Browse entries in the PDBbind-CN Database
HEADER 6I5P_COMPLEX COMPND 6I5P_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 137 LYS VAL VAL LYS PHE SER TYR MET TRP THR ILE ASN ASN SEQRES 2 A 137 PHE SER PHE CYS ARG GLU LYS MET GLY GLU VAL ILE LYS SEQRES 3 A 137 SER SER THR PHE SER SER GLY ALA ASN ASP LYS LEU LYS SEQRES 4 A 137 TRP CYS LEU ARG VAL ASN PRO LYS GLY LEU ASP GLU GLU SEQRES 5 A 137 SER LYS ASP TYR LEU SER LEU TYR LEU LEU LEU VAL SER SEQRES 6 A 137 CYS PRO LYS SER GLU VAL ARG ALA LYS PHE LYS PHE SER SEQRES 7 A 137 ILE LEU ASN ALA LYS GLY GLU GLU THR LYS ALA MET GLU SEQRES 8 A 137 SER GLN ARG ALA TYR ARG PHE VAL GLN GLY LYS ASP TRP SEQRES 9 A 137 GLY PHE LYS LYS PHE ILE ARG ARG ASP PHE LEU LEU ASP SEQRES 10 A 137 GLU ALA ASN GLY LEU LEU PRO ASP ASP LYS LEU THR LEU SEQRES 11 A 137 PHE CYS GLU VAL SER VAL VAL HET LYS A 270 94 ATOM 1 C LYS A 28 5.246 21.231 8.033 1.00 66.75 C ATOM 2 O LYS A 28 6.273 20.767 8.526 1.00 71.50 O ATOM 3 N VAL A 29 4.119 20.535 7.943 1.00 59.25 N ATOM 4 CA VAL A 29 4.041 19.113 8.256 1.00 48.94 C ATOM 5 C VAL A 29 3.819 18.347 6.957 1.00 46.87 C ATOM 6 O VAL A 29 2.883 18.644 6.202 1.00 44.24 O ATOM 7 CB VAL A 29 2.931 18.820 9.280 1.00 51.47 C ATOM 8 CG1 VAL A 29 2.741 17.319 9.443 1.00 50.99 C ATOM 9 CG2 VAL A 29 3.268 19.474 10.629 1.00 50.96 C ATOM 10 H VAL A 29 3.255 21.025 7.636 1.00 0.00 H ATOM 11 N VAL A 30 4.697 17.380 6.691 1.00 36.31 N ATOM 12 CA VAL A 30 4.645 16.528 5.508 1.00 32.06 C ATOM 13 C VAL A 30 4.163 15.157 5.972 1.00 34.66 C ATOM 14 O VAL A 30 4.896 14.450 6.679 1.00 34.43 O ATOM 15 CB VAL A 30 6.025 16.434 4.830 1.00 38.32 C ATOM 16 CG1 VAL A 30 6.040 15.392 3.701 1.00 38.84 C ATOM 17 CG2 VAL A 30 6.506 17.812 4.337 1.00 38.35 C ATOM 18 H VAL A 30 5.469 17.223 7.370 1.00 0.00 H ATOM 19 N LYS A 31 2.952 14.768 5.552 1.00 31.13 N ATOM 20 CA LYS A 31 2.283 13.548 5.997 1.00 28.08 C ATOM 21 C LYS A 31 2.331 12.496 4.887 1.00 26.56 C ATOM 22 O LYS A 31 2.044 12.804 3.719 1.00 25.97 O ATOM 23 CB LYS A 31 0.832 13.853 6.354 1.00 28.17 C ATOM 24 CG LYS A 31 -0.066 12.634 6.490 1.00 31.82 C ATOM 25 CD LYS A 31 0.386 11.670 7.587 1.00 37.86 C ATOM 26 CE LYS A 31 -0.703 11.206 8.526 1.00 46.15 C ATOM 27 NZ LYS A 31 -1.798 10.418 7.925 1.00 38.70 N ATOM 28 HZ1 LYS A 31 -2.273 10.987 7.196 1.00 0.00 H ATOM 29 HZ2 LYS A 31 -1.407 9.556 7.494 1.00 0.00 H ATOM 30 HZ3 LYS A 31 -2.482 10.158 8.664 1.00 0.00 H ATOM 31 H LYS A 31 2.457 15.373 4.866 1.00 0.00 H ATOM 32 N PHE A 32 2.681 11.263 5.235 1.00 22.33 N ATOM 33 CA PHE A 32 2.684 10.210 4.225 1.00 18.91 C ATOM 34 C PHE A 32 2.396 8.885 4.921 1.00 20.56 C ATOM 35 O PHE A 32 2.683 8.710 6.112 1.00 23.79 O ATOM 36 CB PHE A 32 4.024 10.166 3.429 1.00 19.30 C ATOM 37 CG PHE A 32 5.289 9.951 4.274 1.00 24.74 C ATOM 38 CD1 PHE A 32 5.799 10.971 5.052 1.00 25.72 C ATOM 39 CD2 PHE A 32 5.989 8.737 4.223 1.00 26.49 C ATOM 40 CE1 PHE A 32 6.977 10.786 5.791 1.00 34.01 C ATOM 41 CE2 PHE A 32 7.164 8.531 4.971 1.00 27.92 C ATOM 42 CZ PHE A 32 7.659 9.560 5.746 1.00 25.25 C ATOM 43 H PHE A 32 2.950 11.050 6.217 1.00 0.00 H ATOM 44 N SER A 33 1.805 7.955 4.186 1.00 21.73 N ATOM 45 CA SER A 33 1.364 6.705 4.782 1.00 19.39 C ATOM 46 C SER A 33 1.760 5.610 3.820 1.00 21.64 C ATOM 47 O SER A 33 1.808 5.842 2.608 1.00 21.30 O ATOM 48 CB SER A 33 -0.162 6.645 4.987 1.00 23.44 C ATOM 49 OG SER A 33 -0.632 7.690 5.800 1.00 31.00 O ATOM 50 HG SER A 33 -1.613 7.611 5.903 1.00 0.00 H ATOM 51 H SER A 33 1.655 8.121 3.170 1.00 0.00 H ATOM 52 N TYR A 34 1.995 4.414 4.360 1.00 20.12 N ATOM 53 CA TYR A 34 2.496 3.311 3.557 1.00 21.06 C ATOM 54 C TYR A 34 1.820 2.024 4.017 1.00 24.68 C ATOM 55 O TYR A 34 1.767 1.759 5.218 1.00 26.40 O ATOM 56 CB TYR A 34 4.012 3.184 3.721 1.00 20.29 C ATOM 57 CG TYR A 34 4.640 2.024 2.966 1.00 21.90 C ATOM 58 CD1 TYR A 34 4.264 1.723 1.641 1.00 23.75 C ATOM 59 CD2 TYR A 34 5.613 1.227 3.571 1.00 30.20 C ATOM 60 CE1 TYR A 34 4.856 0.668 0.946 1.00 25.29 C ATOM 61 CE2 TYR A 34 6.240 0.178 2.872 1.00 29.41 C ATOM 62 CZ TYR A 34 5.847 -0.109 1.569 1.00 29.72 C ATOM 63 OH TYR A 34 6.441 -1.182 0.907 1.00 27.44 O ATOM 64 HH TYR A 34 6.266 -2.016 1.410 1.00 0.00 H ATOM 65 H TYR A 34 1.817 4.268 5.374 1.00 0.00 H ATOM 66 N MET A 35 1.313 1.235 3.078 1.00 21.87 N ATOM 67 CA MET A 35 0.717 -0.057 3.397 1.00 22.43 C ATOM 68 C MET A 35 1.588 -1.139 2.774 1.00 24.69 C ATOM 69 O MET A 35 1.860 -1.097 1.574 1.00 26.86 O ATOM 70 CB MET A 35 -0.708 -0.170 2.867 1.00 23.53 C ATOM 71 CG MET A 35 -1.237 -1.557 3.252 1.00 25.65 C ATOM 72 SD MET A 35 -2.961 -1.821 2.923 1.00 40.81 S ATOM 73 CE MET A 35 -2.992 -1.528 1.277 1.00 25.25 C ATOM 74 H MET A 35 1.342 1.547 2.086 1.00 0.00 H ATOM 75 N TRP A 36 2.006 -2.101 3.583 1.00 24.44 N ATOM 76 CA TRP A 36 2.954 -3.123 3.171 1.00 23.46 C ATOM 77 C TRP A 36 2.456 -4.457 3.723 1.00 23.34 C ATOM 78 O TRP A 36 1.954 -4.509 4.847 1.00 29.50 O ATOM 79 CB TRP A 36 4.341 -2.760 3.759 1.00 26.28 C ATOM 80 CG TRP A 36 5.387 -3.833 3.790 1.00 31.61 C ATOM 81 CD1 TRP A 36 5.718 -4.683 2.787 1.00 40.84 C ATOM 82 CD2 TRP A 36 6.282 -4.118 4.867 1.00 27.69 C ATOM 83 NE1 TRP A 36 6.769 -5.482 3.165 1.00 42.00 N ATOM 84 CE2 TRP A 36 7.131 -5.157 4.443 1.00 34.77 C ATOM 85 CE3 TRP A 36 6.457 -3.583 6.151 1.00 33.74 C ATOM 86 CZ2 TRP A 36 8.116 -5.696 5.259 1.00 38.44 C ATOM 87 CZ3 TRP A 36 7.427 -4.114 6.952 1.00 32.89 C ATOM 88 CH2 TRP A 36 8.250 -5.158 6.507 1.00 39.39 C ATOM 89 HE1 TRP A 36 7.216 -6.214 2.576 1.00 0.00 H ATOM 90 H TRP A 36 1.640 -2.126 4.556 1.00 0.00 H ATOM 91 N THR A 37 2.605 -5.529 2.960 1.00 25.58 N ATOM 92 CA THR A 37 2.158 -6.852 3.390 1.00 27.79 C ATOM 93 C THR A 37 3.331 -7.823 3.418 1.00 28.85 C ATOM 94 O THR A 37 4.150 -7.858 2.484 1.00 27.98 O ATOM 95 CB THR A 37 1.062 -7.391 2.451 1.00 27.52 C ATOM 96 OG1 THR A 37 -0.061 -6.516 2.523 1.00 27.87 O ATOM 97 CG2 THR A 37 0.594 -8.800 2.877 1.00 28.64 C ATOM 98 HG1 THR A 37 0.212 -5.607 2.240 1.00 0.00 H ATOM 99 H THR A 37 3.053 -5.426 2.027 1.00 0.00 H ATOM 100 N ILE A 38 3.411 -8.615 4.485 1.00 31.07 N ATOM 101 CA ILE A 38 4.367 -9.717 4.568 1.00 27.57 C ATOM 102 C ILE A 38 3.609 -11.022 4.332 1.00 25.58 C ATOM 103 O ILE A 38 2.761 -11.407 5.143 1.00 29.82 O ATOM 104 CB ILE A 38 5.080 -9.755 5.929 1.00 34.21 C ATOM 105 CG1 ILE A 38 5.953 -8.502 6.102 1.00 35.65 C ATOM 106 CG2 ILE A 38 5.954 -10.994 6.015 1.00 40.65 C ATOM 107 CD1 ILE A 38 6.338 -8.244 7.531 1.00 36.61 C ATOM 108 H ILE A 38 2.771 -8.444 5.287 1.00 0.00 H ATOM 109 N ASN A 39 3.921 -11.692 3.232 1.00 28.84 N ATOM 110 CA ASN A 39 3.261 -12.944 2.883 1.00 37.45 C ATOM 111 C ASN A 39 3.791 -14.089 3.726 1.00 37.31 C ATOM 112 O ASN A 39 4.973 -14.123 4.088 1.00 34.64 O ATOM 113 CB ASN A 39 3.499 -13.303 1.422 1.00 41.56 C ATOM 114 CG ASN A 39 2.696 -12.450 0.472 1.00 44.39 C ATOM 115 OD1 ASN A 39 2.048 -11.497 0.879 1.00 40.97 O ATOM 116 ND2 ASN A 39 2.716 -12.812 -0.809 1.00 47.13 N ATOM 117 HD22 ASN A 39 3.283 -13.631 -1.109 1.00 0.00 H ATOM 118 HD21 ASN A 39 2.165 -12.276 -1.509 1.00 0.00 H ATOM 119 H ASN A 39 4.656 -11.314 2.601 1.00 0.00 H ATOM 120 N ASN A 40 2.926 -15.075 3.958 1.00 38.61 N ATOM 121 CA ASN A 40 3.355 -16.329 4.565 1.00 40.46 C ATOM 122 C ASN A 40 4.076 -16.056 5.878 1.00 32.50 C ATOM 123 O ASN A 40 5.168 -16.569 6.151 1.00 39.49 O ATOM 124 CB ASN A 40 4.232 -17.118 3.606 1.00 41.70 C ATOM 125 CG ASN A 40 3.511 -17.457 2.312 1.00 46.01 C ATOM 126 OD1 ASN A 40 2.372 -17.900 2.329 1.00 55.22 O ATOM 127 ND2 ASN A 40 4.165 -17.230 1.193 1.00 48.05 N ATOM 128 HD22 ASN A 40 5.133 -16.852 1.224 1.00 0.00 H ATOM 129 HD21 ASN A 40 3.713 -17.428 0.277 1.00 0.00 H ATOM 130 H ASN A 40 1.926 -14.948 3.701 1.00 0.00 H ATOM 131 N PHE A 41 3.474 -15.188 6.682 1.00 29.66 N ATOM 132 CA PHE A 41 4.185 -14.712 7.861 1.00 27.49 C ATOM 133 C PHE A 41 4.577 -15.870 8.773 1.00 35.13 C ATOM 134 O PHE A 41 5.681 -15.878 9.325 1.00 36.04 O ATOM 135 CB PHE A 41 3.353 -13.700 8.622 1.00 30.84 C ATOM 136 CG PHE A 41 4.001 -13.249 9.887 1.00 31.74 C ATOM 137 CD1 PHE A 41 4.994 -12.285 9.857 1.00 32.99 C ATOM 138 CD2 PHE A 41 3.651 -13.820 11.092 1.00 31.34 C ATOM 139 CE1 PHE A 41 5.626 -11.882 11.025 1.00 33.85 C ATOM 140 CE2 PHE A 41 4.284 -13.432 12.274 1.00 36.33 C ATOM 141 CZ PHE A 41 5.272 -12.451 12.227 1.00 33.52 C ATOM 142 H PHE A 41 2.511 -14.854 6.474 1.00 0.00 H ATOM 143 N SER A 42 3.686 -16.862 8.944 1.00 35.30 N ATOM 144 CA SER A 42 4.012 -17.975 9.841 1.00 36.74 C ATOM 145 C SER A 42 5.171 -18.818 9.330 1.00 38.06 C ATOM 146 O SER A 42 5.613 -19.752 10.017 1.00 42.26 O ATOM 147 CB SER A 42 2.783 -18.862 10.043 1.00 35.96 C ATOM 148 OG SER A 42 2.501 -19.559 8.844 1.00 38.21 O ATOM 149 HG SER A 42 2.323 -18.908 8.119 1.00 0.00 H ATOM 150 H SER A 42 2.774 -16.840 8.445 1.00 0.00 H ATOM 151 N PHE A 43 5.655 -18.542 8.138 1.00 36.93 N ATOM 152 CA PHE A 43 6.759 -19.285 7.559 1.00 39.06 C ATOM 153 C PHE A 43 8.080 -18.542 7.684 1.00 45.72 C ATOM 154 O PHE A 43 9.096 -19.041 7.198 1.00 47.03 O ATOM 155 CB PHE A 43 6.499 -19.583 6.069 1.00 47.98 C ATOM 156 CG PHE A 43 5.522 -20.716 5.806 1.00 43.50 C ATOM 157 CD1 PHE A 43 4.148 -20.506 5.899 1.00 44.27 C ATOM 158 CD2 PHE A 43 5.973 -21.981 5.468 1.00 48.29 C ATOM 159 CE1 PHE A 43 3.244 -21.547 5.646 1.00 45.59 C ATOM 160 CE2 PHE A 43 5.082 -23.016 5.215 1.00 49.32 C ATOM 161 CZ PHE A 43 3.715 -22.793 5.321 1.00 46.29 C ATOM 162 H PHE A 43 5.232 -17.765 7.592 1.00 0.00 H ATOM 163 N CYS A 44 8.091 -17.345 8.277 1.00 50.52 N ATOM 164 CA CYS A 44 9.303 -16.534 8.262 1.00 53.62 C ATOM 165 C CYS A 44 10.403 -17.186 9.101 1.00 51.22 C ATOM 166 O CYS A 44 10.175 -17.572 10.252 1.00 57.11 O ATOM 167 CB CYS A 44 8.996 -15.121 8.756 1.00 57.15 C ATOM 168 SG CYS A 44 8.045 -14.131 7.526 1.00 52.32 S ATOM 169 H CYS A 44 7.235 -16.991 8.750 1.00 0.00 H ATOM 170 N ARG A 45 11.594 -17.305 8.509 1.00 56.40 N ATOM 171 CA ARG A 45 12.731 -18.027 9.078 1.00 61.52 C ATOM 172 C ARG A 45 13.635 -17.160 9.945 1.00 65.45 C ATOM 173 O ARG A 45 14.576 -17.687 10.550 1.00 63.02 O ATOM 174 CB ARG A 45 13.569 -18.673 7.957 1.00 59.39 C ATOM 175 CG ARG A 45 14.806 -17.887 7.479 1.00 61.49 C ATOM 176 CD ARG A 45 15.070 -18.048 5.964 1.00 58.83 C ATOM 177 NE ARG A 45 15.985 -19.147 5.647 1.00 64.91 N ATOM 178 HE ARG A 45 16.386 -19.727 6.412 1.00 0.00 H ATOM 179 H ARG A 45 11.721 -16.854 7.581 1.00 0.00 H ATOM 180 N GLU A 46 13.374 -15.856 10.030 1.00 62.10 N ATOM 181 CA GLU A 46 14.267 -14.968 10.765 1.00 61.16 C ATOM 182 C GLU A 46 14.313 -15.341 12.243 1.00 62.91 C ATOM 183 O GLU A 46 13.275 -15.453 12.907 1.00 65.53 O ATOM 184 CB GLU A 46 13.825 -13.514 10.593 1.00 55.70 C ATOM 185 CG GLU A 46 14.236 -12.905 9.257 1.00 60.57 C ATOM 186 CD GLU A 46 13.431 -13.458 8.083 1.00 63.36 C ATOM 187 OE1 GLU A 46 13.860 -13.261 6.921 1.00 62.76 O ATOM 188 OE2 GLU A 46 12.372 -14.091 8.325 1.00 66.41 O ATOM 189 H GLU A 46 12.526 -15.468 9.568 1.00 0.00 H ATOM 190 N LYS A 47 15.531 -15.560 12.745 1.00 60.88 N ATOM 191 CA LYS A 47 15.769 -15.777 14.163 1.00 58.39 C ATOM 192 C LYS A 47 15.773 -14.430 14.888 1.00 60.81 C ATOM 193 O LYS A 47 15.654 -13.364 14.272 1.00 59.48 O ATOM 194 CB LYS A 47 17.082 -16.532 14.366 1.00 61.84 C ATOM 195 H LYS A 47 16.343 -15.576 12.095 1.00 0.00 H ATOM 196 N MET A 48 15.902 -14.480 16.215 1.00 61.61 N ATOM 197 CA MET A 48 15.986 -13.263 17.015 1.00 58.02 C ATOM 198 C MET A 48 17.032 -12.320 16.432 1.00 55.65 C ATOM 199 O MET A 48 18.105 -12.749 16.012 1.00 56.99 O ATOM 200 CB MET A 48 16.332 -13.616 18.469 1.00 59.32 C ATOM 201 CG MET A 48 16.210 -12.464 19.480 1.00 62.40 C ATOM 202 SD MET A 48 16.762 -12.912 21.161 1.00 70.21 S ATOM 203 CE MET A 48 18.547 -12.920 20.942 1.00 63.96 C ATOM 204 H MET A 48 15.943 -15.405 16.689 1.00 0.00 H ATOM 205 N GLY A 49 16.690 -11.029 16.356 1.00 58.25 N ATOM 206 CA GLY A 49 17.613 -10.017 15.859 1.00 52.34 C ATOM 207 C GLY A 49 17.764 -9.932 14.351 1.00 55.85 C ATOM 208 O GLY A 49 18.457 -9.022 13.863 1.00 61.68 O ATOM 209 H GLY A 49 15.739 -10.739 16.660 1.00 0.00 H ATOM 210 N GLU A 50 17.163 -10.847 13.598 1.00 50.23 N ATOM 211 CA GLU A 50 17.148 -10.791 12.147 1.00 46.76 C ATOM 212 C GLU A 50 15.926 -10.014 11.649 1.00 42.30 C ATOM 213 O GLU A 50 14.904 -9.926 12.330 1.00 45.35 O ATOM 214 CB GLU A 50 17.157 -12.201 11.582 1.00 48.90 C ATOM 215 CG GLU A 50 18.466 -12.919 11.917 1.00 58.55 C ATOM 216 CD GLU A 50 18.593 -14.253 11.239 1.00 60.28 C ATOM 217 OE1 GLU A 50 17.575 -14.966 11.143 1.00 62.05 O ATOM 218 OE2 GLU A 50 19.711 -14.585 10.801 1.00 63.21 O ATOM 219 H GLU A 50 16.681 -11.639 14.069 1.00 0.00 H ATOM 220 N VAL A 51 16.039 -9.473 10.433 1.00 50.45 N ATOM 221 CA VAL A 51 15.181 -8.385 9.966 1.00 49.52 C ATOM 222 C VAL A 51 14.503 -8.762 8.652 1.00 50.76 C ATOM 223 O VAL A 51 15.156 -9.276 7.739 1.00 47.31 O ATOM 224 CB VAL A 51 15.981 -7.084 9.769 1.00 54.99 C ATOM 225 CG1 VAL A 51 15.085 -6.012 9.177 1.00 49.56 C ATOM 226 CG2 VAL A 51 16.584 -6.617 11.082 1.00 61.06 C ATOM 227 H VAL A 51 16.769 -9.842 9.790 1.00 0.00 H ATOM 228 N ILE A 52 13.201 -8.483 8.555 1.00 45.00 N ATOM 229 CA ILE A 52 12.474 -8.423 7.286 1.00 39.86 C ATOM 230 C ILE A 52 12.341 -6.960 6.890 1.00 38.03 C ATOM 231 O ILE A 52 11.828 -6.151 7.674 1.00 35.99 O ATOM 232 CB ILE A 52 11.077 -9.050 7.421 1.00 45.54 C ATOM 233 CG1 ILE A 52 11.162 -10.547 7.753 1.00 48.07 C ATOM 234 CG2 ILE A 52 10.257 -8.797 6.152 1.00 49.75 C ATOM 235 CD1 ILE A 52 9.793 -11.115 8.113 1.00 45.82 C ATOM 236 H ILE A 52 12.673 -8.298 9.432 1.00 0.00 H ATOM 237 N LYS A 53 12.722 -6.621 5.666 1.00 34.45 N ATOM 238 CA LYS A 53 12.761 -5.225 5.249 1.00 37.00 C ATOM 239 C LYS A 53 11.668 -4.940 4.234 1.00 37.39 C ATOM 240 O LYS A 53 11.524 -5.681 3.261 1.00 38.06 O ATOM 241 CB LYS A 53 14.120 -4.885 4.643 1.00 37.29 C ATOM 242 CG LYS A 53 15.241 -4.946 5.647 1.00 43.76 C ATOM 243 CD LYS A 53 16.586 -4.989 4.949 1.00 46.72 C ATOM 244 CE LYS A 53 16.980 -6.420 4.644 1.00 53.12 C ATOM 245 H LYS A 53 12.998 -7.364 4.992 1.00 0.00 H ATOM 246 N SER A 54 10.963 -3.826 4.414 1.00 32.52 N ATOM 247 CA SER A 54 9.988 -3.390 3.418 1.00 30.11 C ATOM 248 C SER A 54 10.686 -2.825 2.191 1.00 31.66 C ATOM 249 O SER A 54 11.898 -2.612 2.170 1.00 28.07 O ATOM 250 CB SER A 54 9.062 -2.314 3.981 1.00 28.19 C ATOM 251 OG SER A 54 9.745 -1.070 4.024 1.00 24.13 O ATOM 252 HG SER A 54 10.025 -0.817 3.109 1.00 0.00 H ATOM 253 H SER A 54 11.108 -3.259 5.274 1.00 0.00 H ATOM 254 N SER A 55 9.891 -2.538 1.161 1.00 26.95 N ATOM 255 CA SER A 55 10.418 -1.707 0.089 1.00 34.06 C ATOM 256 C SER A 55 10.745 -0.313 0.625 1.00 32.91 C ATOM 257 O SER A 55 10.213 0.138 1.647 1.00 30.20 O ATOM 258 CB SER A 55 9.414 -1.587 -1.068 1.00 32.74 C ATOM 259 OG SER A 55 9.087 -2.849 -1.609 1.00 37.87 O ATOM 260 HG SER A 55 8.684 -3.415 -0.904 1.00 0.00 H ATOM 261 H SER A 55 8.917 -2.899 1.124 1.00 0.00 H ATOM 262 N THR A 56 11.629 0.370 -0.087 1.00 28.98 N ATOM 263 CA THR A 56 11.946 1.758 0.224 1.00 26.06 C ATOM 264 C THR A 56 10.809 2.633 -0.269 1.00 28.06 C ATOM 265 O THR A 56 10.335 2.465 -1.395 1.00 34.13 O ATOM 266 CB THR A 56 13.265 2.156 -0.449 1.00 30.37 C ATOM 267 OG1 THR A 56 14.304 1.337 0.100 1.00 37.53 O ATOM 268 CG2 THR A 56 13.574 3.622 -0.175 1.00 26.98 C ATOM 269 HG1 THR A 56 14.101 0.385 -0.079 1.00 0.00 H ATOM 270 H THR A 56 12.107 -0.094 -0.885 1.00 0.00 H ATOM 271 N PHE A 57 10.319 3.510 0.587 1.00 24.71 N ATOM 272 CA PHE A 57 9.228 4.396 0.209 1.00 27.29 C ATOM 273 C PHE A 57 9.660 5.824 0.468 1.00 28.87 C ATOM 274 O PHE A 57 10.790 6.087 0.874 1.00 30.91 O ATOM 275 CB PHE A 57 7.916 4.061 0.933 1.00 29.17 C ATOM 276 CG PHE A 57 8.012 4.008 2.441 1.00 27.98 C ATOM 277 CD1 PHE A 57 8.556 2.907 3.073 1.00 30.04 C ATOM 278 CD2 PHE A 57 7.433 5.012 3.215 1.00 23.22 C ATOM 279 CE1 PHE A 57 8.588 2.824 4.439 1.00 29.52 C ATOM 280 CE2 PHE A 57 7.459 4.949 4.605 1.00 26.34 C ATOM 281 CZ PHE A 57 8.045 3.856 5.222 1.00 27.09 C ATOM 282 H PHE A 57 10.718 3.569 1.545 1.00 0.00 H ATOM 283 N SER A 58 8.780 6.763 0.154 1.00 28.22 N ATOM 284 CA SER A 58 9.216 8.138 0.071 1.00 29.16 C ATOM 285 C SER A 58 8.182 9.045 0.682 1.00 30.66 C ATOM 286 O SER A 58 6.985 8.764 0.629 1.00 30.26 O ATOM 287 CB SER A 58 9.489 8.554 -1.379 1.00 33.80 C ATOM 288 OG SER A 58 9.702 9.948 -1.385 1.00 36.70 O ATOM 289 HG SER A 58 9.882 10.249 -2.311 1.00 0.00 H ATOM 290 H SER A 58 7.787 6.514 -0.031 1.00 0.00 H ATOM 291 N SER A 59 8.659 10.098 1.325 1.00 36.17 N ATOM 292 CA SER A 59 7.766 11.099 1.857 1.00 37.72 C ATOM 293 C SER A 59 7.421 12.149 0.830 1.00 40.14 C ATOM 294 O SER A 59 6.805 13.153 1.191 1.00 39.16 O ATOM 295 CB SER A 59 8.363 11.758 3.102 1.00 35.59 C ATOM 296 OG SER A 59 9.767 11.865 3.041 1.00 32.73 O ATOM 297 HG SER A 59 10.021 12.412 2.256 1.00 0.00 H ATOM 298 H SER A 59 9.686 10.205 1.448 1.00 0.00 H ATOM 299 N GLY A 60 7.833 11.949 -0.427 1.00 42.79 N ATOM 300 CA GLY A 60 7.443 12.839 -1.509 1.00 46.51 C ATOM 301 C GLY A 60 7.798 14.280 -1.189 1.00 44.82 C ATOM 302 O GLY A 60 8.829 14.570 -0.577 1.00 44.18 O ATOM 303 H GLY A 60 8.448 11.137 -0.636 1.00 0.00 H ATOM 304 N ALA A 61 6.922 15.186 -1.590 1.00 42.68 N ATOM 305 CA ALA A 61 7.055 16.612 -1.274 1.00 44.28 C ATOM 306 C ALA A 61 8.407 17.116 -1.794 1.00 46.97 C ATOM 307 O ALA A 61 8.916 16.650 -2.823 1.00 50.60 O ATOM 308 CB ALA A 61 6.838 16.832 0.219 1.00 40.76 C ATOM 309 H ALA A 61 6.105 14.874 -2.153 1.00 0.00 H ATOM 310 N ASN A 62 8.974 18.058 -1.053 1.00 43.38 N ATOM 311 CA ASN A 62 10.189 18.786 -1.384 1.00 51.69 C ATOM 312 C ASN A 62 11.410 17.885 -1.500 1.00 44.55 C ATOM 313 O ASN A 62 11.967 17.722 -2.588 1.00 43.25 O ATOM 314 CB ASN A 62 10.419 19.841 -0.296 1.00 59.04 C ATOM 315 CG ASN A 62 9.959 19.354 1.095 1.00 61.17 C ATOM 316 OD1 ASN A 62 10.308 18.253 1.528 1.00 64.27 O ATOM 317 ND2 ASN A 62 9.155 20.167 1.777 1.00 64.03 N ATOM 318 HD22 ASN A 62 8.885 21.088 1.376 1.00 0.00 H ATOM 319 HD21 ASN A 62 8.797 19.881 2.711 1.00 0.00 H ATOM 320 H ASN A 62 8.508 18.298 -0.155 1.00 0.00 H ATOM 321 N ASP A 63 11.816 17.289 -0.371 1.00 48.42 N ATOM 322 CA ASP A 63 13.120 16.643 -0.230 1.00 50.52 C ATOM 323 C ASP A 63 13.170 15.228 -0.784 1.00 44.63 C ATOM 324 O ASP A 63 14.265 14.723 -1.044 1.00 45.02 O ATOM 325 CB ASP A 63 13.522 16.603 1.245 1.00 54.62 C ATOM 326 CG ASP A 63 13.765 17.986 1.823 1.00 65.61 C ATOM 327 OD1 ASP A 63 13.849 18.957 1.035 1.00 65.78 O ATOM 328 OD2 ASP A 63 13.874 18.097 3.067 1.00 72.56 O ATOM 329 H ASP A 63 11.172 17.286 0.445 1.00 0.00 H ATOM 330 N LYS A 64 12.023 14.576 -0.968 1.00 46.40 N ATOM 331 CA LYS A 64 11.979 13.176 -1.372 1.00 44.25 C ATOM 332 C LYS A 64 12.831 12.305 -0.442 1.00 33.76 C ATOM 333 O LYS A 64 13.608 11.457 -0.890 1.00 35.68 O ATOM 334 CB LYS A 64 12.421 13.003 -2.829 1.00 46.98 C ATOM 335 CG LYS A 64 11.925 14.071 -3.800 1.00 53.78 C ATOM 336 CD LYS A 64 10.432 13.966 -4.022 1.00 52.63 C ATOM 337 CE LYS A 64 9.996 14.683 -5.287 1.00 53.45 C ATOM 338 NZ LYS A 64 8.516 14.837 -5.303 1.00 55.45 N ATOM 339 HZ1 LYS A 64 8.071 13.898 -5.271 1.00 0.00 H ATOM 340 HZ2 LYS A 64 8.217 15.392 -4.475 1.00 0.00 H ATOM 341 HZ3 LYS A 64 8.229 15.329 -6.173 1.00 0.00 H ATOM 342 H LYS A 64 11.128 15.083 -0.818 1.00 0.00 H ATOM 343 N LEU A 65 12.699 12.525 0.872 1.00 30.08 N ATOM 344 CA LEU A 65 13.385 11.636 1.809 1.00 34.24 C ATOM 345 C LEU A 65 12.928 10.195 1.581 1.00 35.50 C ATOM 346 O LEU A 65 11.765 9.954 1.250 1.00 39.00 O ATOM 347 CB LEU A 65 13.102 12.053 3.252 1.00 33.34 C ATOM 348 CG LEU A 65 13.574 13.439 3.686 1.00 34.74 C ATOM 349 CD1 LEU A 65 12.897 13.762 5.020 1.00 37.32 C ATOM 350 CD2 LEU A 65 15.113 13.479 3.770 1.00 39.48 C ATOM 351 H LEU A 65 12.119 13.315 1.220 1.00 0.00 H ATOM 352 N LYS A 66 13.854 9.237 1.729 1.00 32.05 N ATOM 353 CA LYS A 66 13.564 7.819 1.555 1.00 29.31 C ATOM 354 C LYS A 66 13.566 7.098 2.905 1.00 29.04 C ATOM 355 O LYS A 66 14.388 7.394 3.796 1.00 27.28 O ATOM 356 CB LYS A 66 14.577 7.159 0.603 1.00 29.85 C ATOM 357 CG LYS A 66 14.765 7.871 -0.771 1.00 29.91 C ATOM 358 CD LYS A 66 13.420 8.043 -1.504 1.00 34.76 C ATOM 359 CE LYS A 66 13.622 8.563 -2.955 1.00 42.61 C ATOM 360 NZ LYS A 66 14.469 9.803 -3.025 1.00 45.03 N ATOM 361 HZ1 LYS A 66 14.016 10.562 -2.478 1.00 0.00 H ATOM 362 HZ2 LYS A 66 15.409 9.602 -2.628 1.00 0.00 H ATOM 363 HZ3 LYS A 66 14.566 10.099 -4.017 1.00 0.00 H ATOM 364 H LYS A 66 14.823 9.518 1.979 1.00 0.00 H ATOM 365 N TRP A 67 12.669 6.118 3.041 1.00 27.45 N ATOM 366 CA TRP A 67 12.463 5.436 4.310 1.00 23.25 C ATOM 367 C TRP A 67 12.300 3.945 4.070 1.00 26.18 C ATOM 368 O TRP A 67 11.989 3.512 2.962 1.00 25.80 O ATOM 369 CB TRP A 67 11.188 5.959 5.028 1.00 22.05 C ATOM 370 CG TRP A 67 11.133 7.456 5.220 1.00 21.50 C ATOM 371 CD1 TRP A 67 10.804 8.401 4.277 1.00 22.95 C ATOM 372 CD2 TRP A 67 11.458 8.171 6.408 1.00 21.92 C ATOM 373 NE1 TRP A 67 10.893 9.661 4.829 1.00 22.88 N ATOM 374 CE2 TRP A 67 11.254 9.540 6.142 1.00 23.58 C ATOM 375 CE3 TRP A 67 11.850 7.779 7.704 1.00 23.63 C ATOM 376 CZ2 TRP A 67 11.477 10.538 7.111 1.00 23.56 C ATOM 377 CZ3 TRP A 67 12.053 8.766 8.671 1.00 27.38 C ATOM 378 CH2 TRP A 67 11.872 10.119 8.369 1.00 22.05 C ATOM 379 HE1 TRP A 67 10.715 10.556 4.329 1.00 0.00 H ATOM 380 H TRP A 67 12.102 5.834 2.217 1.00 0.00 H ATOM 381 N CYS A 68 12.440 3.155 5.139 1.00 27.78 N ATOM 382 CA CYS A 68 11.968 1.780 5.078 1.00 28.06 C ATOM 383 C CYS A 68 11.475 1.341 6.447 1.00 30.19 C ATOM 384 O CYS A 68 11.739 1.982 7.476 1.00 30.32 O ATOM 385 CB CYS A 68 13.036 0.811 4.582 1.00 33.00 C ATOM 386 SG CYS A 68 14.340 0.618 5.761 1.00 41.86 S ATOM 387 H CYS A 68 12.882 3.520 6.007 1.00 0.00 H ATOM 388 N LEU A 69 10.709 0.261 6.444 1.00 25.46 N ATOM 389 CA LEU A 69 10.244 -0.338 7.687 1.00 25.26 C ATOM 390 C LEU A 69 10.982 -1.653 7.851 1.00 29.13 C ATOM 391 O LEU A 69 11.259 -2.341 6.861 1.00 29.82 O ATOM 392 CB LEU A 69 8.733 -0.581 7.683 1.00 24.71 C ATOM 393 CG LEU A 69 7.927 0.680 7.480 1.00 31.21 C ATOM 394 CD1 LEU A 69 6.520 0.193 7.192 1.00 34.04 C ATOM 395 CD2 LEU A 69 7.984 1.498 8.778 1.00 32.32 C ATOM 396 H LEU A 69 10.434 -0.167 5.537 1.00 0.00 H ATOM 397 N ARG A 70 11.337 -1.968 9.098 1.00 29.94 N ATOM 398 CA ARG A 70 12.051 -3.194 9.415 1.00 30.78 C ATOM 399 C ARG A 70 11.296 -3.965 10.480 1.00 28.35 C ATOM 400 O ARG A 70 10.887 -3.390 11.497 1.00 25.06 O ATOM 401 CB ARG A 70 13.466 -2.875 9.883 1.00 39.29 C ATOM 402 CG ARG A 70 14.245 -2.088 8.853 1.00 42.81 C ATOM 403 CD ARG A 70 15.659 -2.528 8.792 1.00 55.33 C ATOM 404 NE ARG A 70 16.449 -1.916 9.843 1.00 57.21 N ATOM 405 CZ ARG A 70 17.744 -2.144 10.005 1.00 66.37 C ATOM 406 NH1 ARG A 70 18.372 -2.968 9.174 1.00 65.46 N ATOM 407 NH2 ARG A 70 18.409 -1.552 10.989 1.00 72.54 N ATOM 408 HE ARG A 70 15.975 -1.266 10.502 1.00 0.00 H ATOM 409 HH12 ARG A 70 19.388 -3.153 9.294 1.00 0.00 H ATOM 410 HH11 ARG A 70 17.847 -3.429 8.403 1.00 0.00 H ATOM 411 HH22 ARG A 70 19.426 -1.734 11.113 1.00 0.00 H ATOM 412 HH21 ARG A 70 17.914 -0.906 11.637 1.00 0.00 H ATOM 413 H ARG A 70 11.095 -1.314 9.870 1.00 0.00 H ATOM 414 N VAL A 71 11.131 -5.265 10.264 1.00 29.01 N ATOM 415 CA VAL A 71 10.367 -6.102 11.178 1.00 34.71 C ATOM 416 C VAL A 71 11.295 -7.185 11.728 1.00 37.72 C ATOM 417 O VAL A 71 11.995 -7.849 10.960 1.00 36.72 O ATOM 418 CB VAL A 71 9.138 -6.726 10.487 1.00 36.40 C ATOM 419 CG1 VAL A 71 8.536 -7.791 11.379 1.00 38.15 C ATOM 420 CG2 VAL A 71 8.029 -5.673 10.201 1.00 33.59 C ATOM 421 H VAL A 71 11.559 -5.696 9.420 1.00 0.00 H ATOM 422 N ASN A 72 11.309 -7.356 13.062 1.00 34.61 N ATOM 423 CA ASN A 72 11.989 -8.513 13.633 1.00 38.45 C ATOM 424 C ASN A 72 10.909 -9.491 14.013 1.00 32.84 C ATOM 425 O ASN A 72 10.224 -9.285 15.021 1.00 32.64 O ATOM 426 CB ASN A 72 12.828 -8.147 14.858 1.00 38.91 C ATOM 427 CG ASN A 72 13.850 -7.084 14.562 1.00 41.76 C ATOM 428 OD1 ASN A 72 13.753 -5.962 15.055 1.00 44.93 O ATOM 429 ND2 ASN A 72 14.824 -7.418 13.746 1.00 47.73 N ATOM 430 HD22 ASN A 72 14.866 -8.380 13.353 1.00 0.00 H ATOM 431 HD21 ASN A 72 15.553 -6.721 13.494 1.00 0.00 H ATOM 432 H ASN A 72 10.838 -6.667 13.683 1.00 0.00 H ATOM 433 N PRO A 73 10.675 -10.541 13.232 1.00 33.53 N ATOM 434 CA PRO A 73 9.513 -11.397 13.516 1.00 35.80 C ATOM 435 C PRO A 73 9.586 -12.055 14.883 1.00 37.87 C ATOM 436 O PRO A 73 8.541 -12.353 15.484 1.00 40.35 O ATOM 437 CB PRO A 73 9.555 -12.444 12.394 1.00 38.94 C ATOM 438 CG PRO A 73 10.558 -11.976 11.423 1.00 48.49 C ATOM 439 CD PRO A 73 11.471 -11.015 12.091 1.00 46.00 C ATOM 440 N LYS A 74 10.787 -12.249 15.404 1.00 36.71 N ATOM 441 CA LYS A 74 11.024 -12.926 16.672 1.00 46.53 C ATOM 442 C LYS A 74 11.808 -12.033 17.622 1.00 55.16 C ATOM 443 O LYS A 74 12.688 -12.485 18.364 1.00 57.35 O ATOM 444 CB LYS A 74 11.755 -14.247 16.453 1.00 47.45 C ATOM 445 H LYS A 74 11.611 -11.897 14.876 1.00 0.00 H ATOM 446 N GLY A 75 11.499 -10.747 17.601 1.00 48.84 N ATOM 447 CA GLY A 75 12.047 -9.826 18.564 1.00 43.54 C ATOM 448 C GLY A 75 13.480 -9.453 18.257 1.00 49.44 C ATOM 449 O GLY A 75 14.152 -10.034 17.412 1.00 48.84 O ATOM 450 H GLY A 75 10.846 -10.393 16.873 1.00 0.00 H ATOM 451 N LEU A 76 13.948 -8.442 18.974 1.00 58.15 N ATOM 452 CA LEU A 76 15.267 -7.874 18.748 1.00 59.79 C ATOM 453 C LEU A 76 16.313 -8.426 19.701 1.00 60.47 C ATOM 454 O LEU A 76 17.475 -8.571 19.312 1.00 66.67 O ATOM 455 CB LEU A 76 15.189 -6.349 18.878 1.00 58.62 C ATOM 456 CG LEU A 76 16.386 -5.473 18.546 1.00 64.49 C ATOM 457 CD1 LEU A 76 16.532 -5.317 17.041 1.00 64.28 C ATOM 458 CD2 LEU A 76 16.188 -4.128 19.221 1.00 65.12 C ATOM 459 H LEU A 76 13.351 -8.041 19.725 1.00 0.00 H ATOM 460 N ASP A 77 15.910 -8.762 20.926 1.00 62.87 N ATOM 461 CA ASP A 77 16.808 -9.281 21.945 1.00 60.58 C ATOM 462 C ASP A 77 16.005 -10.169 22.886 1.00 57.40 C ATOM 463 O ASP A 77 14.794 -10.343 22.726 1.00 62.83 O ATOM 464 CB ASP A 77 17.497 -8.144 22.710 1.00 63.25 C ATOM 465 CG ASP A 77 16.521 -7.070 23.183 1.00 62.65 C ATOM 466 OD1 ASP A 77 15.469 -7.411 23.760 1.00 64.88 O ATOM 467 OD2 ASP A 77 16.815 -5.873 22.991 1.00 67.45 O ATOM 468 H ASP A 77 14.904 -8.647 21.165 1.00 0.00 H ATOM 469 N GLU A 78 16.690 -10.721 23.891 1.00 61.83 N ATOM 470 CA GLU A 78 16.023 -11.612 24.833 1.00 55.12 C ATOM 471 C GLU A 78 14.912 -10.900 25.585 1.00 56.74 C ATOM 472 O GLU A 78 13.932 -11.538 25.987 1.00 63.30 O ATOM 473 CB GLU A 78 17.034 -12.208 25.818 1.00 63.12 C ATOM 474 H GLU A 78 17.703 -10.514 24.002 1.00 0.00 H ATOM 475 N GLU A 79 15.032 -9.582 25.772 1.00 59.83 N ATOM 476 CA GLU A 79 13.948 -8.829 26.395 1.00 54.93 C ATOM 477 C GLU A 79 12.689 -8.837 25.540 1.00 55.65 C ATOM 478 O GLU A 79 11.582 -8.744 26.080 1.00 55.91 O ATOM 479 CB GLU A 79 14.377 -7.384 26.666 1.00 57.70 C ATOM 480 H GLU A 79 15.899 -9.092 25.473 1.00 0.00 H ATOM 481 N SER A 80 12.827 -8.946 24.212 1.00 55.08 N ATOM 482 CA SER A 80 11.684 -8.861 23.300 1.00 52.98 C ATOM 483 C SER A 80 11.436 -10.167 22.546 1.00 52.18 C ATOM 484 O SER A 80 10.706 -10.173 21.546 1.00 46.39 O ATOM 485 CB SER A 80 11.874 -7.704 22.309 1.00 47.71 C ATOM 486 OG SER A 80 13.139 -7.779 21.654 1.00 53.02 O ATOM 487 HG SER A 80 13.862 -7.736 22.329 1.00 0.00 H ATOM 488 H SER A 80 13.777 -9.096 23.816 1.00 0.00 H ATOM 489 N LYS A 81 12.008 -11.278 23.032 1.00 52.26 N ATOM 490 CA LYS A 81 11.969 -12.552 22.314 1.00 52.40 C ATOM 491 C LYS A 81 10.545 -13.045 22.044 1.00 47.76 C ATOM 492 O LYS A 81 10.324 -13.797 21.092 1.00 56.83 O ATOM 493 CB LYS A 81 12.744 -13.610 23.114 1.00 51.13 C ATOM 494 H LYS A 81 12.495 -11.233 23.950 1.00 0.00 H ATOM 495 N ASP A 82 9.575 -12.646 22.856 1.00 39.92 N ATOM 496 CA ASP A 82 8.189 -13.059 22.667 1.00 43.90 C ATOM 497 C ASP A 82 7.386 -12.105 21.774 1.00 41.64 C ATOM 498 O ASP A 82 6.167 -12.287 21.627 1.00 38.75 O ATOM 499 CB ASP A 82 7.485 -13.191 24.021 1.00 47.74 C ATOM 500 CG ASP A 82 8.090 -14.282 24.893 1.00 55.75 C ATOM 501 OD1 ASP A 82 8.460 -15.350 24.357 1.00 57.37 O ATOM 502 OD2 ASP A 82 8.193 -14.060 26.117 1.00 59.79 O ATOM 503 H ASP A 82 9.810 -12.019 23.652 1.00 0.00 H ATOM 504 N TYR A 83 8.032 -11.106 21.182 1.00 44.86 N ATOM 505 CA TYR A 83 7.327 -10.031 20.497 1.00 37.32 C ATOM 506 C TYR A 83 7.798 -9.917 19.055 1.00 35.90 C ATOM 507 O TYR A 83 8.909 -10.313 18.700 1.00 37.54 O ATOM 508 CB TYR A 83 7.532 -8.689 21.208 1.00 37.83 C ATOM 509 CG TYR A 83 6.727 -8.558 22.481 1.00 42.91 C ATOM 510 CD1 TYR A 83 7.159 -9.169 23.668 1.00 44.98 C ATOM 511 CD2 TYR A 83 5.535 -7.845 22.507 1.00 43.98 C ATOM 512 CE1 TYR A 83 6.422 -9.056 24.844 1.00 41.94 C ATOM 513 CE2 TYR A 83 4.790 -7.725 23.689 1.00 46.07 C ATOM 514 CZ TYR A 83 5.242 -8.332 24.847 1.00 48.07 C ATOM 515 OH TYR A 83 4.510 -8.220 26.012 1.00 57.04 O ATOM 516 HH TYR A 83 4.971 -8.709 26.739 1.00 0.00 H ATOM 517 H TYR A 83 9.072 -11.091 21.209 1.00 0.00 H ATOM 518 N LEU A 84 6.934 -9.349 18.220 1.00 34.94 N ATOM 519 CA LEU A 84 7.392 -8.799 16.948 1.00 39.00 C ATOM 520 C LEU A 84 7.788 -7.342 17.191 1.00 32.93 C ATOM 521 O LEU A 84 7.081 -6.614 17.898 1.00 29.80 O ATOM 522 CB LEU A 84 6.293 -8.917 15.876 1.00 33.64 C ATOM 523 CG LEU A 84 6.478 -8.320 14.482 1.00 37.79 C ATOM 524 CD1 LEU A 84 5.655 -9.130 13.499 1.00 39.99 C ATOM 525 CD2 LEU A 84 6.007 -6.869 14.452 1.00 34.10 C ATOM 526 H LEU A 84 5.927 -9.296 18.474 1.00 0.00 H ATOM 527 N SER A 85 8.946 -6.953 16.666 1.00 29.69 N ATOM 528 CA SER A 85 9.476 -5.599 16.723 1.00 36.20 C ATOM 529 C SER A 85 9.275 -4.932 15.369 1.00 34.20 C ATOM 530 O SER A 85 9.372 -5.582 14.325 1.00 31.34 O ATOM 531 CB SER A 85 10.978 -5.593 17.080 1.00 32.88 C ATOM 532 OG SER A 85 11.226 -6.402 18.221 1.00 33.71 O ATOM 533 HG SER A 85 10.712 -6.051 18.991 1.00 0.00 H ATOM 534 H SER A 85 9.517 -7.672 16.177 1.00 0.00 H ATOM 535 N LEU A 86 9.010 -3.627 15.394 1.00 30.15 N ATOM 536 CA LEU A 86 8.753 -2.866 14.171 1.00 26.33 C ATOM 537 C LEU A 86 9.405 -1.490 14.313 1.00 25.64 C ATOM 538 O LEU A 86 9.150 -0.807 15.315 1.00 24.78 O ATOM 539 CB LEU A 86 7.246 -2.751 13.951 1.00 28.36 C ATOM 540 CG LEU A 86 6.722 -1.939 12.759 1.00 28.99 C ATOM 541 CD1 LEU A 86 7.314 -2.379 11.446 1.00 34.13 C ATOM 542 CD2 LEU A 86 5.202 -2.093 12.742 1.00 26.91 C ATOM 543 H LEU A 86 8.985 -3.134 16.310 1.00 0.00 H ATOM 544 N TYR A 87 10.260 -1.114 13.340 1.00 26.00 N ATOM 545 CA TYR A 87 11.016 0.142 13.317 1.00 29.66 C ATOM 546 C TYR A 87 10.869 0.873 11.993 1.00 26.11 C ATOM 547 O TYR A 87 10.858 0.259 10.919 1.00 25.06 O ATOM 548 CB TYR A 87 12.527 -0.059 13.555 1.00 30.69 C ATOM 549 CG TYR A 87 12.781 -0.594 14.926 1.00 29.60 C ATOM 550 CD1 TYR A 87 12.808 -1.966 15.155 1.00 28.33 C ATOM 551 CD2 TYR A 87 12.911 0.269 16.014 1.00 37.61 C ATOM 552 CE1 TYR A 87 12.960 -2.469 16.446 1.00 35.15 C ATOM 553 CE2 TYR A 87 13.076 -0.224 17.306 1.00 41.68 C ATOM 554 CZ TYR A 87 13.110 -1.597 17.513 1.00 42.66 C ATOM 555 OH TYR A 87 13.294 -2.097 18.793 1.00 43.98 O ATOM 556 HH TYR A 87 14.161 -1.777 19.149 1.00 0.00 H ATOM 557 H TYR A 87 10.394 -1.767 12.542 1.00 0.00 H ATOM 558 N LEU A 88 10.844 2.195 12.087 1.00 24.99 N ATOM 559 CA LEU A 88 10.944 3.084 10.939 1.00 27.31 C ATOM 560 C LEU A 88 12.388 3.550 10.834 1.00 30.35 C ATOM 561 O LEU A 88 12.991 3.931 11.840 1.00 26.31 O ATOM 562 CB LEU A 88 10.009 4.287 11.108 1.00 21.29 C ATOM 563 CG LEU A 88 10.123 5.438 10.090 1.00 21.28 C ATOM 564 CD1 LEU A 88 9.726 4.923 8.727 1.00 19.31 C ATOM 565 CD2 LEU A 88 9.216 6.621 10.530 1.00 23.74 C ATOM 566 H LEU A 88 10.748 2.620 13.031 1.00 0.00 H ATOM 567 N LEU A 89 12.942 3.512 9.635 1.00 24.20 N ATOM 568 CA LEU A 89 14.324 3.909 9.404 1.00 30.33 C ATOM 569 C LEU A 89 14.422 4.951 8.298 1.00 31.06 C ATOM 570 O LEU A 89 13.804 4.812 7.244 1.00 27.99 O ATOM 571 CB LEU A 89 15.169 2.698 9.016 1.00 30.52 C ATOM 572 CG LEU A 89 16.688 2.885 8.916 1.00 41.60 C ATOM 573 CD1 LEU A 89 17.360 1.681 9.549 1.00 45.27 C ATOM 574 CD2 LEU A 89 17.110 3.056 7.455 1.00 42.36 C ATOM 575 H LEU A 89 12.371 3.187 8.828 1.00 0.00 H ATOM 576 N LEU A 90 15.244 5.974 8.507 1.00 25.62 N ATOM 577 CA LEU A 90 15.503 6.954 7.452 1.00 23.63 C ATOM 578 C LEU A 90 16.667 6.464 6.597 1.00 29.01 C ATOM 579 O LEU A 90 17.776 6.289 7.104 1.00 32.50 O ATOM 580 CB LEU A 90 15.816 8.320 8.060 1.00 29.74 C ATOM 581 CG LEU A 90 16.362 9.347 7.076 1.00 30.49 C ATOM 582 CD1 LEU A 90 15.286 9.718 6.060 1.00 26.60 C ATOM 583 CD2 LEU A 90 16.880 10.607 7.797 1.00 29.32 C ATOM 584 H LEU A 90 15.709 6.079 9.431 1.00 0.00 H ATOM 585 N VAL A 91 16.417 6.238 5.311 1.00 27.81 N ATOM 586 CA VAL A 91 17.397 5.623 4.421 1.00 30.46 C ATOM 587 C VAL A 91 18.272 6.670 3.759 1.00 38.72 C ATOM 588 O VAL A 91 19.471 6.454 3.554 1.00 33.06 O ATOM 589 CB VAL A 91 16.683 4.768 3.352 1.00 38.52 C ATOM 590 CG1 VAL A 91 17.726 4.183 2.353 1.00 40.53 C ATOM 591 CG2 VAL A 91 15.785 3.675 4.011 1.00 36.17 C ATOM 592 H VAL A 91 15.490 6.509 4.925 1.00 0.00 H ATOM 593 N SER A 92 17.682 7.790 3.358 1.00 35.50 N ATOM 594 CA SER A 92 18.442 8.703 2.516 1.00 38.24 C ATOM 595 C SER A 92 19.225 9.689 3.388 1.00 38.49 C ATOM 596 O SER A 92 19.148 9.672 4.624 1.00 34.70 O ATOM 597 CB SER A 92 17.517 9.414 1.524 1.00 41.04 C ATOM 598 OG SER A 92 16.532 10.169 2.196 1.00 35.98 O ATOM 599 HG SER A 92 15.950 10.616 1.531 1.00 0.00 H ATOM 600 H SER A 92 16.704 8.009 3.638 1.00 0.00 H ATOM 601 N CYS A 93 20.022 10.528 2.721 1.00 38.01 N ATOM 602 CA CYS A 93 20.888 11.505 3.372 1.00 37.70 C ATOM 603 C CYS A 93 20.138 12.823 3.471 1.00 34.63 C ATOM 604 O CYS A 93 19.954 13.492 2.438 1.00 31.72 O ATOM 605 CB CYS A 93 22.173 11.670 2.582 1.00 38.95 C ATOM 606 SG CYS A 93 23.192 13.134 3.014 1.00 42.47 S ATOM 607 H CYS A 93 20.025 10.482 1.682 1.00 0.00 H ATOM 608 N PRO A 94 19.659 13.239 4.631 1.00 34.18 N ATOM 609 CA PRO A 94 18.901 14.489 4.718 1.00 37.67 C ATOM 610 C PRO A 94 19.827 15.700 4.746 1.00 44.87 C ATOM 611 O PRO A 94 21.001 15.602 5.098 1.00 47.99 O ATOM 612 CB PRO A 94 18.144 14.358 6.040 1.00 32.78 C ATOM 613 CG PRO A 94 19.116 13.550 6.910 1.00 37.85 C ATOM 614 CD PRO A 94 19.827 12.593 5.953 1.00 35.35 C ATOM 615 N LYS A 95 19.266 16.860 4.393 1.00 47.72 N ATOM 616 CA LYS A 95 20.044 18.092 4.482 1.00 54.42 C ATOM 617 C LYS A 95 20.252 18.551 5.920 1.00 57.09 C ATOM 618 O LYS A 95 21.106 19.413 6.162 1.00 60.23 O ATOM 619 CB LYS A 95 19.373 19.197 3.660 1.00 52.54 C ATOM 620 H LYS A 95 18.282 16.885 4.057 1.00 0.00 H ATOM 621 N SER A 96 19.525 17.975 6.873 1.00 56.91 N ATOM 622 CA SER A 96 19.561 18.366 8.276 1.00 55.89 C ATOM 623 C SER A 96 18.797 17.305 9.062 1.00 52.80 C ATOM 624 O SER A 96 18.097 16.470 8.486 1.00 50.36 O ATOM 625 CB SER A 96 18.947 19.756 8.485 1.00 59.41 C ATOM 626 OG SER A 96 17.605 19.797 8.027 1.00 57.54 O ATOM 627 HG SER A 96 17.235 20.703 8.174 1.00 0.00 H ATOM 628 H SER A 96 18.891 17.197 6.600 1.00 0.00 H ATOM 629 N GLU A 97 18.950 17.338 10.385 1.00 48.74 N ATOM 630 CA GLU A 97 18.185 16.434 11.240 1.00 50.81 C ATOM 631 C GLU A 97 16.699 16.494 10.893 1.00 45.74 C ATOM 632 O GLU A 97 16.131 17.568 10.676 1.00 47.87 O ATOM 633 CB GLU A 97 18.397 16.792 12.712 1.00 54.28 C ATOM 634 CG GLU A 97 17.768 15.818 13.703 1.00 53.66 C ATOM 635 CD GLU A 97 18.127 16.146 15.152 1.00 59.08 C ATOM 636 OE1 GLU A 97 18.973 15.425 15.742 1.00 56.28 O ATOM 637 OE2 GLU A 97 17.550 17.116 15.699 1.00 61.94 O ATOM 638 H GLU A 97 19.618 18.011 10.812 1.00 0.00 H ATOM 639 N VAL A 98 16.082 15.325 10.797 1.00 42.05 N ATOM 640 CA VAL A 98 14.678 15.198 10.447 1.00 40.02 C ATOM 641 C VAL A 98 13.931 14.867 11.732 1.00 35.36 C ATOM 642 O VAL A 98 14.394 14.041 12.528 1.00 39.04 O ATOM 643 CB VAL A 98 14.482 14.119 9.361 1.00 38.11 C ATOM 644 CG1 VAL A 98 13.015 13.760 9.197 1.00 34.66 C ATOM 645 CG2 VAL A 98 15.078 14.591 8.003 1.00 33.97 C ATOM 646 H VAL A 98 16.628 14.459 10.981 1.00 0.00 H ATOM 647 N ARG A 99 12.809 15.533 11.968 1.00 28.32 N ATOM 648 CA ARG A 99 11.967 15.198 13.111 1.00 27.83 C ATOM 649 C ARG A 99 10.654 14.654 12.575 1.00 26.78 C ATOM 650 O ARG A 99 10.012 15.298 11.737 1.00 30.28 O ATOM 651 CB ARG A 99 11.748 16.417 14.024 1.00 29.65 C ATOM 652 CG ARG A 99 12.970 16.731 14.921 1.00 42.79 C ATOM 653 CD ARG A 99 12.818 18.035 15.721 1.00 50.55 C ATOM 654 NE ARG A 99 11.688 18.013 16.650 1.00 57.41 N ATOM 655 CZ ARG A 99 10.588 18.751 16.498 1.00 57.99 C ATOM 656 NH1 ARG A 99 10.479 19.561 15.447 1.00 55.92 N ATOM 657 NH2 ARG A 99 9.601 18.678 17.388 1.00 53.32 N ATOM 658 HE ARG A 99 11.746 17.385 17.477 1.00 0.00 H ATOM 659 HH12 ARG A 99 9.624 20.139 15.323 1.00 0.00 H ATOM 660 HH11 ARG A 99 11.249 19.615 14.750 1.00 0.00 H ATOM 661 HH22 ARG A 99 8.745 19.256 17.264 1.00 0.00 H ATOM 662 HH21 ARG A 99 9.685 18.043 18.207 1.00 0.00 H ATOM 663 H ARG A 99 12.526 16.304 11.330 1.00 0.00 H ATOM 664 N ALA A 100 10.259 13.474 13.055 1.00 24.67 N ATOM 665 CA ALA A 100 9.078 12.811 12.533 1.00 27.00 C ATOM 666 C ALA A 100 8.309 12.120 13.647 1.00 22.35 C ATOM 667 O ALA A 100 8.906 11.488 14.513 1.00 26.85 O ATOM 668 CB ALA A 100 9.481 11.790 11.461 1.00 30.75 C ATOM 669 H ALA A 100 10.806 13.022 13.815 1.00 0.00 H ATOM 670 N LYS A 101 6.985 12.248 13.628 1.00 22.49 N ATOM 671 CA LYS A 101 6.115 11.423 14.453 1.00 22.31 C ATOM 672 C LYS A 101 5.660 10.254 13.596 1.00 25.76 C ATOM 673 O LYS A 101 5.529 10.385 12.376 1.00 26.96 O ATOM 674 CB LYS A 101 4.868 12.185 14.932 1.00 27.05 C ATOM 675 CG LYS A 101 5.087 13.487 15.662 1.00 38.52 C ATOM 676 CD LYS A 101 3.728 14.076 16.074 1.00 39.40 C ATOM 677 CE LYS A 101 3.896 15.416 16.760 1.00 45.60 C ATOM 678 NZ LYS A 101 2.592 15.877 17.341 1.00 50.39 N ATOM 679 HZ1 LYS A 101 1.889 15.972 16.580 1.00 0.00 H ATOM 680 HZ2 LYS A 101 2.258 15.180 18.037 1.00 0.00 H ATOM 681 HZ3 LYS A 101 2.727 16.797 17.807 1.00 0.00 H ATOM 682 H LYS A 101 6.558 12.961 13.003 1.00 0.00 H ATOM 683 N PHE A 102 5.377 9.125 14.229 1.00 23.52 N ATOM 684 CA PHE A 102 4.992 7.977 13.415 1.00 21.68 C ATOM 685 C PHE A 102 3.960 7.165 14.180 1.00 26.12 C ATOM 686 O PHE A 102 3.885 7.220 15.412 1.00 25.83 O ATOM 687 CB PHE A 102 6.226 7.130 13.029 1.00 22.16 C ATOM 688 CG PHE A 102 7.128 6.794 14.199 1.00 20.76 C ATOM 689 CD1 PHE A 102 6.899 5.658 14.954 1.00 27.30 C ATOM 690 CD2 PHE A 102 8.176 7.645 14.556 1.00 24.23 C ATOM 691 CE1 PHE A 102 7.709 5.351 16.050 1.00 27.94 C ATOM 692 CE2 PHE A 102 9.016 7.338 15.645 1.00 25.21 C ATOM 693 CZ PHE A 102 8.768 6.188 16.387 1.00 20.78 C ATOM 694 H PHE A 102 5.427 9.060 15.266 1.00 0.00 H ATOM 695 N LYS A 103 3.167 6.402 13.434 1.00 22.89 N ATOM 696 CA LYS A 103 2.176 5.495 14.004 1.00 26.28 C ATOM 697 C LYS A 103 2.181 4.222 13.162 1.00 28.56 C ATOM 698 O LYS A 103 2.182 4.302 11.921 1.00 24.38 O ATOM 699 CB LYS A 103 0.788 6.154 14.012 1.00 29.90 C ATOM 700 CG LYS A 103 -0.354 5.275 14.473 1.00 28.76 C ATOM 701 CD LYS A 103 -1.701 6.003 14.294 1.00 33.25 C ATOM 702 CE LYS A 103 -2.841 5.132 14.832 1.00 39.11 C ATOM 703 NZ LYS A 103 -4.169 5.817 15.007 1.00 40.75 N ATOM 704 HZ1 LYS A 103 -4.066 6.605 15.678 1.00 0.00 H ATOM 705 HZ2 LYS A 103 -4.493 6.182 14.089 1.00 0.00 H ATOM 706 HZ3 LYS A 103 -4.863 5.136 15.375 1.00 0.00 H ATOM 707 H LYS A 103 3.257 6.454 12.399 1.00 0.00 H ATOM 708 N PHE A 104 2.210 3.058 13.824 1.00 22.03 N ATOM 709 CA PHE A 104 2.162 1.755 13.154 1.00 24.67 C ATOM 710 C PHE A 104 0.894 1.029 13.579 1.00 26.31 C ATOM 711 O PHE A 104 0.581 0.979 14.774 1.00 26.09 O ATOM 712 CB PHE A 104 3.359 0.850 13.496 1.00 24.35 C ATOM 713 CG PHE A 104 4.713 1.492 13.349 1.00 27.13 C ATOM 714 CD1 PHE A 104 5.005 2.336 12.296 1.00 32.33 C ATOM 715 CD2 PHE A 104 5.722 1.196 14.253 1.00 28.56 C ATOM 716 CE1 PHE A 104 6.279 2.895 12.171 1.00 32.95 C ATOM 717 CE2 PHE A 104 7.006 1.722 14.116 1.00 31.85 C ATOM 718 CZ PHE A 104 7.280 2.579 13.081 1.00 30.72 C ATOM 719 H PHE A 104 2.269 3.080 14.862 1.00 0.00 H ATOM 720 N SER A 105 0.160 0.483 12.612 1.00 25.58 N ATOM 721 CA SER A 105 -1.068 -0.267 12.860 1.00 29.38 C ATOM 722 C SER A 105 -1.018 -1.561 12.077 1.00 28.17 C ATOM 723 O SER A 105 -0.311 -1.677 11.072 1.00 25.81 O ATOM 724 CB SER A 105 -2.367 0.479 12.427 1.00 24.16 C ATOM 725 OG SER A 105 -2.440 1.779 12.967 1.00 34.59 O ATOM 726 HG SER A 105 -1.663 2.308 12.657 1.00 0.00 H ATOM 727 H SER A 105 0.478 0.597 11.628 1.00 0.00 H ATOM 728 N ILE A 106 -1.825 -2.522 12.525 1.00 23.38 N ATOM 729 CA ILE A 106 -2.057 -3.746 11.785 1.00 22.20 C ATOM 730 C ILE A 106 -3.433 -3.625 11.177 1.00 23.21 C ATOM 731 O ILE A 106 -4.346 -3.080 11.803 1.00 30.96 O ATOM 732 CB ILE A 106 -1.979 -5.003 12.679 1.00 27.74 C ATOM 733 CG1 ILE A 106 -0.594 -5.111 13.338 1.00 28.73 C ATOM 734 CG2 ILE A 106 -2.327 -6.255 11.857 1.00 26.22 C ATOM 735 CD1 ILE A 106 -0.458 -6.355 14.340 1.00 29.94 C ATOM 736 H ILE A 106 -2.305 -2.389 13.438 1.00 0.00 H ATOM 737 N LEU A 107 -3.572 -4.082 9.943 1.00 22.73 N ATOM 738 CA LEU A 107 -4.862 -4.075 9.289 1.00 26.28 C ATOM 739 C LEU A 107 -5.432 -5.468 9.432 1.00 30.64 C ATOM 740 O LEU A 107 -4.812 -6.434 8.971 1.00 32.90 O ATOM 741 CB LEU A 107 -4.725 -3.693 7.820 1.00 27.55 C ATOM 742 CG LEU A 107 -4.215 -2.254 7.618 1.00 27.15 C ATOM 743 CD1 LEU A 107 -4.387 -1.839 6.135 1.00 27.99 C ATOM 744 CD2 LEU A 107 -4.889 -1.260 8.562 1.00 24.80 C ATOM 745 H LEU A 107 -2.742 -4.451 9.436 1.00 0.00 H ATOM 746 N ASN A 108 -6.629 -5.571 10.007 1.00 34.56 N ATOM 747 CA ASN A 108 -7.165 -6.900 10.261 1.00 42.25 C ATOM 748 C ASN A 108 -7.847 -7.469 9.025 1.00 41.93 C ATOM 749 O ASN A 108 -7.897 -6.852 7.955 1.00 40.10 O ATOM 750 CB ASN A 108 -8.127 -6.891 11.451 1.00 46.67 C ATOM 751 CG ASN A 108 -9.397 -6.089 11.193 1.00 45.78 C ATOM 752 OD1 ASN A 108 -9.790 -5.825 10.043 1.00 40.34 O ATOM 753 ND2 ASN A 108 -10.051 -5.688 12.282 1.00 48.83 N ATOM 754 HD22 ASN A 108 -9.688 -5.931 13.226 1.00 0.00 H ATOM 755 HD21 ASN A 108 -10.925 -5.132 12.189 1.00 0.00 H ATOM 756 H ASN A 108 -7.168 -4.721 10.269 1.00 0.00 H ATOM 757 N ALA A 109 -8.397 -8.673 9.207 1.00 45.39 N ATOM 758 CA ALA A 109 -9.009 -9.401 8.106 1.00 48.14 C ATOM 759 C ALA A 109 -10.171 -8.626 7.510 1.00 59.98 C ATOM 760 O ALA A 109 -10.432 -8.726 6.305 1.00 62.09 O ATOM 761 CB ALA A 109 -9.466 -10.782 8.583 1.00 47.66 C ATOM 762 H ALA A 109 -8.387 -9.099 10.156 1.00 0.00 H ATOM 763 N LYS A 110 -10.877 -7.847 8.328 1.00 61.90 N ATOM 764 CA LYS A 110 -11.926 -6.988 7.804 1.00 58.26 C ATOM 765 C LYS A 110 -11.385 -5.675 7.254 1.00 54.76 C ATOM 766 O LYS A 110 -12.159 -4.891 6.698 1.00 62.12 O ATOM 767 CB LYS A 110 -12.980 -6.726 8.883 1.00 57.70 C ATOM 768 CG LYS A 110 -13.848 -7.948 9.195 1.00 58.37 C ATOM 769 CD LYS A 110 -14.868 -7.658 10.281 1.00 59.73 C ATOM 770 H LYS A 110 -10.676 -7.853 9.348 1.00 0.00 H ATOM 771 N GLY A 111 -10.087 -5.417 7.379 1.00 53.32 N ATOM 772 CA GLY A 111 -9.518 -4.213 6.811 1.00 45.23 C ATOM 773 C GLY A 111 -9.447 -3.024 7.745 1.00 44.94 C ATOM 774 O GLY A 111 -9.073 -1.932 7.302 1.00 51.45 O ATOM 775 H GLY A 111 -9.475 -6.086 7.889 1.00 0.00 H ATOM 776 N GLU A 112 -9.771 -3.198 9.021 1.00 47.19 N ATOM 777 CA GLU A 112 -9.744 -2.102 9.979 1.00 45.75 C ATOM 778 C GLU A 112 -8.393 -2.017 10.690 1.00 37.31 C ATOM 779 O GLU A 112 -7.713 -3.022 10.906 1.00 32.05 O ATOM 780 CB GLU A 112 -10.861 -2.275 11.013 1.00 51.38 C ATOM 781 CG GLU A 112 -12.173 -2.749 10.408 1.00 54.61 C ATOM 782 CD GLU A 112 -13.173 -3.232 11.446 1.00 62.24 C ATOM 783 OE1 GLU A 112 -12.948 -4.295 12.067 1.00 63.14 O ATOM 784 OE2 GLU A 112 -14.197 -2.540 11.633 1.00 69.96 O ATOM 785 H GLU A 112 -10.052 -4.145 9.346 1.00 0.00 H ATOM 786 N GLU A 113 -8.027 -0.803 11.075 1.00 35.28 N ATOM 787 CA GLU A 113 -6.819 -0.595 11.856 1.00 33.08 C ATOM 788 C GLU A 113 -7.016 -1.124 13.268 1.00 37.16 C ATOM 789 O GLU A 113 -8.079 -0.942 13.880 1.00 42.16 O ATOM 790 CB GLU A 113 -6.468 0.895 11.883 1.00 35.74 C ATOM 791 CG GLU A 113 -6.225 1.468 10.470 1.00 39.01 C ATOM 792 CD GLU A 113 -6.135 2.981 10.430 1.00 52.72 C ATOM 793 OE1 GLU A 113 -5.735 3.595 11.455 1.00 57.10 O ATOM 794 OE2 GLU A 113 -6.469 3.549 9.362 1.00 52.73 O ATOM 795 H GLU A 113 -8.614 0.015 10.814 1.00 0.00 H ATOM 796 N THR A 114 -6.002 -1.819 13.771 1.00 36.60 N ATOM 797 CA THR A 114 -6.013 -2.286 15.143 1.00 40.48 C ATOM 798 C THR A 114 -4.578 -2.375 15.630 1.00 41.46 C ATOM 799 O THR A 114 -3.620 -2.180 14.868 1.00 34.54 O ATOM 800 CB THR A 114 -6.749 -3.639 15.284 1.00 42.42 C ATOM 801 OG1 THR A 114 -6.713 -4.053 16.659 1.00 42.39 O ATOM 802 CG2 THR A 114 -6.094 -4.714 14.422 1.00 40.99 C ATOM 803 HG1 THR A 114 -7.160 -3.370 17.220 1.00 0.00 H ATOM 804 H THR A 114 -5.183 -2.033 13.167 1.00 0.00 H ATOM 805 N LYS A 115 -4.439 -2.606 16.934 1.00 35.16 N ATOM 806 CA LYS A 115 -3.124 -2.791 17.554 1.00 33.78 C ATOM 807 C LYS A 115 -2.163 -1.653 17.210 1.00 33.08 C ATOM 808 O LYS A 115 -0.967 -1.861 17.028 1.00 34.19 O ATOM 809 CB LYS A 115 -2.531 -4.141 17.161 1.00 32.29 C ATOM 810 CG LYS A 115 -3.351 -5.311 17.699 1.00 44.32 C ATOM 811 CD LYS A 115 -3.487 -5.205 19.219 1.00 47.68 C ATOM 812 CE LYS A 115 -4.472 -6.220 19.787 1.00 52.77 C ATOM 813 NZ LYS A 115 -4.362 -6.315 21.277 1.00 58.92 N ATOM 814 HZ1 LYS A 115 -3.399 -6.610 21.534 1.00 0.00 H ATOM 815 HZ2 LYS A 115 -4.565 -5.386 21.698 1.00 0.00 H ATOM 816 HZ3 LYS A 115 -5.046 -7.014 21.630 1.00 0.00 H ATOM 817 H LYS A 115 -5.289 -2.657 17.531 1.00 0.00 H ATOM 818 N ALA A 116 -2.671 -0.429 17.171 1.00 32.26 N ATOM 819 CA ALA A 116 -1.795 0.685 16.833 1.00 33.08 C ATOM 820 C ALA A 116 -0.830 1.006 17.970 1.00 37.05 C ATOM 821 O ALA A 116 -1.162 0.844 19.148 1.00 32.65 O ATOM 822 CB ALA A 116 -2.629 1.913 16.491 1.00 30.93 C ATOM 823 H ALA A 116 -3.677 -0.267 17.378 1.00 0.00 H ATOM 824 N MET A 117 0.392 1.417 17.616 1.00 35.89 N ATOM 825 CA MET A 117 1.296 2.090 18.545 1.00 33.11 C ATOM 826 C MET A 117 1.819 3.359 17.902 1.00 32.10 C ATOM 827 O MET A 117 2.247 3.336 16.745 1.00 25.15 O ATOM 828 CB MET A 117 2.482 1.232 18.930 1.00 35.70 C ATOM 829 CG MET A 117 2.161 0.257 20.001 1.00 48.35 C ATOM 830 SD MET A 117 3.687 -0.453 20.593 1.00 44.49 S ATOM 831 CE MET A 117 2.946 -1.867 21.410 1.00 49.12 C ATOM 832 H MET A 117 0.712 1.251 16.640 1.00 0.00 H ATOM 833 N GLU A 118 1.852 4.463 18.649 1.00 28.07 N ATOM 834 CA GLU A 118 2.307 5.701 18.033 1.00 35.07 C ATOM 835 C GLU A 118 3.299 6.415 18.925 1.00 36.04 C ATOM 836 O GLU A 118 3.319 6.231 20.147 1.00 33.60 O ATOM 837 CB GLU A 118 1.140 6.638 17.662 1.00 39.31 C ATOM 838 CG GLU A 118 0.282 7.130 18.764 1.00 45.58 C ATOM 839 CD GLU A 118 -0.983 7.770 18.197 1.00 57.08 C ATOM 840 OE1 GLU A 118 -2.081 7.219 18.414 1.00 58.17 O ATOM 841 OE2 GLU A 118 -0.878 8.804 17.500 1.00 57.96 O ATOM 842 H GLU A 118 1.560 4.440 19.647 1.00 0.00 H ATOM 843 N SER A 119 4.175 7.175 18.284 1.00 27.94 N ATOM 844 CA SER A 119 5.145 7.956 19.019 1.00 35.96 C ATOM 845 C SER A 119 4.413 9.098 19.712 1.00 36.83 C ATOM 846 O SER A 119 3.516 9.718 19.140 1.00 37.99 O ATOM 847 CB SER A 119 6.209 8.470 18.065 1.00 31.19 C ATOM 848 OG SER A 119 5.673 9.481 17.243 1.00 27.58 O ATOM 849 HG SER A 119 5.353 10.229 17.808 1.00 0.00 H ATOM 850 H SER A 119 4.165 7.210 17.245 1.00 0.00 H ATOM 851 N GLN A 120 4.740 9.347 20.968 1.00 49.19 N ATOM 852 CA GLN A 120 3.971 10.403 21.628 1.00 44.30 C ATOM 853 C GLN A 120 4.373 11.783 21.127 1.00 42.78 C ATOM 854 O GLN A 120 3.694 12.778 21.411 1.00 44.44 O ATOM 855 CB GLN A 120 4.139 10.288 23.141 1.00 49.82 C ATOM 856 H GLN A 120 5.496 8.826 21.456 1.00 0.00 H ATOM 857 N ARG A 121 5.453 11.861 20.375 1.00 29.32 N ATOM 858 CA ARG A 121 5.993 13.131 19.925 1.00 26.94 C ATOM 859 C ARG A 121 6.930 12.806 18.769 1.00 26.87 C ATOM 860 O ARG A 121 7.063 11.641 18.388 1.00 31.17 O ATOM 861 CB ARG A 121 6.690 13.839 21.085 1.00 30.69 C ATOM 862 CG ARG A 121 7.598 12.921 21.858 1.00 31.70 C ATOM 863 CD ARG A 121 9.023 13.256 21.579 1.00 35.61 C ATOM 864 NE ARG A 121 9.978 12.580 22.463 1.00 36.73 N ATOM 865 CZ ARG A 121 11.250 12.385 22.120 1.00 37.92 C ATOM 866 NH1 ARG A 121 11.674 12.824 20.937 1.00 31.75 N ATOM 867 NH2 ARG A 121 12.101 11.777 22.945 1.00 39.47 N ATOM 868 HE ARG A 121 9.651 12.241 23.390 1.00 0.00 H ATOM 869 HH12 ARG A 121 12.664 12.680 20.653 1.00 0.00 H ATOM 870 HH11 ARG A 121 11.015 13.311 20.296 1.00 0.00 H ATOM 871 HH22 ARG A 121 13.091 11.634 22.659 1.00 0.00 H ATOM 872 HH21 ARG A 121 11.776 11.445 23.875 1.00 0.00 H ATOM 873 H ARG A 121 5.934 10.983 20.095 1.00 0.00 H ATOM 874 N ALA A 122 7.593 13.826 18.230 1.00 28.18 N ATOM 875 CA ALA A 122 8.480 13.612 17.094 1.00 32.25 C ATOM 876 C ALA A 122 9.844 13.150 17.561 1.00 31.45 C ATOM 877 O ALA A 122 10.363 13.620 18.570 1.00 30.17 O ATOM 878 CB ALA A 122 8.647 14.882 16.265 1.00 30.25 C ATOM 879 H ALA A 122 7.477 14.782 18.622 1.00 0.00 H ATOM 880 N TYR A 123 10.440 12.248 16.802 1.00 29.22 N ATOM 881 CA TYR A 123 11.765 11.748 17.116 1.00 26.59 C ATOM 882 C TYR A 123 12.734 12.216 16.057 1.00 29.87 C ATOM 883 O TYR A 123 12.352 12.545 14.932 1.00 28.30 O ATOM 884 CB TYR A 123 11.778 10.212 17.240 1.00 25.69 C ATOM 885 CG TYR A 123 11.239 9.771 18.573 1.00 28.65 C ATOM 886 CD1 TYR A 123 9.873 9.800 18.817 1.00 28.02 C ATOM 887 CD2 TYR A 123 12.083 9.389 19.608 1.00 28.50 C ATOM 888 CE1 TYR A 123 9.346 9.421 20.048 1.00 32.76 C ATOM 889 CE2 TYR A 123 11.566 9.012 20.855 1.00 34.26 C ATOM 890 CZ TYR A 123 10.199 9.048 21.063 1.00 36.18 C ATOM 891 OH TYR A 123 9.625 8.677 22.255 1.00 41.03 O ATOM 892 HH TYR A 123 8.642 8.777 22.192 1.00 0.00 H ATOM 893 H TYR A 123 9.948 11.888 15.960 1.00 0.00 H ATOM 894 N ARG A 124 14.006 12.264 16.436 1.00 31.02 N ATOM 895 CA ARG A 124 15.036 12.842 15.588 1.00 34.56 C ATOM 896 C ARG A 124 15.728 11.757 14.773 1.00 33.91 C ATOM 897 O ARG A 124 16.250 10.793 15.339 1.00 31.20 O ATOM 898 CB ARG A 124 16.042 13.597 16.456 1.00 40.13 C ATOM 899 CG ARG A 124 15.351 14.708 17.249 1.00 39.56 C ATOM 900 CD ARG A 124 16.198 15.207 18.415 1.00 48.36 C ATOM 901 NE ARG A 124 15.615 16.397 19.032 1.00 56.44 N ATOM 902 CZ ARG A 124 14.612 16.387 19.910 1.00 53.72 C ATOM 903 NH1 ARG A 124 14.040 15.242 20.284 1.00 45.38 N ATOM 904 NH2 ARG A 124 14.169 17.537 20.403 1.00 52.75 N ATOM 905 HE ARG A 124 16.012 17.321 18.766 1.00 0.00 H ATOM 906 HH12 ARG A 124 13.258 15.251 20.970 1.00 0.00 H ATOM 907 HH11 ARG A 124 14.375 14.340 19.890 1.00 0.00 H ATOM 908 HH22 ARG A 124 13.387 17.542 21.089 1.00 0.00 H ATOM 909 HH21 ARG A 124 14.604 18.433 20.104 1.00 0.00 H ATOM 910 H ARG A 124 14.272 11.878 17.364 1.00 0.00 H ATOM 911 N PHE A 125 15.746 11.934 13.447 1.00 34.09 N ATOM 912 CA PHE A 125 16.295 10.960 12.506 1.00 35.66 C ATOM 913 C PHE A 125 17.491 11.539 11.769 1.00 35.91 C ATOM 914 O PHE A 125 17.455 12.687 11.314 1.00 37.44 O ATOM 915 CB PHE A 125 15.261 10.538 11.438 1.00 29.77 C ATOM 916 CG PHE A 125 14.178 9.632 11.948 1.00 27.40 C ATOM 917 CD1 PHE A 125 13.054 10.159 12.566 1.00 24.57 C ATOM 918 CD2 PHE A 125 14.264 8.253 11.778 1.00 26.13 C ATOM 919 CE1 PHE A 125 12.010 9.333 13.000 1.00 28.72 C ATOM 920 CE2 PHE A 125 13.233 7.420 12.219 1.00 23.89 C ATOM 921 CZ PHE A 125 12.114 7.954 12.831 1.00 29.39 C ATOM 922 H PHE A 125 15.347 12.815 13.064 1.00 0.00 H ATOM 923 N VAL A 126 18.550 10.739 11.642 1.00 39.66 N ATOM 924 CA VAL A 126 19.618 10.986 10.681 1.00 39.76 C ATOM 925 C VAL A 126 19.689 9.758 9.773 1.00 37.72 C ATOM 926 O VAL A 126 19.002 8.763 9.998 1.00 38.07 O ATOM 927 CB VAL A 126 20.981 11.265 11.360 1.00 42.52 C ATOM 928 CG1 VAL A 126 20.893 12.511 12.241 1.00 42.24 C ATOM 929 CG2 VAL A 126 21.418 10.069 12.173 1.00 40.10 C ATOM 930 H VAL A 126 18.617 9.902 12.256 1.00 0.00 H ATOM 931 N GLN A 127 20.499 9.837 8.722 1.00 36.06 N ATOM 932 CA GLN A 127 20.641 8.654 7.870 1.00 42.72 C ATOM 933 C GLN A 127 21.030 7.431 8.702 1.00 42.04 C ATOM 934 O GLN A 127 21.961 7.476 9.517 1.00 37.33 O ATOM 935 CB GLN A 127 21.677 8.887 6.766 1.00 46.51 C ATOM 936 CG GLN A 127 21.913 7.646 5.904 1.00 42.95 C ATOM 937 CD GLN A 127 22.690 7.967 4.670 1.00 45.94 C ATOM 938 OE1 GLN A 127 22.204 7.820 3.540 1.00 43.27 O ATOM 939 NE2 GLN A 127 23.928 8.423 4.868 1.00 46.00 N ATOM 940 HE22 GLN A 127 24.294 8.530 5.835 1.00 0.00 H ATOM 941 HE21 GLN A 127 24.527 8.671 4.055 1.00 0.00 H ATOM 942 H GLN A 127 21.017 10.714 8.511 1.00 0.00 H ATOM 943 N GLY A 128 20.292 6.337 8.509 1.00 39.42 N ATOM 944 CA GLY A 128 20.522 5.113 9.241 1.00 36.31 C ATOM 945 C GLY A 128 19.846 5.017 10.598 1.00 34.19 C ATOM 946 O GLY A 128 19.895 3.950 11.216 1.00 36.47 O ATOM 947 H GLY A 128 19.525 6.366 7.808 1.00 0.00 H ATOM 948 N LYS A 129 19.214 6.082 11.089 1.00 35.88 N ATOM 949 CA LYS A 129 18.569 6.054 12.400 1.00 37.44 C ATOM 950 C LYS A 129 17.228 5.340 12.323 1.00 35.62 C ATOM 951 O LYS A 129 16.417 5.612 11.432 1.00 30.48 O ATOM 952 CB LYS A 129 18.343 7.486 12.917 1.00 37.46 C ATOM 953 CG LYS A 129 17.787 7.596 14.318 1.00 37.18 C ATOM 954 CD LYS A 129 18.864 7.268 15.352 1.00 41.01 C ATOM 955 CE LYS A 129 18.312 7.306 16.758 1.00 44.29 C ATOM 956 NZ LYS A 129 19.309 6.808 17.752 1.00 38.95 N ATOM 957 HZ1 LYS A 129 19.563 5.826 17.524 1.00 0.00 H ATOM 958 HZ2 LYS A 129 20.160 7.404 17.716 1.00 0.00 H ATOM 959 HZ3 LYS A 129 18.896 6.848 18.706 1.00 0.00 H ATOM 960 H LYS A 129 19.179 6.955 10.525 1.00 0.00 H ATOM 961 N ASP A 130 16.962 4.463 13.298 1.00 31.38 N ATOM 962 CA ASP A 130 15.635 3.891 13.420 1.00 34.46 C ATOM 963 C ASP A 130 14.985 4.337 14.716 1.00 30.18 C ATOM 964 O ASP A 130 15.656 4.685 15.686 1.00 32.41 O ATOM 965 CB ASP A 130 15.636 2.343 13.319 1.00 39.66 C ATOM 966 CG ASP A 130 16.518 1.655 14.344 1.00 50.85 C ATOM 967 OD1 ASP A 130 16.807 2.203 15.422 1.00 57.11 O ATOM 968 OD2 ASP A 130 16.918 0.510 14.059 1.00 60.55 O ATOM 969 H ASP A 130 17.708 4.191 13.969 1.00 0.00 H ATOM 970 N TRP A 131 13.656 4.343 14.704 1.00 26.64 N ATOM 971 CA TRP A 131 12.834 4.536 15.879 1.00 28.84 C ATOM 972 C TRP A 131 11.668 3.590 15.706 1.00 28.28 C ATOM 973 O TRP A 131 11.179 3.397 14.582 1.00 26.75 O ATOM 974 CB TRP A 131 12.329 6.004 16.022 1.00 24.96 C ATOM 975 CG TRP A 131 13.416 6.930 16.492 1.00 27.68 C ATOM 976 CD1 TRP A 131 14.142 7.817 15.745 1.00 27.70 C ATOM 977 CD2 TRP A 131 13.932 7.006 17.823 1.00 31.21 C ATOM 978 NE1 TRP A 131 15.070 8.465 16.548 1.00 32.12 N ATOM 979 CE2 TRP A 131 14.956 7.978 17.825 1.00 32.85 C ATOM 980 CE3 TRP A 131 13.602 6.364 19.023 1.00 36.39 C ATOM 981 CZ2 TRP A 131 15.669 8.315 18.981 1.00 35.91 C ATOM 982 CZ3 TRP A 131 14.317 6.704 20.179 1.00 36.76 C ATOM 983 CH2 TRP A 131 15.334 7.672 20.139 1.00 36.42 C ATOM 984 HE1 TRP A 131 15.739 9.197 16.234 1.00 0.00 H ATOM 985 H TRP A 131 13.177 4.200 13.792 1.00 0.00 H ATOM 986 N GLY A 132 11.231 2.993 16.800 1.00 31.95 N ATOM 987 CA GLY A 132 10.107 2.085 16.697 1.00 29.62 C ATOM 988 C GLY A 132 9.702 1.496 18.018 1.00 32.21 C ATOM 989 O GLY A 132 9.806 2.163 19.057 1.00 28.50 O ATOM 990 H GLY A 132 11.685 3.171 17.718 1.00 0.00 H ATOM 991 N PHE A 133 9.218 0.255 17.982 1.00 27.47 N ATOM 992 CA PHE A 133 8.687 -0.403 19.167 1.00 32.34 C ATOM 993 C PHE A 133 9.225 -1.822 19.196 1.00 33.57 C ATOM 994 O PHE A 133 8.834 -2.663 18.376 1.00 31.12 O ATOM 995 CB PHE A 133 7.153 -0.369 19.184 1.00 28.60 C ATOM 996 CG PHE A 133 6.600 1.040 19.106 1.00 30.07 C ATOM 997 CD1 PHE A 133 6.623 1.871 20.219 1.00 27.49 C ATOM 998 CD2 PHE A 133 6.148 1.555 17.904 1.00 28.93 C ATOM 999 CE1 PHE A 133 6.122 3.184 20.134 1.00 32.74 C ATOM 1000 CE2 PHE A 133 5.695 2.850 17.803 1.00 31.36 C ATOM 1001 CZ PHE A 133 5.658 3.671 18.902 1.00 31.93 C ATOM 1002 H PHE A 133 9.220 -0.260 17.078 1.00 0.00 H ATOM 1003 N LYS A 134 10.134 -2.072 20.138 1.00 29.75 N ATOM 1004 CA LYS A 134 10.691 -3.407 20.292 1.00 32.13 C ATOM 1005 C LYS A 134 9.620 -4.427 20.638 1.00 34.43 C ATOM 1006 O LYS A 134 9.709 -5.591 20.227 1.00 35.51 O ATOM 1007 CB LYS A 134 11.776 -3.377 21.376 1.00 38.57 C ATOM 1008 CG LYS A 134 12.719 -4.542 21.307 1.00 48.23 C ATOM 1009 CD LYS A 134 13.943 -4.390 22.234 1.00 52.38 C ATOM 1010 CE LYS A 134 13.638 -3.573 23.486 1.00 52.69 C ATOM 1011 NZ LYS A 134 14.764 -3.640 24.463 1.00 52.07 N ATOM 1012 HZ1 LYS A 134 14.921 -4.629 24.742 1.00 0.00 H ATOM 1013 HZ2 LYS A 134 15.627 -3.262 24.022 1.00 0.00 H ATOM 1014 HZ3 LYS A 134 14.527 -3.075 25.303 1.00 0.00 H ATOM 1015 H LYS A 134 10.448 -1.306 20.768 1.00 0.00 H ATOM 1016 N LYS A 135 8.597 -4.019 21.367 1.00 33.74 N ATOM 1017 CA LYS A 135 7.533 -4.909 21.786 1.00 38.75 C ATOM 1018 C LYS A 135 6.246 -4.430 21.134 1.00 30.78 C ATOM 1019 O LYS A 135 5.345 -3.960 21.806 1.00 31.04 O ATOM 1020 CB LYS A 135 7.426 -4.953 23.346 1.00 40.95 C ATOM 1021 CG LYS A 135 8.640 -5.600 24.001 1.00 47.12 C ATOM 1022 CD LYS A 135 8.498 -5.634 25.530 1.00 49.03 C ATOM 1023 H LYS A 135 8.553 -3.020 21.652 1.00 0.00 H ATOM 1024 N PHE A 136 6.173 -4.559 19.803 1.00 30.39 N ATOM 1025 CA PHE A 136 5.027 -4.018 19.077 1.00 26.75 C ATOM 1026 C PHE A 136 3.781 -4.878 19.284 1.00 25.91 C ATOM 1027 O PHE A 136 2.701 -4.356 19.587 1.00 26.75 O ATOM 1028 CB PHE A 136 5.353 -3.885 17.575 1.00 32.20 C ATOM 1029 CG PHE A 136 4.171 -3.412 16.755 1.00 31.00 C ATOM 1030 CD1 PHE A 136 3.623 -2.145 16.971 1.00 26.30 C ATOM 1031 CD2 PHE A 136 3.603 -4.232 15.788 1.00 30.46 C ATOM 1032 CE1 PHE A 136 2.520 -1.690 16.242 1.00 22.24 C ATOM 1033 CE2 PHE A 136 2.490 -3.784 15.049 1.00 30.43 C ATOM 1034 CZ PHE A 136 1.947 -2.503 15.287 1.00 21.73 C ATOM 1035 H PHE A 136 6.933 -5.045 19.286 1.00 0.00 H ATOM 1036 N ILE A 137 3.905 -6.193 19.115 1.00 32.43 N ATOM 1037 CA ILE A 137 2.801 -7.108 19.380 1.00 31.70 C ATOM 1038 C ILE A 137 3.379 -8.442 19.841 1.00 35.07 C ATOM 1039 O ILE A 137 4.453 -8.859 19.399 1.00 31.55 O ATOM 1040 CB ILE A 137 1.896 -7.289 18.140 1.00 34.54 C ATOM 1041 CG1 ILE A 137 0.637 -8.044 18.533 1.00 39.74 C ATOM 1042 CG2 ILE A 137 2.675 -7.998 16.995 1.00 37.69 C ATOM 1043 CD1 ILE A 137 -0.575 -7.727 17.692 1.00 37.19 C ATOM 1044 H ILE A 137 4.813 -6.578 18.785 1.00 0.00 H ATOM 1045 N ARG A 138 2.652 -9.117 20.736 1.00 38.02 N ATOM 1046 CA ARG A 138 3.033 -10.470 21.130 1.00 40.24 C ATOM 1047 C ARG A 138 2.897 -11.432 19.954 1.00 31.57 C ATOM 1048 O ARG A 138 1.848 -11.506 19.305 1.00 35.24 O ATOM 1049 CB ARG A 138 2.170 -10.946 22.307 1.00 46.24 C ATOM 1050 CG ARG A 138 2.874 -10.872 23.662 1.00 51.05 C ATOM 1051 CD ARG A 138 2.233 -11.811 24.700 1.00 50.27 C ATOM 1052 NE ARG A 138 2.970 -13.068 24.834 1.00 52.44 N ATOM 1053 HE ARG A 138 3.821 -13.236 24.260 1.00 0.00 H ATOM 1054 H ARG A 138 1.809 -8.675 21.155 1.00 0.00 H ATOM 1055 N ARG A 139 3.956 -12.190 19.707 1.00 28.94 N ATOM 1056 CA ARG A 139 3.955 -13.172 18.626 1.00 36.37 C ATOM 1057 C ARG A 139 2.785 -14.152 18.738 1.00 42.32 C ATOM 1058 O ARG A 139 2.105 -14.453 17.747 1.00 41.87 O ATOM 1059 CB ARG A 139 5.271 -13.929 18.646 1.00 41.57 C ATOM 1060 CG ARG A 139 6.327 -13.466 17.683 1.00 49.38 C ATOM 1061 CD ARG A 139 7.440 -14.527 17.564 1.00 50.93 C ATOM 1062 NE ARG A 139 7.035 -15.716 16.817 1.00 50.97 N ATOM 1063 CZ ARG A 139 7.105 -15.824 15.491 1.00 58.77 C ATOM 1064 NH1 ARG A 139 7.541 -14.800 14.753 1.00 54.57 N ATOM 1065 NH2 ARG A 139 6.726 -16.948 14.890 1.00 60.47 N ATOM 1066 HE ARG A 139 6.669 -16.528 17.354 1.00 0.00 H ATOM 1067 HH12 ARG A 139 7.594 -14.890 13.718 1.00 0.00 H ATOM 1068 HH11 ARG A 139 7.828 -13.913 15.213 1.00 0.00 H ATOM 1069 HH22 ARG A 139 6.782 -17.029 13.855 1.00 0.00 H ATOM 1070 HH21 ARG A 139 6.373 -17.747 15.455 1.00 0.00 H ATOM 1071 H ARG A 139 4.806 -12.083 20.296 1.00 0.00 H ATOM 1072 N ASP A 140 2.550 -14.694 19.934 1.00 44.94 N ATOM 1073 CA ASP A 140 1.525 -15.733 20.036 1.00 42.88 C ATOM 1074 C ASP A 140 0.146 -15.136 19.815 1.00 35.78 C ATOM 1075 O ASP A 140 -0.725 -15.772 19.211 1.00 44.22 O ATOM 1076 CB ASP A 140 1.598 -16.441 21.393 1.00 47.90 C ATOM 1077 CG ASP A 140 1.692 -15.468 22.554 1.00 56.21 C ATOM 1078 OD1 ASP A 140 2.342 -15.812 23.565 1.00 66.77 O ATOM 1079 OD2 ASP A 140 1.141 -14.348 22.454 1.00 61.52 O ATOM 1080 H ASP A 140 3.082 -14.386 20.773 1.00 0.00 H ATOM 1081 N PHE A 141 -0.068 -13.903 20.283 1.00 34.92 N ATOM 1082 CA PHE A 141 -1.332 -13.244 19.977 1.00 40.27 C ATOM 1083 C PHE A 141 -1.469 -13.040 18.476 1.00 40.25 C ATOM 1084 O PHE A 141 -2.546 -13.239 17.904 1.00 40.26 O ATOM 1085 CB PHE A 141 -1.421 -11.903 20.703 1.00 39.71 C ATOM 1086 CG PHE A 141 -2.753 -11.255 20.587 1.00 39.55 C ATOM 1087 CD1 PHE A 141 -3.027 -10.392 19.542 1.00 37.91 C ATOM 1088 CD2 PHE A 141 -3.750 -11.505 21.526 1.00 36.61 C ATOM 1089 CE1 PHE A 141 -4.262 -9.784 19.430 1.00 37.55 C ATOM 1090 CE2 PHE A 141 -4.996 -10.883 21.428 1.00 45.04 C ATOM 1091 CZ PHE A 141 -5.257 -10.021 20.371 1.00 43.29 C ATOM 1092 H PHE A 141 0.655 -13.422 20.856 1.00 0.00 H ATOM 1093 N LEU A 142 -0.377 -12.636 17.829 1.00 37.52 N ATOM 1094 CA LEU A 142 -0.393 -12.410 16.389 1.00 36.56 C ATOM 1095 C LEU A 142 -0.725 -13.686 15.622 1.00 38.77 C ATOM 1096 O LEU A 142 -1.500 -13.659 14.659 1.00 39.74 O ATOM 1097 CB LEU A 142 0.973 -11.880 15.969 1.00 35.76 C ATOM 1098 CG LEU A 142 1.132 -11.522 14.488 1.00 36.70 C ATOM 1099 CD1 LEU A 142 0.081 -10.496 14.094 1.00 36.62 C ATOM 1100 CD2 LEU A 142 2.539 -10.993 14.245 1.00 41.80 C ATOM 1101 H LEU A 142 0.503 -12.479 18.361 1.00 0.00 H ATOM 1102 N LEU A 143 -0.144 -14.821 16.029 1.00 37.22 N ATOM 1103 CA LEU A 143 -0.324 -16.060 15.278 1.00 34.94 C ATOM 1104 C LEU A 143 -1.671 -16.748 15.519 1.00 36.03 C ATOM 1105 O LEU A 143 -2.019 -17.665 14.767 1.00 37.66 O ATOM 1106 CB LEU A 143 0.802 -17.033 15.613 1.00 40.95 C ATOM 1107 CG LEU A 143 2.178 -16.677 15.069 1.00 42.48 C ATOM 1108 CD1 LEU A 143 3.218 -17.568 15.719 1.00 46.46 C ATOM 1109 CD2 LEU A 143 2.194 -16.844 13.557 1.00 39.04 C ATOM 1110 H LEU A 143 0.441 -14.820 16.889 1.00 0.00 H ATOM 1111 N ASP A 144 -2.438 -16.336 16.522 1.00 42.77 N ATOM 1112 CA ASP A 144 -3.712 -16.983 16.826 1.00 45.41 C ATOM 1113 C ASP A 144 -4.786 -16.547 15.824 1.00 38.40 C ATOM 1114 O ASP A 144 -5.206 -15.382 15.816 1.00 38.30 O ATOM 1115 CB ASP A 144 -4.127 -16.651 18.258 1.00 49.29 C ATOM 1116 CG ASP A 144 -5.494 -17.238 18.640 1.00 56.94 C ATOM 1117 OD1 ASP A 144 -6.081 -18.012 17.846 1.00 53.54 O ATOM 1118 OD2 ASP A 144 -5.979 -16.909 19.752 1.00 63.55 O ATOM 1119 H ASP A 144 -2.124 -15.534 17.105 1.00 0.00 H ATOM 1120 N GLU A 145 -5.282 -17.497 15.031 1.00 45.03 N ATOM 1121 CA GLU A 145 -6.213 -17.160 13.953 1.00 46.45 C ATOM 1122 C GLU A 145 -7.474 -16.481 14.472 1.00 46.99 C ATOM 1123 O GLU A 145 -8.095 -15.690 13.752 1.00 51.08 O ATOM 1124 CB GLU A 145 -6.585 -18.413 13.157 1.00 45.97 C ATOM 1125 CG GLU A 145 -7.562 -18.128 12.026 1.00 52.30 C ATOM 1126 H GLU A 145 -5.004 -18.488 15.180 1.00 0.00 H ATOM 1127 N ALA A 146 -7.864 -16.757 15.715 1.00 41.56 N ATOM 1128 CA ALA A 146 -9.065 -16.135 16.261 1.00 43.02 C ATOM 1129 C ALA A 146 -8.926 -14.631 16.387 1.00 41.97 C ATOM 1130 O ALA A 146 -9.933 -13.936 16.562 1.00 42.39 O ATOM 1131 CB ALA A 146 -9.409 -16.724 17.638 1.00 40.45 C ATOM 1132 H ALA A 146 -7.311 -17.417 16.298 1.00 0.00 H ATOM 1133 N ASN A 147 -7.709 -14.113 16.322 1.00 41.72 N ATOM 1134 CA ASN A 147 -7.521 -12.682 16.472 1.00 42.10 C ATOM 1135 C ASN A 147 -7.625 -11.944 15.145 1.00 38.05 C ATOM 1136 O ASN A 147 -7.745 -10.713 15.152 1.00 44.15 O ATOM 1137 CB ASN A 147 -6.188 -12.414 17.159 1.00 34.37 C ATOM 1138 CG ASN A 147 -6.235 -12.764 18.623 1.00 43.89 C ATOM 1139 OD1 ASN A 147 -7.245 -12.497 19.276 1.00 37.23 O ATOM 1140 ND2 ASN A 147 -5.158 -13.380 19.151 1.00 37.75 N ATOM 1141 HD22 ASN A 147 -4.330 -13.582 18.555 1.00 0.00 H ATOM 1142 HD21 ASN A 147 -5.155 -13.653 20.155 1.00 0.00 H ATOM 1143 H ASN A 147 -6.888 -14.732 16.163 1.00 0.00 H ATOM 1144 N GLY A 148 -7.633 -12.675 14.029 1.00 37.49 N ATOM 1145 CA GLY A 148 -7.856 -12.097 12.719 1.00 38.73 C ATOM 1146 C GLY A 148 -6.779 -11.144 12.254 1.00 39.00 C ATOM 1147 O GLY A 148 -7.050 -10.280 11.408 1.00 45.96 O ATOM 1148 H GLY A 148 -7.473 -13.700 14.102 1.00 0.00 H ATOM 1149 N LEU A 149 -5.569 -11.264 12.778 1.00 39.46 N ATOM 1150 CA LEU A 149 -4.482 -10.370 12.380 1.00 36.74 C ATOM 1151 C LEU A 149 -3.642 -10.926 11.243 1.00 35.23 C ATOM 1152 O LEU A 149 -2.797 -10.202 10.702 1.00 37.64 O ATOM 1153 CB LEU A 149 -3.569 -10.064 13.578 1.00 29.42 C ATOM 1154 CG LEU A 149 -4.272 -9.429 14.792 1.00 34.41 C ATOM 1155 CD1 LEU A 149 -3.307 -9.040 15.886 1.00 34.62 C ATOM 1156 CD2 LEU A 149 -5.121 -8.234 14.403 1.00 32.99 C ATOM 1157 H LEU A 149 -5.389 -12.006 13.484 1.00 0.00 H ATOM 1158 N LEU A 150 -3.807 -12.193 10.882 1.00 32.59 N ATOM 1159 CA LEU A 150 -3.042 -12.785 9.782 1.00 38.57 C ATOM 1160 C LEU A 150 -3.980 -13.474 8.803 1.00 38.85 C ATOM 1161 O LEU A 150 -3.903 -14.691 8.606 1.00 42.86 O ATOM 1162 CB LEU A 150 -1.996 -13.773 10.303 1.00 38.35 C ATOM 1163 CG LEU A 150 -0.840 -13.312 11.194 1.00 35.97 C ATOM 1164 CD1 LEU A 150 0.067 -14.508 11.548 1.00 32.99 C ATOM 1165 CD2 LEU A 150 -0.012 -12.242 10.485 1.00 36.01 C ATOM 1166 H LEU A 150 -4.497 -12.780 11.393 1.00 0.00 H ATOM 1167 N PRO A 151 -4.889 -12.729 8.173 1.00 40.49 N ATOM 1168 CA PRO A 151 -5.741 -13.346 7.150 1.00 39.19 C ATOM 1169 C PRO A 151 -4.877 -13.972 6.071 1.00 41.69 C ATOM 1170 O PRO A 151 -3.972 -13.334 5.533 1.00 37.98 O ATOM 1171 CB PRO A 151 -6.558 -12.167 6.602 1.00 42.45 C ATOM 1172 CG PRO A 151 -5.700 -10.966 6.871 1.00 37.79 C ATOM 1173 CD PRO A 151 -5.038 -11.260 8.201 1.00 34.89 C ATOM 1174 N ASP A 152 -5.146 -15.243 5.775 1.00 45.84 N ATOM 1175 CA ASP A 152 -4.408 -15.983 4.756 1.00 44.93 C ATOM 1176 C ASP A 152 -2.910 -15.985 5.025 1.00 32.46 C ATOM 1177 O ASP A 152 -2.103 -16.128 4.101 1.00 37.01 O ATOM 1178 CB ASP A 152 -4.681 -15.452 3.350 1.00 49.58 C ATOM 1179 CG ASP A 152 -4.738 -16.566 2.335 1.00 63.24 C ATOM 1180 OD1 ASP A 152 -5.645 -17.415 2.458 1.00 71.26 O ATOM 1181 OD2 ASP A 152 -3.868 -16.619 1.438 1.00 71.49 O ATOM 1182 H ASP A 152 -5.910 -15.726 6.289 1.00 0.00 H ATOM 1183 N ASP A 153 -2.542 -15.872 6.295 1.00 34.93 N ATOM 1184 CA ASP A 153 -1.147 -15.892 6.715 1.00 39.63 C ATOM 1185 C ASP A 153 -0.398 -14.677 6.186 1.00 34.04 C ATOM 1186 O ASP A 153 0.785 -14.769 5.856 1.00 36.59 O ATOM 1187 CB ASP A 153 -0.437 -17.185 6.292 1.00 39.28 C ATOM 1188 CG ASP A 153 0.793 -17.474 7.139 1.00 36.94 C ATOM 1189 OD1 ASP A 153 0.898 -16.877 8.247 1.00 34.54 O ATOM 1190 OD2 ASP A 153 1.648 -18.265 6.690 1.00 39.91 O ATOM 1191 H ASP A 153 -3.280 -15.765 7.020 1.00 0.00 H ATOM 1192 N LYS A 154 -1.103 -13.555 6.058 1.00 33.01 N ATOM 1193 CA LYS A 154 -0.517 -12.298 5.596 1.00 31.71 C ATOM 1194 C LYS A 154 -0.607 -11.275 6.707 1.00 31.27 C ATOM 1195 O LYS A 154 -1.688 -11.066 7.278 1.00 30.11 O ATOM 1196 CB LYS A 154 -1.235 -11.749 4.360 1.00 37.39 C ATOM 1197 CG LYS A 154 -1.031 -12.574 3.100 1.00 38.62 C ATOM 1198 CD LYS A 154 -1.994 -12.100 2.033 1.00 42.15 C ATOM 1199 H LYS A 154 -2.115 -13.574 6.297 1.00 0.00 H ATOM 1200 N LEU A 155 0.519 -10.624 6.990 1.00 30.06 N ATOM 1201 CA LEU A 155 0.572 -9.526 7.941 1.00 27.55 C ATOM 1202 C LEU A 155 0.621 -8.228 7.159 1.00 25.12 C ATOM 1203 O LEU A 155 1.585 -7.983 6.429 1.00 28.81 O ATOM 1204 CB LEU A 155 1.797 -9.614 8.831 1.00 22.81 C ATOM 1205 CG LEU A 155 1.992 -8.420 9.772 1.00 27.56 C ATOM 1206 CD1 LEU A 155 0.836 -8.287 10.782 1.00 29.18 C ATOM 1207 CD2 LEU A 155 3.331 -8.581 10.504 1.00 34.26 C ATOM 1208 H LEU A 155 1.396 -10.913 6.511 1.00 0.00 H ATOM 1209 N THR A 156 -0.398 -7.412 7.305 1.00 24.36 N ATOM 1210 CA THR A 156 -0.437 -6.137 6.592 1.00 26.32 C ATOM 1211 C THR A 156 -0.225 -5.044 7.612 1.00 25.93 C ATOM 1212 O THR A 156 -0.970 -4.951 8.597 1.00 28.43 O ATOM 1213 CB THR A 156 -1.738 -5.955 5.810 1.00 27.37 C ATOM 1214 OG1 THR A 156 -1.771 -6.938 4.770 1.00 29.54 O ATOM 1215 CG2 THR A 156 -1.775 -4.550 5.114 1.00 24.52 C ATOM 1216 HG1 THR A 156 -0.992 -6.811 4.172 1.00 0.00 H ATOM 1217 H THR A 156 -1.184 -7.676 7.933 1.00 0.00 H ATOM 1218 N LEU A 157 0.798 -4.225 7.375 1.00 23.80 N ATOM 1219 CA LEU A 157 1.143 -3.131 8.267 1.00 23.27 C ATOM 1220 C LEU A 157 0.827 -1.807 7.584 1.00 28.04 C ATOM 1221 O LEU A 157 0.958 -1.680 6.366 1.00 27.76 O ATOM 1222 CB LEU A 157 2.627 -3.188 8.623 1.00 25.61 C ATOM 1223 CG LEU A 157 3.069 -4.458 9.352 1.00 29.51 C ATOM 1224 CD1 LEU A 157 4.583 -4.459 9.585 1.00 32.13 C ATOM 1225 CD2 LEU A 157 2.274 -4.565 10.641 1.00 32.11 C ATOM 1226 H LEU A 157 1.371 -4.374 6.520 1.00 0.00 H ATOM 1227 N PHE A 158 0.467 -0.817 8.389 1.00 24.24 N ATOM 1228 CA PHE A 158 0.050 0.501 7.908 1.00 26.97 C ATOM 1229 C PHE A 158 0.836 1.507 8.727 1.00 28.54 C ATOM 1230 O PHE A 158 0.651 1.595 9.949 1.00 27.70 O ATOM 1231 CB PHE A 158 -1.459 0.697 8.062 1.00 25.06 C ATOM 1232 CG PHE A 158 -1.981 2.027 7.555 1.00 28.10 C ATOM 1233 CD1 PHE A 158 -1.768 2.433 6.241 1.00 36.92 C ATOM 1234 CD2 PHE A 158 -2.708 2.859 8.397 1.00 30.73 C ATOM 1235 CE1 PHE A 158 -2.260 3.674 5.770 1.00 33.96 C ATOM 1236 CE2 PHE A 158 -3.210 4.104 7.934 1.00 27.42 C ATOM 1237 CZ PHE A 158 -2.969 4.502 6.617 1.00 32.99 C ATOM 1238 H PHE A 158 0.482 -0.986 9.415 1.00 0.00 H ATOM 1239 N CYS A 159 1.752 2.217 8.079 1.00 21.65 N ATOM 1240 CA CYS A 159 2.652 3.127 8.778 1.00 21.54 C ATOM 1241 C CYS A 159 2.301 4.544 8.363 1.00 21.48 C ATOM 1242 O CYS A 159 2.172 4.824 7.167 1.00 25.26 O ATOM 1243 CB CYS A 159 4.106 2.810 8.440 1.00 25.80 C ATOM 1244 SG CYS A 159 5.319 4.086 8.953 1.00 36.53 S ATOM 1245 H CYS A 159 1.830 2.122 7.046 1.00 0.00 H ATOM 1246 N GLU A 160 2.110 5.422 9.335 1.00 23.82 N ATOM 1247 CA GLU A 160 1.763 6.800 9.036 1.00 21.35 C ATOM 1248 C GLU A 160 2.839 7.662 9.656 1.00 23.50 C ATOM 1249 O GLU A 160 3.193 7.448 10.826 1.00 25.13 O ATOM 1250 CB GLU A 160 0.398 7.185 9.609 1.00 27.84 C ATOM 1251 CG GLU A 160 -0.740 6.378 9.081 1.00 24.95 C ATOM 1252 CD GLU A 160 -2.019 6.571 9.898 1.00 37.82 C ATOM 1253 OE1 GLU A 160 -2.256 5.768 10.842 1.00 34.57 O ATOM 1254 OE2 GLU A 160 -2.772 7.515 9.576 1.00 37.65 O ATOM 1255 H GLU A 160 2.210 5.121 10.326 1.00 0.00 H ATOM 1256 N VAL A 161 3.382 8.597 8.874 1.00 23.11 N ATOM 1257 CA VAL A 161 4.499 9.421 9.312 1.00 21.42 C ATOM 1258 C VAL A 161 4.184 10.880 9.043 1.00 21.93 C ATOM 1259 O VAL A 161 3.714 11.238 7.952 1.00 23.18 O ATOM 1260 CB VAL A 161 5.819 9.034 8.593 1.00 21.42 C ATOM 1261 CG1 VAL A 161 7.021 9.825 9.171 1.00 22.98 C ATOM 1262 CG2 VAL A 161 6.052 7.546 8.691 1.00 27.23 C ATOM 1263 H VAL A 161 2.994 8.742 7.920 1.00 0.00 H ATOM 1264 N SER A 162 4.484 11.733 10.017 1.00 24.11 N ATOM 1265 CA SER A 162 4.441 13.176 9.806 1.00 21.54 C ATOM 1266 C SER A 162 5.825 13.739 10.093 1.00 23.82 C ATOM 1267 O SER A 162 6.287 13.683 11.236 1.00 23.25 O ATOM 1268 CB SER A 162 3.420 13.843 10.730 1.00 26.71 C ATOM 1269 OG SER A 162 2.111 13.473 10.343 1.00 30.22 O ATOM 1270 HG SER A 162 1.455 13.907 10.944 1.00 0.00 H ATOM 1271 H SER A 162 4.755 11.364 10.951 1.00 0.00 H ATOM 1272 N VAL A 163 6.452 14.324 9.086 1.00 22.10 N ATOM 1273 CA VAL A 163 7.740 14.982 9.262 1.00 28.48 C ATOM 1274 C VAL A 163 7.453 16.420 9.640 1.00 34.44 C ATOM 1275 O VAL A 163 6.740 17.124 8.907 1.00 34.27 O ATOM 1276 CB VAL A 163 8.594 14.919 7.990 1.00 33.62 C ATOM 1277 CG1 VAL A 163 9.706 15.964 8.082 1.00 34.72 C ATOM 1278 CG2 VAL A 163 9.153 13.575 7.832 1.00 34.63 C ATOM 1279 H VAL A 163 6.014 14.314 8.143 1.00 0.00 H ATOM 1280 N VAL A 164 7.997 16.850 10.782 1.00 31.75 N ATOM 1281 CA VAL A 164 7.629 18.151 11.349 1.00 41.09 C ATOM 1282 C VAL A 164 8.782 19.117 11.174 1.00 45.31 C ATOM 1283 O VAL A 164 8.573 20.194 10.630 1.00 59.91 O ATOM 1284 CB VAL A 164 7.219 18.060 12.858 1.00 49.17 C ATOM 1285 CG1 VAL A 164 6.042 17.114 13.059 1.00 51.32 C ATOM 1286 CG2 VAL A 164 8.400 17.656 13.719 1.00 50.74 C ATOM 1287 H VAL A 164 8.691 16.253 11.276 1.00 0.00 H TER 1288 VAL A 164 HETATM 1289 O HOH 1 9.263 21.522 8.912 1.00 64.91 O HETATM 1290 O HOH 2 -5.212 3.040 13.746 1.00 51.11 O HETATM 1291 O HOH 3 -10.081 0.518 14.008 1.00 60.76 O HETATM 1292 O HOH 4 11.871 -16.060 6.360 1.00 66.61 O HETATM 1293 O HOH 5 -4.549 -19.860 15.504 1.00 58.47 O HETATM 1294 O HOH 6 -7.645 -19.990 17.852 1.00 50.43 O HETATM 1295 O HOH 7 14.166 -1.012 1.022 1.00 53.96 O HETATM 1296 O HOH 8 0.013 -15.575 2.822 1.00 45.16 O HETATM 1297 O HOH 9 10.235 14.058 1.835 1.00 48.64 O HETATM 1298 O HOH 10 19.402 8.119 19.936 1.00 61.16 O HETATM 1299 O HOH 11 7.371 -3.558 0.847 1.00 55.40 O HETATM 1300 O HOH 12 -7.476 -18.613 20.932 1.00 57.27 O HETATM 1301 O HOH 13 0.154 14.866 11.228 1.00 50.11 O HETATM 1302 O HOH 14 1.547 13.848 18.562 1.00 52.12 O HETATM 1303 O HOH 15 -0.610 -18.105 9.978 1.00 49.73 O HETATM 1304 O HOH 16 1.214 -19.428 4.396 1.00 50.08 O HETATM 1305 O HOH 17 19.897 2.028 12.986 1.00 61.34 O HETATM 1306 O HOH 18 -0.373 -4.624 0.715 1.00 52.23 O HETATM 1307 O HOH 19 -4.199 -13.367 14.432 1.00 35.84 O HETATM 1308 O HOH 20 0.366 -2.992 19.018 1.00 47.78 O HETATM 1309 O HOH 21 21.072 18.569 11.390 1.00 67.75 O HETATM 1310 O HOH 22 -6.133 2.576 6.902 1.00 45.93 O HETATM 1311 O HOH 23 -0.944 3.470 11.539 1.00 24.30 O HETATM 1312 O HOH 24 -2.779 -8.216 8.915 1.00 29.06 O HETATM 1313 O HOH 25 -4.736 6.008 12.124 1.00 58.41 O HETATM 1314 O HOH 26 10.116 16.410 3.488 1.00 59.22 O HETATM 1315 O HOH 27 -3.710 -16.977 10.041 1.00 62.53 O HETATM 1316 O HOH 28 -1.211 9.861 4.275 1.00 25.12 O HETATM 1317 O HOH 29 10.833 16.253 19.059 1.00 44.89 O HETATM 1318 O HOH 30 16.282 17.043 3.772 1.00 56.79 O HETATM 1319 O HOH 31 7.082 -16.138 11.675 1.00 51.50 O HETATM 1320 O HOH 32 3.412 -5.476 0.330 1.00 32.51 O HETATM 1321 O HOH 33 -9.821 1.153 10.331 1.00 54.39 O HETATM 1322 O HOH 34 -3.228 8.067 6.696 1.00 26.40 O HETATM 1323 O HOH 35 -5.374 -7.451 6.447 1.00 45.64 O HETATM 1324 O HOH 36 4.468 -14.448 22.097 1.00 49.57 O HETATM 1325 O HOH 37 11.389 7.367 23.984 1.00 57.44 O HETATM 1326 O HOH 38 4.323 5.254 22.588 1.00 54.23 O HETATM 1327 O HOH 39 -3.217 -9.168 5.866 1.00 29.96 O HETATM 1328 O HOH 40 10.276 0.732 -3.621 1.00 36.76 O HETATM 1329 O HOH 41 -8.692 -10.070 19.356 1.00 52.17 O HETATM 1330 O HOH 42 7.151 16.573 18.763 1.00 49.85 O HETATM 1331 O HOH 43 10.029 9.935 -4.201 1.00 52.49 O HETATM 1332 O HOH 44 20.010 10.608 -0.116 1.00 50.27 O HETATM 1333 O HOH 45 13.939 11.025 -5.538 1.00 53.24 O HETATM 1334 O HOH 46 16.829 2.009 -1.043 1.00 55.61 O HETATM 1335 O HOH 47 0.630 -7.995 22.409 1.00 47.58 O HETATM 1336 O HOH 48 22.405 11.927 8.313 1.00 41.02 O HETATM 1337 O HOH 49 8.347 22.929 11.433 1.00 69.67 O HETATM 1338 O HOH 50 24.226 9.197 9.813 1.00 55.51 O HETATM 1339 O HOH 51 -0.497 -18.599 18.826 1.00 46.76 O HETATM 1340 O HOH 52 13.438 -11.506 14.561 1.00 59.47 O HETATM 1341 O HOH 53 19.092 11.049 15.739 1.00 58.57 O HETATM 1342 O HOH 54 14.799 10.988 22.286 1.00 61.34 O HETATM 1343 O HOH 55 -5.287 4.698 17.424 1.00 60.47 O HETATM 1344 O HOH 56 9.947 -1.882 -4.205 1.00 53.50 O HETATM 1345 O HOH 57 -5.457 -14.471 11.598 1.00 51.13 O HETATM 1346 O HOH 58 1.225 10.813 11.116 1.00 43.55 O HETATM 1347 O HOH 59 0.175 19.673 5.881 1.00 65.85 O HETATM 1348 O HOH 60 6.048 -10.868 1.409 1.00 39.85 O HETATM 1349 O HOH 61 17.231 8.911 -3.380 1.00 68.53 O HETATM 1350 O HOH 62 18.087 -3.338 13.282 1.00 63.16 O HETATM 1351 O HOH 63 -0.133 -10.046 -0.430 1.00 46.58 O HETATM 1352 O HOH 64 -5.380 0.393 17.976 1.00 51.11 O HETATM 1353 O HOH 65 2.791 19.523 3.378 1.00 55.98 O HETATM 1354 O HOH 66 7.926 -1.430 22.666 1.00 41.10 O HETATM 1355 O HOH 67 -7.352 -8.767 17.385 1.00 41.29 O HETATM 1356 O HOH 68 6.802 7.677 22.355 1.00 30.78 O HETATM 1357 O HOH 69 20.886 3.877 4.246 1.00 61.68 O HETATM 1358 O HOH 70 -7.959 5.008 12.954 1.00 61.07 O HETATM 1359 O HOH 71 1.677 16.571 14.512 1.00 66.88 O HETATM 1360 O HOH 72 -7.462 -16.575 7.258 1.00 55.20 O HETATM 1361 O HOH 73 0.887 4.052 21.525 1.00 51.50 O HETATM 1362 O HOH 74 -6.278 -2.176 19.351 1.00 54.75 O HETATM 1363 O HOH 75 -3.728 8.822 16.350 1.00 56.79 O HETATM 1364 O HOH 76 -3.575 -7.873 23.814 1.00 64.50 O HETATM 1365 O HOH 77 -6.132 6.629 9.398 1.00 66.43 O HETATM 1366 O HOH 78 6.533 18.418 16.647 1.00 63.72 O HETATM 1367 O HOH 79 8.937 10.883 24.939 1.00 52.65 O HETATM 1368 O HOH 80 15.963 -4.004 13.880 1.00 61.85 O HETATM 1369 O HOH 81 14.591 12.113 19.677 1.00 28.68 O HETATM 1370 O HOH 82 16.780 11.893 -1.467 1.00 66.28 O HETATM 1371 O HOH 83 -7.338 -8.227 5.022 1.00 63.34 O HETATM 1372 O HOH 84 -15.223 -1.709 8.607 1.00 68.71 O HETATM 1373 O HOH 85 -9.651 -2.497 17.098 1.00 62.22 O HETATM 1374 O HOH 86 -9.451 -6.905 15.368 1.00 58.95 O HETATM 1375 O HOH 87 15.754 19.503 14.041 1.00 64.62 O HETATM 1376 O HOH 88 1.701 8.451 22.249 1.00 58.25 O HETATM 1377 O HOH 89 22.456 6.449 12.740 1.00 64.03 O HETATM 1378 O HOH 90 22.511 14.817 8.080 1.00 64.53 O HETATM 1379 O HOH 91 5.495 24.123 8.490 1.00 64.81 O HETATM 1380 O HOH 92 -2.247 -19.560 4.486 1.00 72.17 O HETATM 1381 O HOH 93 -3.588 4.564 20.263 1.00 64.43 O HETATM 1382 O HOH 94 9.406 20.202 6.762 1.00 66.72 O HETATM 1383 O HOH 95 20.581 6.586 0.083 1.00 57.12 O HETATM 1384 O HOH 96 -5.833 7.830 11.570 1.00 66.36 O HETATM 1385 O HOH 97 -3.688 -2.697 21.843 1.00 61.46 O HETATM 1386 O HOH 98 8.542 -16.175 4.596 1.00 64.51 O HETATM 1387 O HOH 99 -12.725 -1.461 14.900 1.00 73.44 O HETATM 1388 O HOH 100 22.209 4.704 1.209 1.00 68.10 O HETATM 1389 O HOH 101 2.358 23.297 5.764 1.00 67.14 O HETATM 1390 O HOH 102 8.705 -14.093 5.488 1.00 47.34 O HETATM 1391 O HOH 103 1.513 10.267 14.212 1.00 57.14 O HETATM 1392 O HOH 104 -2.992 9.497 13.168 1.00 60.89 O HETATM 1393 O HOH 105 -4.264 -9.782 3.161 1.00 53.17 O HETATM 1394 O HOH 106 -8.670 -0.763 18.179 1.00 69.79 O HETATM 1395 O HOH 107 -6.167 2.208 15.824 1.00 58.03 O HETATM 1396 O HOH 108 18.030 6.495 -0.613 1.00 57.49 O HETATM 1397 O HOH 109 0.365 -22.834 7.322 1.00 57.90 O HETATM 1398 O HOH 110 -0.105 10.973 12.893 1.00 56.58 O HETATM 1399 O HOH 111 14.160 8.267 24.045 1.00 63.39 O HETATM 1400 O HOH 112 -8.141 -8.501 21.241 1.00 62.45 O HETATM 1401 O HOH 113 -10.708 -13.365 10.787 1.00 61.45 O HETATM 1402 O HOH 114 15.386 -1.251 5.091 1.00 42.45 O HETATM 1403 O HOH 115 -6.361 -5.102 3.941 1.00 67.26 O HETATM 1404 O HOH 116 -9.663 -4.582 2.692 1.00 66.48 O HETATM 1405 O HOH 117 3.409 19.736 14.437 1.00 61.46 O HETATM 1406 O HOH 118 17.400 -0.381 4.052 1.00 61.77 O HETATM 1407 O HOH 119 -16.538 -2.013 16.402 1.00 72.81 O HETATM 1408 O HOH 120 17.092 -16.627 24.150 1.00 67.05 O HETATM 1409 O HOH 121 24.675 14.658 12.521 1.00 66.15 O HETATM 1410 O HOH 122 18.919 3.458 14.421 1.00 63.64 O HETATM 1411 O HOH 123 20.518 4.701 21.825 1.00 55.09 O HETATM 1412 O HOH 124 16.148 -0.208 21.537 1.00 63.35 O HETATM 1413 O HOH 125 9.666 0.744 22.807 1.00 49.83 O HETATM 1414 O HOH 126 4.238 2.928 23.341 1.00 64.45 O HETATM 1415 O HOH 127 15.810 3.526 22.934 1.00 48.26 O HETATM 1416 O HOH 128 22.071 8.710 15.706 1.00 70.53 O HETATM 1417 O HOH 129 23.696 11.603 16.091 1.00 70.85 O HETATM 1418 O HOH 130 3.323 6.411 28.063 1.00 65.04 O HETATM 1419 O HOH 131 15.933 6.273 23.748 1.00 61.68 O HETATM 1420 O HOH 132 18.265 7.657 22.658 1.00 66.74 O HETATM 1421 N LYS A 133 6.276 4.317 24.805 1.00 0.24 N HETATM 1422 CA LYS A 133 7.574 4.942 24.574 1.00 0.06 C HETATM 1423 C LYS A 133 8.337 4.220 23.449 1.00 0.23 C HETATM 1424 O LYS A 133 8.618 3.019 23.556 1.00 -0.39 O HETATM 1425 N LYS A 133 8.644 4.953 22.376 1.00 -0.26 N HETATM 1426 CA LYS A 133 9.424 4.411 21.271 1.00 0.13 C HETATM 1427 C LYS A 133 10.850 4.179 21.723 1.00 0.20 C HETATM 1428 O LYS A 133 11.331 4.827 22.656 1.00 -0.39 O HETATM 1429 N LYS A 133 11.527 3.243 21.056 1.00 -0.26 N HETATM 1430 CA LYS A 133 12.938 2.989 21.300 1.00 0.14 C HETATM 1431 C LYS A 133 13.714 2.953 19.990 1.00 0.21 C HETATM 1432 O LYS A 133 13.148 2.853 18.900 1.00 -0.39 O HETATM 1433 N LYS A 133 15.037 3.038 20.116 1.00 -0.26 N HETATM 1434 CA LYS A 133 15.952 2.987 18.987 1.00 0.16 C HETATM 1435 C LYS A 133 16.999 1.914 19.236 1.00 0.21 C HETATM 1436 O LYS A 133 17.283 1.560 20.385 1.00 -0.39 O HETATM 1437 N LYS A 133 17.535 1.373 18.145 1.00 -0.26 N HETATM 1438 CA LYS A 133 18.594 0.373 18.182 1.00 0.16 C HETATM 1439 C LYS A 133 19.929 0.995 17.779 1.00 0.21 C HETATM 1440 O LYS A 133 20.685 0.409 17.002 1.00 -0.39 O HETATM 1441 N LYS A 133 20.235 2.199 18.304 1.00 -0.26 N HETATM 1442 CA LYS A 133 21.319 3.035 17.779 1.00 0.16 C HETATM 1443 C LYS A 133 21.699 4.150 18.751 1.00 0.21 C HETATM 1444 O LYS A 133 20.849 4.631 19.507 1.00 -0.39 O HETATM 1445 N LYS A 133 22.971 4.587 18.778 1.00 -0.26 N HETATM 1446 CA LYS A 133 23.290 5.873 19.409 1.00 0.10 C HETATM 1447 C LYS A 133 22.834 7.061 18.550 1.00 0.06 C HETATM 1448 O LYS A 133 22.367 8.077 19.073 1.00 -0.57 O HETATM 1449 OXT LYS A 133 22.925 7.023 17.320 1.00 -0.57 O HETATM 1450 CB LYS A 133 24.815 5.837 19.523 1.00 -0.02 C HETATM 1451 CG LYS A 133 25.247 4.899 18.442 1.00 -0.03 C HETATM 1452 CD LYS A 133 24.183 3.846 18.389 1.00 0.04 C HETATM 1453 H45 LYS A 133 24.086 3.432 17.375 1.00 0.05 H HETATM 1454 H46 LYS A 133 24.395 3.033 19.099 1.00 0.05 H HETATM 1455 H43 LYS A 133 26.221 4.451 18.686 1.00 0.03 H HETATM 1456 H44 LYS A 133 25.317 5.426 17.479 1.00 0.03 H HETATM 1457 H41 LYS A 133 25.123 5.461 20.510 1.00 0.03 H HETATM 1458 H42 LYS A 133 25.241 6.838 19.363 1.00 0.03 H HETATM 1459 H40 LYS A 133 22.823 5.945 20.403 1.00 0.07 H HETATM 1460 CB LYS A 133 20.884 3.648 16.441 1.00 0.09 C HETATM 1461 OG1 LYS A 133 20.740 2.619 15.452 1.00 -0.39 O HETATM 1462 H36 LYS A 133 20.471 3.008 14.628 1.00 0.21 H HETATM 1463 CG2 LYS A 133 21.843 4.712 15.923 1.00 -0.03 C HETATM 1464 H37 LYS A 133 21.471 5.106 14.966 1.00 0.03 H HETATM 1465 H38 LYS A 133 22.838 4.268 15.775 1.00 0.03 H HETATM 1466 H39 LYS A 133 21.912 5.531 16.654 1.00 0.03 H HETATM 1467 H35 LYS A 133 19.904 4.124 16.595 1.00 0.06 H HETATM 1468 H34 LYS A 133 22.202 2.400 17.613 1.00 0.08 H HETATM 1469 H33 LYS A 133 19.702 2.534 19.081 1.00 0.19 H HETATM 1470 CB LYS A 133 18.283 -0.812 17.261 1.00 0.09 C HETATM 1471 OG1 LYS A 133 18.613 -0.465 15.911 1.00 -0.39 O HETATM 1472 H29 LYS A 133 18.099 0.288 15.644 1.00 0.21 H HETATM 1473 CG2 LYS A 133 16.809 -1.219 17.319 1.00 -0.03 C HETATM 1474 H30 LYS A 133 16.637 -2.070 16.644 1.00 0.03 H HETATM 1475 H31 LYS A 133 16.182 -0.371 17.007 1.00 0.03 H HETATM 1476 H32 LYS A 133 16.549 -1.509 18.348 1.00 0.03 H HETATM 1477 H28 LYS A 133 18.897 -1.669 17.575 1.00 0.06 H HETATM 1478 H27 LYS A 133 18.678 -0.001 19.213 1.00 0.08 H HETATM 1479 H26 LYS A 133 17.193 1.668 17.253 1.00 0.19 H HETATM 1480 CB LYS A 133 16.643 4.327 18.739 1.00 0.09 C HETATM 1481 OG1 LYS A 133 17.598 4.174 17.684 1.00 -0.39 O HETATM 1482 H22 LYS A 133 17.152 3.893 16.893 1.00 0.21 H HETATM 1483 CG2 LYS A 133 17.341 4.814 20.006 1.00 -0.03 C HETATM 1484 H23 LYS A 133 17.831 5.778 19.807 1.00 0.03 H HETATM 1485 H24 LYS A 133 18.096 4.076 20.316 1.00 0.03 H HETATM 1486 H25 LYS A 133 16.599 4.939 20.808 1.00 0.03 H HETATM 1487 H21 LYS A 133 15.889 5.070 18.439 1.00 0.06 H HETATM 1488 H20 LYS A 133 15.377 2.723 18.087 1.00 0.08 H HETATM 1489 H19 LYS A 133 15.421 3.142 21.034 1.00 0.19 H HETATM 1490 CB LYS A 133 13.158 1.670 22.049 1.00 0.04 C HETATM 1491 CG LYS A 133 12.788 0.452 21.211 1.00 0.04 C HETATM 1492 OD1 LYS A 133 11.577 0.139 21.172 1.00 -0.57 O HETATM 1493 OD2 LYS A 133 13.699 -0.180 20.608 1.00 -0.57 O HETATM 1494 H17 LYS A 133 12.539 1.673 22.958 1.00 0.05 H HETATM 1495 H18 LYS A 133 14.219 1.596 22.328 1.00 0.05 H HETATM 1496 H16 LYS A 133 13.331 3.809 21.919 1.00 0.08 H HETATM 1497 H15 LYS A 133 11.049 2.699 20.366 1.00 0.19 H HETATM 1498 CB LYS A 133 9.437 5.371 20.077 1.00 -0.02 C HETATM 1499 H12 LYS A 133 10.032 4.934 19.262 1.00 0.03 H HETATM 1500 H13 LYS A 133 9.881 6.330 20.382 1.00 0.03 H HETATM 1501 H14 LYS A 133 8.407 5.538 19.730 1.00 0.03 H HETATM 1502 H11 LYS A 133 8.980 3.455 20.958 1.00 0.08 H HETATM 1503 H10 LYS A 133 8.330 5.901 22.329 1.00 0.19 H HETATM 1504 CB LYS A 133 8.389 4.927 25.862 1.00 0.01 C HETATM 1505 CG LYS A 133 9.613 5.784 25.850 1.00 -0.06 C HETATM 1506 H7 LYS A 133 10.127 5.703 26.819 1.00 0.02 H HETATM 1507 H8 LYS A 133 9.326 6.831 25.673 1.00 0.02 H HETATM 1508 H9 LYS A 133 10.288 5.449 25.049 1.00 0.02 H HETATM 1509 H5 LYS A 133 8.701 3.890 26.055 1.00 0.03 H HETATM 1510 H6 LYS A 133 7.740 5.273 26.680 1.00 0.03 H HETATM 1511 H4 LYS A 133 7.412 5.987 24.271 1.00 0.11 H HETATM 1512 H1 LYS A 133 5.795 4.805 25.544 1.00 0.20 H HETATM 1513 H2 LYS A 133 6.409 3.354 25.070 1.00 0.20 H HETATM 1514 H3 LYS A 133 5.727 4.361 23.961 1.00 0.20 H CONECT 1421 1422 1512 1513 1514 CONECT 1422 1421 1423 1504 1511 CONECT 1423 1422 1424 1425 CONECT 1424 1423 CONECT 1425 1423 1426 1503 CONECT 1426 1425 1427 1498 1502 CONECT 1427 1426 1428 1429 CONECT 1428 1427 CONECT 1429 1427 1430 1497 CONECT 1430 1429 1431 1490 1496 CONECT 1431 1430 1432 1433 CONECT 1432 1431 CONECT 1433 1431 1434 1489 CONECT 1434 1433 1435 1480 1488 CONECT 1435 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 1438 1479 CONECT 1438 1437 1439 1470 1478 CONECT 1439 1438 1440 1441 CONECT 1440 1439 CONECT 1441 1439 1442 1469 CONECT 1442 1441 1443 1460 1468 CONECT 1443 1442 1444 1445 CONECT 1444 1443 CONECT 1445 1443 1446 1452 CONECT 1446 1445 1447 1450 1459 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 CONECT 1450 1446 1451 1457 1458 CONECT 1451 1450 1452 1455 1456 CONECT 1452 1445 1451 1453 1454 CONECT 1453 1452 CONECT 1454 1452 CONECT 1455 1451 CONECT 1456 1451 CONECT 1457 1450 CONECT 1458 1450 CONECT 1459 1446 CONECT 1460 1442 1461 1463 1467 CONECT 1461 1460 1462 CONECT 1462 1461 CONECT 1463 1460 1464 1465 1466 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1463 CONECT 1467 1460 CONECT 1468 1442 CONECT 1469 1441 CONECT 1470 1438 1471 1473 1477 CONECT 1471 1470 1472 CONECT 1472 1471 CONECT 1473 1470 1474 1475 1476 CONECT 1474 1473 CONECT 1475 1473 CONECT 1476 1473 CONECT 1477 1470 CONECT 1478 1438 CONECT 1479 1437 CONECT 1480 1434 1481 1483 1487 CONECT 1481 1480 1482 CONECT 1482 1481 CONECT 1483 1480 1484 1485 1486 CONECT 1484 1483 CONECT 1485 1483 CONECT 1486 1483 CONECT 1487 1480 CONECT 1488 1434 CONECT 1489 1433 CONECT 1490 1430 1491 1494 1495 CONECT 1491 1490 1492 1493 CONECT 1492 1491 CONECT 1493 1491 CONECT 1494 1490 CONECT 1495 1490 CONECT 1496 1430 CONECT 1497 1429 CONECT 1498 1426 1499 1500 1501 CONECT 1499 1498 CONECT 1500 1498 CONECT 1501 1498 CONECT 1502 1426 CONECT 1503 1425 CONECT 1504 1422 1505 1509 1510 CONECT 1505 1504 1506 1507 1508 CONECT 1506 1505 CONECT 1507 1505 CONECT 1508 1505 CONECT 1509 1504 CONECT 1510 1504 CONECT 1511 1422 CONECT 1512 1421 CONECT 1513 1421 CONECT 1514 1421 MASTER 0 0 0 0 0 0 0 0 1513 1 94 11 END
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Related entries of code: 6i5p
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
145aa, >3IVV_1|Chain... at 99%
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145aa, >6I41_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
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9-mer
1f90
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PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
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1gux
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PDBbind
9-mer
1gwq
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PDBbind
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9-mer
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RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
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PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
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PDBbind
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1zea
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PDBbind
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PDBbind
9-mer
2bgr
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PDBbind
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2e7l
RCSB PDB
PDBbind
9-mer
2gv2
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PDBbind
9-mer
2h6q
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PDBbind
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2hkf
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PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
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PDBbind
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PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
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2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
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2ms4
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PDBbind
9-mer
2oei
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PDBbind
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RCSB PDB
PDBbind
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2q8y
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PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
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PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
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PDBbind
9-mer
3bgm
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3bze
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PDBbind
9-mer
3bzf
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9-mer
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RCSB PDB
PDBbind
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3cii
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PDBbind
9-mer
3ery
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PDBbind
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3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
9-mer
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PDBbind
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PDBbind
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3lqi
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PDBbind
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3lqj
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PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
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3mxy
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PDBbind
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3o4l
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PDBbind
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PDBbind
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3obu
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PDBbind
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3obx
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PDBbind
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PDBbind
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PDBbind
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3rwe
RCSB PDB
PDBbind
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PDBbind
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3rwg
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9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
6i5p
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SPOP(E47K)
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Kd=48uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Mol.Biol. Vol. 431: pp. 2213-2221
Ligand Properties
Formula
C
2
8
H
4
8
N
7
O
1
3
Molecular Weight
690.720
Exact Mass
690.331
No. of atoms
96
No. of bonds
96
Polar Surface Area
328.74
LOGP Value
-4.08 (
Computed with XLOGP3
)
-3.96 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 25
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 1
Canonical SMILES
CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@H](O)C)[C@H](O)C)[C@H](O)C)CC(=O)O)C)[NH3+]
InChI String
InChI=1S/C28H47N7O13/c1-6-15(29)23(42)30-11(2)22(41)31-16(10-18(39)40)24(43)32-19(12(3)36)25(44)33-20(13(4)37)26(45)34-21(14(5)38)27(46)35-9-7-8-17(35)28(47)48/h11-17,19-21,36-38H,6-10,29H2,1-5H3,(H,30,42)(H,31,41)(H,32,43)(H,33,44)(H,34,45)(H,39,40)(H,47,48)/p+1/t11-,12+,13+,14+,15-,16-,17-,19-,20-,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q15059
O43791
Entrez Gene ID
NCBI Entrez Gene ID:
8019
8405
ASD
Information of known allosteric effects of PDB entries
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