A 103 30.699 23.144 38.310 1.00 0.00 H ATOM 970 N LYS A 104 32.724 20.685 35.839 1.00 47.58 N ATOM 971 CA LYS A 104 32.285 19.991 34.642 1.00 49.71 C ATOM 972 C LYS A 104 31.026 19.152 34.775 1.00 50.82 C ATOM 973 O LYS A 104 29.978 19.491 34.212 1.00 52.33 O ATOM 974 CB LYS A 104 33.406 19.105 34.086 1.00 52.70 C ATOM 975 CG LYS A 104 33.341 18.886 32.583 1.00 53.31 C ATOM 976 CD LYS A 104 34.208 17.716 32.137 1.00 57.24 C ATOM 977 CE LYS A 104 33.420 16.805 31.213 1.00 57.34 C ATOM 978 NZ LYS A 104 33.621 15.347 31.451 1.00 60.68 N ATOM 979 HZ1 LYS A 104 34.625 15.111 31.320 1.00 0.00 H ATOM 980 HZ2 LYS A 104 33.332 15.112 32.422 1.00 0.00 H ATOM 981 HZ3 LYS A 104 33.045 14.804 30.776 1.00 0.00 H ATOM 982 H LYS A 104 33.729 20.630 36.099 1.00 0.00 H ATOM 983 N ASP A 105 31.143 18.063 35.514 1.00 48.28 N ATOM 984 CA ASP A 105 30.037 17.120 35.652 1.00 48.26 C ATOM 985 C ASP A 105 29.419 17.257 37.050 1.00 43.24 C ATOM 986 O ASP A 105 28.673 16.380 37.503 1.00 41.97 O ATOM 987 CB ASP A 105 30.465 15.667 35.381 1.00 51.04 C ATOM 988 CG ASP A 105 30.922 15.431 33.942 1.00 54.66 C ATOM 989 OD1 ASP A 105 30.151 15.715 32.988 1.00 56.56 O ATOM 990 OD2 ASP A 105 32.048 14.916 33.770 1.00 55.24 O ATOM 991 H ASP A 105 32.039 17.874 36.006 1.00 0.00 H ATOM 992 N HIS A 106 29.725 18.368 37.720 1.00 38.97 N ATOM 993 CA HIS A 106 29.127 18.647 39.030 1.00 34.69 C ATOM 994 C HIS A 106 27.688 19.132 38.870 1.00 33.69 C ATOM 995 O HIS A 106 27.274 19.628 37.789 1.00 33.32 O ATOM 996 CB HIS A 106 29.979 19.659 39.811 1.00 32.79 C ATOM 997 CG HIS A 106 30.029 19.419 41.295 1.00 32.27 C ATOM 998 ND1 HIS A 106 28.935 19.012 42.035 1.00 31.08 N ATOM 999 CD2 HIS A 106 31.044 19.562 42.181 1.00 33.33 C ATOM 1000 CE1 HIS A 106 29.274 18.918 43.310 1.00 32.07 C ATOM 1001 NE2 HIS A 106 30.545 19.254 43.428 1.00 32.49 N ATOM 1002 H HIS A 106 30.397 19.046 37.308 1.00 0.00 H ATOM 1003 N ASN A 107 26.914 18.978 39.938 1.00 31.08 N ATOM 1004 CA ASN A 107 25.551 19.458 39.996 1.00 29.09 C ATOM 1005 C ASN A 107 25.377 20.621 40.978 1.00 28.28 C ATOM 1006 O ASN A 107 24.262 21.134 41.154 1.00 27.42 O ATOM 1007 CB ASN A 107 24.652 18.309 40.415 1.00 30.36 C ATOM 1008 CG ASN A 107 24.992 17.775 41.782 1.00 29.25 C ATOM 1009 OD1 ASN A 107 25.957 18.220 42.430 1.00 29.60 O ATOM 1010 ND2 ASN A 107 24.200 16.817 42.239 1.00 30.65 N ATOM 1011 HD22 ASN A 107 23.406 16.478 41.659 1.00 0.00 H ATOM 1012 HD21 ASN A 107 24.372 16.403 43.177 1.00 0.00 H ATOM 1013 H ASN A 107 27.305 18.491 40.769 1.00 0.00 H ATOM 1014 N THR A 108 26.479 21.021 41.612 1.00 27.68 N ATOM 1015 CA THR A 108 26.478 22.051 42.657 1.00 26.89 C ATOM 1016 C THR A 108 27.467 23.164 42.330 1.00 26.06 C ATOM 1017 O THR A 108 28.625 22.902 42.031 1.00 26.79 O ATOM 1018 CB THR A 108 26.869 21.456 44.064 1.00 27.32 C ATOM 1019 OG1 THR A 108 26.015 20.348 44.394 1.00 28.65 O ATOM 1020 CG2 THR A 108 26.796 22.502 45.133 1.00 25.85 C ATOM 1021 HG1 THR A 108 26.273 19.986 45.279 1.00 0.00 H ATOM 1022 H THR A 108 27.385 20.581 41.353 1.00 0.00 H ATOM 1023 N ILE A 109 27.005 24.408 42.409 1.00 25.08 N ATOM 1024 CA ILE A 109 27.875 25.586 42.225 1.00 25.31 C ATOM 1025 C ILE A 109 28.126 26.264 43.569 1.00 24.74 C ATOM 1026 O ILE A 109 27.363 26.080 44.517 1.00 23.15 O ATOM 1027 CB ILE A 109 27.296 26.632 41.222 1.00 25.30 C ATOM 1028 CG1 ILE A 109 26.065 27.354 41.820 1.00 25.40 C ATOM 1029 CG2 ILE A 109 26.959 25.965 39.887 1.00 24.93 C ATOM 1030 CD1 ILE A 109 25.755 28.700 41.209 1.00 25.21 C ATOM 1031 H ILE A 109 25.995 24.556 42.607 1.00 0.00 H ATOM 1032 N PHE A 110 29.195 27.053 43.625 1.00 26.46 N ATOM 1033 CA PHE A 110 29.630 27.742 44.846 1.00 26.11 C ATOM 1034 C PHE A 110 29.912 29.211 44.573 1.00 27.01 C ATOM 1035 O PHE A 110 30.883 29.526 43.883 1.00 29.62 O ATOM 1036 CB PHE A 110 30.922 27.081 45.345 1.00 27.66 C ATOM 1037 CG PHE A 110 30.736 25.659 45.796 1.00 29.56 C ATOM 1038 CD1 PHE A 110 30.298 25.369 47.115 1.00 29.20 C ATOM 1039 CD2 PHE A 110 30.944 24.604 44.908 1.00 29.91 C ATOM 1040 CE1 PHE A 110 30.091 24.047 47.502 1.00 31.56 C ATOM 1041 CE2 PHE A 110 30.773 23.285 45.319 1.00 31.11 C ATOM 1042 CZ PHE A 110 30.332 23.000 46.596 1.00 30.58 C ATOM 1043 H PHE A 110 29.752 27.189 42.758 1.00 0.00 H ATOM 1044 N PHE A 111 29.116 30.125 45.118 1.00 26.70 N ATOM 1045 CA PHE A 111 29.392 31.548 44.890 1.00 28.23 C ATOM 1046 C PHE A 111 30.675 32.059 45.573 1.00 29.27 C ATOM 1047 O PHE A 111 30.916 31.761 46.750 1.00 27.65 O ATOM 1048 CB PHE A 111 28.188 32.429 45.236 1.00 27.84 C ATOM 1049 CG PHE A 111 27.033 32.227 44.304 1.00 28.35 C ATOM 1050 CD1 PHE A 111 27.016 32.855 43.050 1.00 27.99 C ATOM 1051 CD2 PHE A 111 25.987 31.367 44.644 1.00 27.17 C ATOM 1052 CE1 PHE A 111 25.967 32.656 42.178 1.00 28.01 C ATOM 1053 CE2 PHE A 111 24.932 31.163 43.760 1.00 28.72 C ATOM 1054 CZ PHE A 111 24.923 31.810 42.522 1.00 27.91 C ATOM 1055 H PHE A 111 28.305 29.834 45.701 1.00 0.00 H ATOM 1056 N HIS A 112 31.491 32.806 44.821 1.00 29.01 N ATOM 1057 CA HIS A 112 32.726 33.362 45.368 1.00 31.10 C ATOM 1058 C HIS A 112 32.395 34.258 46.549 1.00 32.48 C ATOM 1059 O HIS A 112 31.447 35.047 46.490 1.00 34.08 O ATOM 1060 CB HIS A 112 33.512 34.178 44.324 1.00 30.98 C ATOM 1061 CG HIS A 112 33.791 33.450 43.043 1.00 29.98 C ATOM 1062 ND1 HIS A 112 34.332 32.187 43.003 1.00 30.16 N ATOM 1063 CD2 HIS A 112 33.636 33.831 41.750 1.00 30.12 C ATOM 1064 CE1 HIS A 112 34.480 31.813 41.741 1.00 30.41 C ATOM 1065 NE2 HIS A 112 34.072 32.795 40.962 1.00 28.89 N ATOM 1066 H HIS A 112 31.242 32.994 43.829 1.00 0.00 H ATOM 1067 N LYS A 113 33.159 34.135 47.633 1.00 34.76 N ATOM 1068 CA LYS A 113 32.980 35.030 48.773 1.00 37.16 C ATOM 1069 C LYS A 113 33.156 36.495 48.384 1.00 37.58 C ATOM 1070 O LYS A 113 32.433 37.350 48.877 1.00 40.16 O ATOM 1071 CB LYS A 113 33.930 34.674 49.915 1.00 38.77 C ATOM 1072 CG LYS A 113 33.572 33.380 50.606 1.00 39.44 C ATOM 1073 CD LYS A 113 34.132 33.315 52.019 1.00 43.28 C ATOM 1074 CE LYS A 113 33.554 34.415 52.904 1.00 45.09 C ATOM 1075 NZ LYS A 113 32.076 34.564 52.729 1.00 48.16 N ATOM 1076 HZ1 LYS A 113 31.868 34.803 51.739 1.00 0.00 H ATOM 1077 HZ2 LYS A 113 31.607 33.670 52.977 1.00 0.00 H ATOM 1078 HZ3 LYS A 113 31.729 35.323 53.350 1.00 0.00 H ATOM 1079 H LYS A 113 33.889 33.395 47.668 1.00 0.00 H ATOM 1080 N HIS A 114 34.111 36.800 47.506 1.00 33.78 N ATOM 1081 CA HIS A 114 34.308 38.196 47.092 1.00 33.87 C ATOM 1082 C HIS A 114 33.139 38.710 46.214 1.00 33.25 C ATOM 1083 O HIS A 114 33.082 39.891 45.876 1.00 32.26 O ATOM 1084 CB HIS A 114 35.661 38.393 46.381 1.00 33.99 C ATOM 1085 CG HIS A 114 35.700 37.859 44.973 1.00 33.78 C ATOM 1086 ND1 HIS A 114 35.965 36.538 44.685 1.00 33.98 N ATOM 1087 CD2 HIS A 114 35.545 38.479 43.779 1.00 32.31 C ATOM 1088 CE1 HIS A 114 35.954 36.363 43.375 1.00 32.64 C ATOM 1089 NE2 HIS A 114 35.698 37.524 42.803 1.00 32.93 N ATOM 1090 H HIS A 114 34.716 36.051 47.114 1.00 0.00 H ATOM 1091 N LYS A 115 32.188 37.833 45.902 1.00 31.65 N ATOM 1092 CA LYS A 115 31.067 38.198 45.041 1.00 31.75 C ATOM 1093 C LYS A 115 29.724 38.218 45.772 1.00 30.50 C ATOM 1094 O LYS A 115 28.910 39.127 45.584 1.00 28.89 O ATOM 1095 CB LYS A 115 31.014 37.251 43.850 1.00 31.41 C ATOM 1096 CG LYS A 115 32.074 37.528 42.807 1.00 34.89 C ATOM 1097 CD LYS A 115 31.541 38.465 41.710 1.00 34.05 C ATOM 1098 CE LYS A 115 32.672 38.957 40.822 1.00 33.73 C ATOM 1099 NZ LYS A 115 32.290 40.196 40.094 1.00 33.36 N ATOM 1100 HZ1 LYS A 115 31.460 40.004 39.497 1.00 0.00 H ATOM 1101 HZ2 LYS A 115 32.059 40.943 40.780 1.00 0.00 H ATOM 1102 HZ3 LYS A 115 33.084 40.505 39.497 1.00 0.00 H ATOM 1103 H LYS A 115 32.245 36.866 46.280 1.00 0.00 H ATOM 1104 N LEU A 116 29.466 37.163 46.542 1.00 30.26 N ATOM 1105 CA LEU A 116 28.375 37.158 47.516 1.00 29.15 C ATOM 1106 C LEU A 116 28.942 36.747 48.876 1.00 28.15 C ATOM 1107 O LEU A 116 28.948 35.567 49.191 1.00 27.06 O ATOM 1108 CB LEU A 116 27.259 36.178 47.105 1.00 28.33 C ATOM 1109 CG LEU A 116 26.269 36.459 45.988 1.00 28.81 C ATOM 1110 CD1 LEU A 116 25.268 35.305 45.998 1.00 28.52 C ATOM 1111 CD2 LEU A 116 25.557 37.798 46.166 1.00 27.97 C ATOM 1112 H LEU A 116 30.060 36.314 46.448 1.00 0.00 H ATOM 1113 N PRO A 117 29.423 37.723 49.668 1.00 29.88 N ATOM 1114 CA PRO A 117 30.024 37.458 51.009 1.00 31.06 C ATOM 1115 C PRO A 117 29.089 36.963 52.121 1.00 31.10 C ATOM 1116 O PRO A 117 29.547 36.268 53.023 1.00 34.79 O ATOM 1117 CB PRO A 117 30.656 38.798 51.415 1.00 30.77 C ATOM 1118 CG PRO A 117 30.247 39.802 50.392 1.00 32.51 C ATOM 1119 CD PRO A 117 29.538 39.135 49.247 1.00 30.41 C ATOM 1120 N GLY A 118 27.807 37.313 52.084 1.00 31.53 N ATOM 1121 CA GLY A 118 26.931 36.916 53.171 1.00 31.61 C ATOM 1122 C GLY A 118 25.486 37.302 53.003 1.00 33.43 C ATOM 1123 O GLY A 118 25.082 37.782 51.942 1.00 30.84 O ATOM 1124 H GLY A 118 27.436 37.865 51.285 1.00 0.00 H ATOM 1125 N VAL A 119 24.718 37.105 54.083 1.00 34.22 N ATOM 1126 CA VAL A 119 23.277 37.274 54.059 1.00 36.10 C ATOM 1127 C VAL A 119 22.949 38.670 53.556 1.00 37.65 C ATOM 1128 O VAL A 119 23.580 39.636 53.956 1.00 39.11 O ATOM 1129 CB VAL A 119 22.652 36.978 55.450 1.00 36.36 C ATOM 1130 CG1 VAL A 119 21.142 37.214 55.453 1.00 38.96 C ATOM 1131 CG2 VAL A 119 22.918 35.534 55.797 1.00 34.78 C ATOM 1132 H VAL A 119 25.173 36.820 54.974 1.00 0.00 H ATOM 1133 N ASN A 120 21.988 38.757 52.644 1.00 37.27 N ATOM 1134 CA ASN A 120 21.631 40.026 51.985 1.00 38.26 C ATOM 1135 C ASN A 120 22.636 40.630 50.985 1.00 35.30 C ATOM 1136 O ASN A 120 22.425 41.732 50.480 1.00 35.58 O ATOM 1137 CB ASN A 120 21.099 41.048 53.002 1.00 38.92 C ATOM 1138 CG ASN A 120 19.842 40.559 53.680 1.00 41.34 C ATOM 1139 OD1 ASN A 120 19.085 39.769 53.103 1.00 39.70 O ATOM 1140 ND2 ASN A 120 19.625 40.993 54.939 1.00 42.49 N ATOM 1141 HD22 ASN A 120 20.291 41.658 55.382 1.00 0.00 H ATOM 1142 HD21 ASN A 120 18.792 40.663 55.467 1.00 0.00 H ATOM 1143 H ASN A 120 21.466 37.895 52.384 1.00 0.00 H ATOM 1144 N SER A 121 23.687 39.881 50.659 1.00 34.07 N ATOM 1145 CA SER A 121 24.596 40.306 49.604 1.00 33.00 C ATOM 1146 C SER A 121 23.892 40.146 48.259 1.00 31.89 C ATOM 1147 O SER A 121 23.136 39.200 48.037 1.00 29.06 O ATOM 1148 CB SER A 121 25.914 39.514 49.627 1.00 32.36 C ATOM 1149 OG SER A 121 26.600 39.641 50.867 1.00 30.38 O ATOM 1150 HG SER A 121 26.025 39.301 51.597 1.00 0.00 H ATOM 1151 H SER A 121 23.860 38.987 51.161 1.00 0.00 H ATOM 1152 N GLU A 122 24.151 41.104 47.379 1.00 34.05 N ATOM 1153 CA GLU A 122 23.490 41.206 46.099 1.00 33.03 C ATOM 1154 C GLU A 122 24.505 41.166 45.002 1.00 33.57 C ATOM 1155 O GLU A 122 25.595 41.718 45.160 1.00 32.72 O ATOM 1156 CB GLU A 122 22.772 42.548 45.988 1.00 35.51 C ATOM 1157 CG GLU A 122 21.579 42.691 46.911 1.00 36.15 C ATOM 1158 CD GLU A 122 20.839 43.994 46.694 1.00 39.52 C ATOM 1159 OE1 GLU A 122 21.060 44.676 45.653 1.00 36.63 O ATOM 1160 OE2 GLU A 122 20.035 44.330 47.586 1.00 43.91 O ATOM 1161 H GLU A 122 24.867 41.818 47.623 1.00 0.00 H ATOM 1162 N LEU A 123 24.123 40.514 43.895 1.00 32.75 N ATOM 1163 CA LEU A 123 24.825 40.573 42.628 1.00 33.74 C ATOM 1164 C LEU A 123 23.825 41.065 41.587 1.00 34.73 C ATOM 1165 O LEU A 123 22.753 40.465 41.401 1.00 31.49 O ATOM 1166 CB LEU A 123 25.333 39.180 42.203 1.00 34.96 C ATOM 1167 CG LEU A 123 26.708 38.634 42.613 1.00 34.44 C ATOM 1168 CD1 LEU A 123 26.837 37.191 42.152 1.00 35.03 C ATOM 1169 CD2 LEU A 123 27.832 39.467 42.018 1.00 35.66 C ATOM 1170 H LEU A 123 23.266 39.927 43.949 1.00 0.00 H ATOM 1171 N THR A 124 24.163 42.163 40.923 1.00 36.58 N ATOM 1172 CA THR A 124 23.281 42.749 39.910 1.00 40.09 C ATOM 1173 C THR A 124 23.894 42.466 38.559 1.00 40.45 C ATOM 1174 O THR A 124 25.107 42.599 38.396 1.00 41.28 O ATOM 1175 CB THR A 124 23.174 44.274 40.055 1.00 41.91 C ATOM 1176 OG1 THR A 124 24.453 44.845 39.771 1.00 46.83 O ATOM 1177 CG2 THR A 124 22.782 44.668 41.468 1.00 46.25 C ATOM 1178 HG1 THR A 124 24.720 44.610 38.847 1.00 0.00 H ATOM 1179 H THR A 124 25.076 42.619 41.126 1.00 0.00 H ATOM 1180 N PHE A 125 23.054 42.047 37.615 1.00 38.51 N ATOM 1181 CA PHE A 125 23.442 41.864 36.223 1.00 39.72 C ATOM 1182 C PHE A 125 22.902 43.038 35.450 1.00 39.83 C ATOM 1183 O PHE A 125 21.723 43.392 35.549 1.00 42.17 O ATOM 1184 CB PHE A 125 22.883 40.544 35.684 1.00 40.47 C ATOM 1185 CG PHE A 125 23.212 39.371 36.563 1.00 37.93 C ATOM 1186 CD1 PHE A 125 22.414 39.068 37.674 1.00 38.65 C ATOM 1187 CD2 PHE A 125 24.355 38.602 36.323 1.00 38.06 C ATOM 1188 CE1 PHE A 125 22.737 38.016 38.510 1.00 35.64 C ATOM 1189 CE2 PHE A 125 24.681 37.538 37.165 1.00 35.88 C ATOM 1190 CZ PHE A 125 23.863 37.248 38.247 1.00 35.19 C ATOM 1191 H PHE A 125 22.071 41.840 37.885 1.00 0.00 H ATOM 1192 N ILE A 126 23.799 43.678 34.724 1.00 41.24 N ATOM 1193 CA ILE A 126 23.459 44.791 33.852 1.00 40.53 C ATOM 1194 C ILE A 126 23.814 44.412 32.400 1.00 39.80 C ATOM 1195 O ILE A 126 24.925 43.945 32.152 1.00 36.17 O ATOM 1196 CB ILE A 126 24.147 46.087 34.348 1.00 39.86 C ATOM 1197 CG1 ILE A 126 24.026 47.221 33.329 1.00 40.74 C ATOM 1198 CG2 ILE A 126 25.596 45.827 34.735 1.00 37.84 C ATOM 1199 CD1 ILE A 126 24.029 48.583 33.980 1.00 43.77 C ATOM 1200 H ILE A 126 24.792 43.373 34.778 1.00 0.00 H ATOM 1201 N PRO A 127 22.858 44.600 31.443 1.00 41.28 N ATOM 1202 CA PRO A 127 23.037 44.091 30.073 1.00 40.61 C ATOM 1203 C PRO A 127 24.314 44.617 29.400 1.00 40.76 C ATOM 1204 O PRO A 127 24.626 45.819 29.474 1.00 38.82 O ATOM 1205 CB PRO A 127 21.784 44.581 29.340 1.00 40.70 C ATOM 1206 CG PRO A 127 21.248 45.699 30.183 1.00 41.55 C ATOM 1207 CD PRO A 127 21.579 45.322 31.589 1.00 40.31 C ATOM 1208 N THR A 128 25.050 43.702 28.776 1.00 42.46 N ATOM 1209 CA THR A 128 26.296 44.035 28.090 1.00 43.36 C ATOM 1210 C THR A 128 25.970 44.879 26.878 1.00 45.55 C ATOM 1211 O THR A 128 24.901 44.709 26.272 1.00 46.13 O ATOM 1212 CB THR A 128 27.095 42.774 27.673 1.00 42.40 C ATOM 1213 OG1 THR A 128 28.405 43.150 27.239 1.00 39.86 O ATOM 1214 CG2 THR A 128 26.382 41.999 26.556 1.00 44.80 C ATOM 1215 HG1 THR A 128 28.909 42.340 26.974 1.00 0.00 H ATOM 1216 H THR A 128 24.727 42.713 28.776 1.00 0.00 H ATOM 1217 N GLY A 129 26.872 45.806 26.561 1.00 44.83 N ATOM 1218 CA GLY A 129 26.703 46.672 25.417 1.00 42.61 C ATOM 1219 C GLY A 129 25.768 47.829 25.669 1.00 42.43 C ATOM 1220 O GLY A 129 25.438 48.565 24.752 1.00 42.86 O ATOM 1221 H GLY A 129 27.721 45.909 27.153 1.00 0.00 H ATOM 1222 N THR A 130 25.331 48.022 26.907 1.00 41.88 N ATOM 1223 CA THR A 130 24.400 49.126 27.153 1.00 42.36 C ATOM 1224 C THR A 130 25.122 50.471 27.374 1.00 41.53 C ATOM 1225 O THR A 130 26.136 50.508 28.086 1.00 39.69 O ATOM 1226 CB THR A 130 23.409 48.833 28.294 1.00 42.61 C ATOM 1227 OG1 THR A 130 23.269 47.415 28.466 1.00 45.34 O ATOM 1228 CG2 THR A 130 22.071 49.404 27.931 1.00 42.99 C ATOM 1229 HG1 THR A 130 24.150 47.022 28.689 1.00 0.00 H ATOM 1230 H THR A 130 25.642 47.404 27.684 1.00 0.00 H ATOM 1231 N PRO A 131 24.608 51.570 26.747 1.00 41.29 N ATOM 1232 CA PRO A 131 25.207 52.896 26.881 1.00 41.44 C ATOM 1233 C PRO A 131 25.679 53.217 28.307 1.00 42.81 C ATOM 1234 O PRO A 131 24.964 52.976 29.279 1.00 42.95 O ATOM 1235 CB PRO A 131 24.077 53.823 26.457 1.00 42.71 C ATOM 1236 CG PRO A 131 23.389 53.049 25.391 1.00 43.03 C ATOM 1237 CD PRO A 131 23.536 51.585 25.728 1.00 42.42 C ATOM 1238 N VAL A 132 26.893 53.749 28.387 1.00 43.33 N ATOM 1239 CA VAL A 132 27.563 54.095 29.634 1.00 44.23 C ATOM 1240 C VAL A 132 28.171 55.503 29.458 1.00 47.06 C ATOM 1241 O VAL A 132 28.571 56.165 30.420 1.00 43.96 O ATOM 1242 CB VAL A 132 28.620 53.009 29.962 1.00 44.17 C ATOM 1243 CG1 VAL A 132 30.039 53.559 30.068 1.00 45.05 C ATOM 1244 CG2 VAL A 132 28.219 52.256 31.218 1.00 43.33 C ATOM 1245 H VAL A 132 27.401 53.931 27.498 1.00 0.00 H TER 1246 VAL A 132 HETATM 1247 O HOH 1 20.475 20.682 30.579 1.00 22.52 O HETATM 1248 O HOH 2 26.960 22.027 37.520 1.00 33.51 O HETATM 1249 O HOH 3 19.852 18.500 55.458 1.00 38.94 O HETATM 1250 O HOH 4 35.128 30.798 44.995 1.00 29.35 O HETATM 1251 O HOH 5 21.964 12.343 32.688 1.00 45.86 O HETATM 1252 O HOH 6 15.154 45.063 43.152 1.00 47.71 O HETATM 1253 O HOH 7 14.548 18.059 28.904 1.00 30.79 O HETATM 1254 O HOH 8 16.173 43.760 40.105 1.00 30.97 O HETATM 1255 O HOH 9 6.476 23.423 33.978 1.00 36.00 O HETATM 1256 O HOH 10 26.002 37.423 33.458 1.00 35.49 O HETATM 1257 O HOH 11 5.579 28.987 44.936 1.00 38.23 O HETATM 1258 O HOH 12 17.532 10.028 38.545 1.00 43.25 O HETATM 1259 O HOH 13 28.621 22.188 35.174 1.00 31.03 O HETATM 1260 O HOH 14 21.374 37.891 34.244 1.00 21.27 O HETATM 1261 O HOH 15 9.257 24.314 51.032 1.00 39.87 O HETATM 1262 O HOH 16 11.427 26.515 61.130 1.00 49.16 O HETATM 1263 O HOH 17 11.225 35.488 52.649 1.00 46.51 O HETATM 1264 O HOH 18 15.261 15.993 44.194 1.00 22.21 O HETATM 1265 O HOH 19 36.481 34.906 46.807 1.00 31.90 O HETATM 1266 O HOH 20 29.148 32.822 48.537 1.00 24.55 O HETATM 1267 O HOH 21 2.828 36.940 39.697 1.00 27.06 O HETATM 1268 O HOH 22 23.428 15.780 45.486 1.00 28.37 O HETATM 1269 O HOH 23 25.274 43.573 47.856 1.00 27.93 O HETATM 1270 O HOH 24 15.068 20.970 49.140 1.00 29.09 O HETATM 1271 O HOH 25 14.529 35.936 32.464 1.00 24.61 O HETATM 1272 O HOH 26 29.161 22.950 39.306 1.00 26.97 O HETATM 1273 O HOH 27 18.878 27.350 29.329 1.00 26.54 O HETATM 1274 O HOH 28 22.848 14.230 29.075 1.00 29.84 O HETATM 1275 O HOH 29 15.146 39.613 28.109 1.00 46.09 O HETATM 1276 O HOH 30 13.615 29.047 54.071 1.00 40.03 O HETATM 1277 O HOH 31 5.057 30.333 28.708 1.00 49.12 O HETATM 1278 O HOH 32 14.426 26.681 52.765 1.00 28.04 O HETATM 1279 O HOH 33 12.286 36.624 50.556 1.00 37.68 O HETATM 1280 O HOH 34 35.466 32.380 47.480 1.00 29.68 O HETATM 1281 O HOH 35 20.779 24.227 53.653 1.00 24.93 O HETATM 1282 O HOH 36 12.785 24.022 59.661 1.00 30.70 O HETATM 1283 O HOH 37 4.354 40.592 32.420 1.00 39.75 O HETATM 1284 O HOH 38 22.094 31.979 55.215 1.00 30.13 O HETATM 1285 O HOH 39 15.400 33.517 30.206 1.00 40.21 O HETATM 1286 O HOH 40 20.544 20.739 53.758 1.00 34.95 O HETATM 1287 O HOH 41 33.599 25.668 50.871 1.00 23.96 O HETATM 1288 O HOH 42 17.367 34.886 60.006 1.00 41.44 O HETATM 1289 O HOH 43 34.384 27.996 37.718 1.00 31.43 O HETATM 1290 O HOH 44 34.441 24.187 46.748 1.00 32.83 O HETATM 1291 O HOH 45 17.763 25.744 60.174 1.00 28.07 O HETATM 1292 O HOH 46 21.504 33.463 58.377 1.00 36.64 O HETATM 1293 O HOH 47 27.392 43.201 41.838 1.00 35.87 O HETATM 1294 O HOH 48 34.666 16.905 47.326 1.00 36.41 O HETATM 1295 O HOH 49 17.879 38.653 56.973 1.00 38.57 O HETATM 1296 O HOH 50 21.785 30.072 57.966 1.00 29.35 O HETATM 1297 O HOH 51 35.135 41.739 41.756 1.00 46.70 O HETATM 1298 O HOH 52 11.892 15.207 47.245 1.00 31.97 O HETATM 1299 O HOH 53 22.324 25.672 55.526 1.00 31.67 O HETATM 1300 O HOH 54 35.821 26.841 49.572 1.00 47.49 O HETATM 1301 O HOH 55 14.923 46.692 37.617 1.00 38.58 O HETATM 1302 O HOH 56 24.453 32.571 56.763 1.00 29.52 O HETATM 1303 O HOH 57 8.929 24.161 53.282 1.00 35.05 O HETATM 1304 O HOH 58 24.845 51.554 33.726 1.00 36.34 O HETATM 1305 O HOH 59 10.063 38.052 53.685 1.00 34.44 O HETATM 1306 P CMP A 60 31.100 19.097 47.138 1.00 0.26 P HETATM 1307 O1P CMP A 60 31.797 19.440 45.847 1.00 -0.62 O HETATM 1308 O2P CMP A 60 31.510 19.815 48.417 1.00 -0.62 O HETATM 1309 O5' CMP A 60 31.185 17.519 47.401 1.00 -0.25 O HETATM 1310 C5' CMP A 60 30.236 16.894 48.286 1.00 0.11 C HETATM 1311 C4' CMP A 60 28.849 17.250 47.774 1.00 0.12 C HETATM 1312 O4' CMP A 60 27.733 16.806 48.534 1.00 -0.34 O HETATM 1313 C1' CMP A 60 26.640 17.698 48.321 1.00 0.20 C HETATM 1314 C2' CMP A 60 27.140 18.842 47.467 1.00 0.14 C HETATM 1315 C3' CMP A 60 28.621 18.750 47.764 1.00 0.15 C HETATM 1316 O3' CMP A 60 29.540 19.378 46.874 1.00 -0.25 O HETATM 1317 H4 CMP A 60 28.803 19.171 48.764 1.00 0.07 H HETATM 1318 O2' CMP A 60 26.817 18.481 46.124 1.00 -0.38 O HETATM 1319 H6 CMP A 60 27.269 19.062 45.524 1.00 0.21 H HETATM 1320 H5 CMP A 60 26.716 19.822 47.733 1.00 0.07 H HETATM 1321 N9 CMP A 60 26.134 18.289 49.571 1.00 -0.19 N HETATM 1322 C8 CMP A 60 26.762 18.263 50.790 1.00 0.11 C HETATM 1323 N7 CMP A 60 26.029 18.910 51.702 1.00 -0.30 N HETATM 1324 C5 CMP A 60 24.917 19.392 51.058 1.00 0.10 C HETATM 1325 C6 CMP A 60 23.723 20.168 51.444 1.00 0.13 C HETATM 1326 N6 CMP A 60 23.530 20.620 52.742 1.00 -0.32 N HETATM 1327 H9 CMP A 60 22.685 21.160 52.979 1.00 0.18 H HETATM 1328 H10 CMP A 60 24.232 20.416 53.468 1.00 0.18 H HETATM 1329 N1 CMP A 60 22.822 20.413 50.468 1.00 -0.27 N HETATM 1330 C2 CMP A 60 22.961 20.000 49.197 1.00 0.05 C HETATM 1331 N3 CMP A 60 24.028 19.300 48.784 1.00 -0.27 N HETATM 1332 C4 CMP A 60 25.010 18.979 49.656 1.00 0.16 C HETATM 1333 H11 CMP A 60 22.184 20.241 48.481 1.00 0.10 H HETATM 1334 H8 CMP A 60 27.720 17.784 50.987 1.00 0.13 H HETATM 1335 H7 CMP A 60 25.826 17.162 47.811 1.00 0.10 H HETATM 1336 H3 CMP A 60 28.770 16.847 46.754 1.00 0.07 H HETATM 1337 H1 CMP A 60 30.369 17.272 49.310 1.00 0.06 H HETATM 1338 H2 CMP A 60 30.373 15.803 48.277 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1306 1307 1308 1309 1316 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1306 1310 CONECT 1310 1309 1311 1337 1338 CONECT 1311 1310 1312 1315 1336 CONECT 1312 1311 1313 CONECT 1313 1312 1314 1321 1335 CONECT 1314 1313 1315 1318 1320 CONECT 1315 1311 1314 1316 1317 CONECT 1316 1306 1315 CONECT 1317 1315 CONECT 1318 1314 1319 CONECT 1319 1318 CONECT 1320 1314 CONECT 1321 1313 1322 1332 CONECT 1322 1321 1323 1334 CONECT 1323 1322 1324 CONECT 1324 1323 1325 1332 CONECT 1325 1324 1326 1329 CONECT 1326 1325 1327 1328 CONECT 1327 1326 CONECT 1328 1326 CONECT 1329 1325 1330 CONECT 1330 1329 1331 1333 CONECT 1331 1330 1332 CONECT 1332 1321 1324 1331 CONECT 1333 1330 CONECT 1334 1322 CONECT 1335 1313 CONECT 1336 1311 CONECT 1337 1310 CONECT 1338 1310 MASTER 0 0 0 0 0 0 0 0 1337 1 37 11 END
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Structure:
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Related entries of code: 5btx
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Entry Information
PDB ID
5btx
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
N-terminal domain of lpg1496 from Legionella pneumophila
Ligand Name
CMP
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=280uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Biol.Chem. Vol. 290: pp. 24727-24737
Ligand Properties
Formula
C
1
0
H
1
3
N
5
O
6
P
Molecular Weight
330.214
Exact Mass
330.060
No. of atoms
35
No. of bonds
38
Polar Surface Area
171.59
LOGP Value
-2.64 (
Computed with XLOGP3
)
-0.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 4
Canonical SMILES
O[C@@H]1[C@@H]2OP(O)(O)OC[C@H]2O[C@H]1n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H14N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16-18,22H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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