Browse entries in the PDBbind-CN Database
HEADER 2FUU_COMPLEX COMPND 2FUU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 62 GLY PRO LEU GLY SER ASP THR LYS LEU TYR CYS ILE CYS SEQRES 2 A 62 LYS THR PRO TYR ASP GLU SER LYS PHE TYR ILE GLY CYS SEQRES 3 A 62 ASP ARG CYS GLN ASN TRP TYR HIS GLY ARG CYS VAL GLY SEQRES 4 A 62 ILE LEU GLN SER GLU ALA GLU LEU ILE ASP GLU TYR VAL SEQRES 5 A 62 CYS PRO GLN CYS GLN SER THR GLU ASP ALA HET ZN A 1 1 HET ZN A 2 1 HET ALA A 65 240 SSBOND 1 CYS A 11 CYS A 13 SSBOND 2 CYS A 26 CYS A 29 SSBOND 3 CYS A 13 CYS A 37 SSBOND 4 CYS A 29 CYS A 53 SSBOND 5 CYS A 53 CYS A 56 ATOM 1 N GLY A 1 4.295 22.160 -34.018 1.00 0.00 N ATOM 2 CA GLY A 1 3.822 23.504 -33.580 1.00 0.00 C ATOM 3 C GLY A 1 4.400 23.822 -32.205 1.00 0.00 C ATOM 4 O GLY A 1 5.211 23.066 -31.672 1.00 0.00 O ATOM 5 HA3 GLY A 1 2.733 23.507 -33.527 1.00 0.00 H ATOM 6 HA2 GLY A 1 4.151 24.257 -34.296 1.00 0.00 H ATOM 7 HN3 GLY A 1 3.980 21.443 -33.334 1.00 0.00 H ATOM 8 HN2 GLY A 1 5.334 22.159 -34.069 1.00 0.00 H ATOM 9 HN1 GLY A 1 3.901 21.944 -34.956 1.00 0.00 H ATOM 10 N PRO A 2 3.998 24.924 -31.628 1.00 0.00 N ATOM 11 CA PRO A 2 4.485 25.352 -30.284 1.00 0.00 C ATOM 12 C PRO A 2 4.269 24.269 -29.227 1.00 0.00 C ATOM 13 O PRO A 2 3.195 23.677 -29.145 1.00 0.00 O ATOM 14 CB PRO A 2 3.651 26.602 -29.968 1.00 0.00 C ATOM 15 CG PRO A 2 3.171 27.106 -31.291 1.00 0.00 C ATOM 16 CD PRO A 2 3.038 25.882 -32.196 1.00 0.00 C ATOM 17 HA PRO A 2 5.558 25.544 -30.280 1.00 0.00 H ATOM 18 HD3 PRO A 2 2.024 25.483 -32.164 1.00 0.00 H ATOM 19 HD2 PRO A 2 3.297 26.129 -33.225 1.00 0.00 H ATOM 20 HG3 PRO A 2 3.890 27.809 -31.711 1.00 0.00 H ATOM 21 HG2 PRO A 2 2.205 27.599 -31.179 1.00 0.00 H ATOM 22 HB2 PRO A 2 2.806 26.345 -29.328 1.00 0.00 H ATOM 23 HB3 PRO A 2 4.265 27.355 -29.473 1.00 0.00 H ATOM 24 N LEU A 3 5.300 24.021 -28.423 1.00 0.00 N ATOM 25 CA LEU A 3 5.217 23.009 -27.372 1.00 0.00 C ATOM 26 C LEU A 3 5.217 23.666 -25.996 1.00 0.00 C ATOM 27 O LEU A 3 5.960 24.618 -25.754 1.00 0.00 O ATOM 28 CB LEU A 3 6.406 22.052 -27.479 1.00 0.00 C ATOM 29 CG LEU A 3 6.500 21.501 -28.906 1.00 0.00 C ATOM 30 CD1 LEU A 3 7.655 20.501 -28.988 1.00 0.00 C ATOM 31 CD2 LEU A 3 5.189 20.798 -29.277 1.00 0.00 C ATOM 32 HA LEU A 3 4.287 22.454 -27.498 1.00 0.00 H ATOM 33 HB2 LEU A 3 7.324 22.586 -27.236 1.00 0.00 H ATOM 34 HB3 LEU A 3 6.271 21.227 -26.780 1.00 0.00 H ATOM 35 HG LEU A 3 6.676 22.323 -29.600 1.00 0.00 H ATOM 36 HD21 LEU A 3 5.010 19.977 -28.583 1.00 0.00 H ATOM 37 HD22 LEU A 3 4.367 21.511 -29.218 1.00 0.00 H ATOM 38 HD23 LEU A 3 5.262 20.408 -30.292 1.00 0.00 H ATOM 39 HD11 LEU A 3 8.587 21.002 -28.728 1.00 0.00 H ATOM 40 HD12 LEU A 3 7.475 19.682 -28.292 1.00 0.00 H ATOM 41 HD13 LEU A 3 7.723 20.108 -30.003 1.00 0.00 H ATOM 42 H LEU A 3 6.182 24.558 -28.545 1.00 0.00 H ATOM 43 N GLY A 4 4.385 23.152 -25.094 1.00 50.00 N ATOM 44 CA GLY A 4 4.306 23.699 -23.743 1.00 50.00 C ATOM 45 C GLY A 4 5.210 22.922 -22.793 1.00 50.00 C ATOM 46 O GLY A 4 6.325 23.348 -22.494 1.00 50.00 O ATOM 47 HA3 GLY A 4 3.277 23.635 -23.390 1.00 0.00 H ATOM 48 HA2 GLY A 4 4.618 24.743 -23.761 1.00 0.00 H ATOM 49 H GLY A 4 3.781 22.347 -25.356 1.00 0.00 H ATOM 50 N SER A 5 4.723 21.775 -22.325 1.00 50.00 N ATOM 51 CA SER A 5 5.496 20.936 -21.410 1.00 50.00 C ATOM 52 C SER A 5 5.524 19.494 -21.906 1.00 50.00 C ATOM 53 O SER A 5 4.541 19.000 -22.458 1.00 50.00 O ATOM 54 CB SER A 5 4.879 20.984 -20.013 1.00 50.00 C ATOM 55 OG SER A 5 4.844 22.332 -19.560 1.00 50.00 O ATOM 56 HA SER A 5 6.517 21.316 -21.369 1.00 0.00 H ATOM 57 HB2 SER A 5 5.480 20.385 -19.329 1.00 0.00 H ATOM 58 HB3 SER A 5 3.865 20.585 -20.049 1.00 0.00 H ATOM 59 HG SER A 5 4.444 22.364 -18.655 1.00 0.00 H ATOM 60 H SER A 5 3.773 21.469 -22.616 1.00 0.00 H ATOM 61 N ASP A 6 6.652 18.820 -21.700 1.00 50.00 N ATOM 62 CA ASP A 6 6.786 17.431 -22.127 1.00 50.00 C ATOM 63 C ASP A 6 6.319 16.486 -21.023 1.00 50.00 C ATOM 64 O ASP A 6 6.968 16.362 -19.985 1.00 50.00 O ATOM 65 CB ASP A 6 8.246 17.130 -22.474 1.00 50.00 C ATOM 66 CG ASP A 6 8.370 15.713 -23.024 1.00 50.00 C ATOM 67 OD1 ASP A 6 8.150 15.539 -24.212 1.00 50.00 O ATOM 68 OD2 ASP A 6 8.683 14.824 -22.250 1.00 50.00 O ATOM 69 HA ASP A 6 6.164 17.279 -23.009 1.00 0.00 H ATOM 70 HB2 ASP A 6 8.593 17.840 -23.224 1.00 0.00 H ATOM 71 HB3 ASP A 6 8.857 17.224 -21.577 1.00 0.00 H ATOM 72 H ASP A 6 7.450 19.290 -21.228 1.00 0.00 H ATOM 73 N THR A 7 5.189 15.822 -21.258 1.00 50.00 N ATOM 74 CA THR A 7 4.640 14.889 -20.276 1.00 50.00 C ATOM 75 C THR A 7 4.297 13.557 -20.932 1.00 50.00 C ATOM 76 O THR A 7 4.259 13.446 -22.157 1.00 50.00 O ATOM 77 CB THR A 7 3.382 15.474 -19.632 1.00 50.00 C ATOM 78 OG1 THR A 7 2.336 15.518 -20.593 1.00 50.00 O ATOM 79 CG2 THR A 7 3.673 16.887 -19.124 1.00 50.00 C ATOM 80 HA THR A 7 5.397 14.724 -19.509 1.00 0.00 H ATOM 81 HB THR A 7 3.079 14.847 -18.794 1.00 0.00 H ATOM 82 HG1 THR A 7 1.522 15.897 -20.176 1.00 0.00 H ATOM 83 HG23 THR A 7 4.476 16.849 -18.387 1.00 0.00 H ATOM 84 HG21 THR A 7 3.975 17.517 -19.960 1.00 0.00 H ATOM 85 HG22 THR A 7 2.775 17.298 -18.664 1.00 0.00 H ATOM 86 H THR A 7 4.688 15.970 -22.157 1.00 0.00 H ATOM 87 N LYS A 8 4.044 12.551 -20.102 1.00 25.00 N ATOM 88 CA LYS A 8 3.697 11.222 -20.596 1.00 25.00 C ATOM 89 C LYS A 8 2.429 10.718 -19.919 1.00 25.00 C ATOM 90 O LYS A 8 1.858 11.392 -19.061 1.00 25.00 O ATOM 91 CB LYS A 8 4.842 10.242 -20.326 1.00 50.00 C ATOM 92 CG LYS A 8 5.464 10.546 -18.957 1.00 50.00 C ATOM 93 CD LYS A 8 6.124 9.282 -18.392 1.00 50.00 C ATOM 94 CE LYS A 8 5.079 8.449 -17.647 1.00 50.00 C ATOM 95 NZ LYS A 8 5.723 7.223 -17.093 1.00 50.00 N ATOM 96 HA LYS A 8 3.526 11.290 -21.670 1.00 0.00 H ATOM 97 HB2 LYS A 8 4.457 9.222 -20.332 1.00 0.00 H ATOM 98 HB3 LYS A 8 5.601 10.347 -21.101 1.00 0.00 H ATOM 99 HG2 LYS A 8 6.215 11.328 -19.066 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.686 10.884 -18.273 1.00 0.00 H ATOM 101 HD2 LYS A 8 6.542 8.694 -19.209 1.00 0.00 H ATOM 102 HD3 LYS A 8 6.921 9.565 -17.704 1.00 0.00 H ATOM 103 HE2 LYS A 8 4.284 8.163 -18.336 1.00 0.00 H ATOM 104 HE3 LYS A 8 4.658 9.038 -16.832 1.00 0.00 H ATOM 105 HZ1 LYS A 8 6.124 6.662 -17.871 1.00 0.00 H ATOM 106 HZ2 LYS A 8 6.481 7.498 -16.436 1.00 0.00 H ATOM 107 HZ3 LYS A 8 5.012 6.658 -16.587 1.00 0.00 H ATOM 108 H LYS A 8 4.094 12.714 -19.076 1.00 0.00 H ATOM 109 N LEU A 9 1.998 9.525 -20.313 1.00 16.66 N ATOM 110 CA LEU A 9 0.796 8.918 -19.748 1.00 16.66 C ATOM 111 C LEU A 9 1.118 7.555 -19.130 1.00 16.66 C ATOM 112 O LEU A 9 2.283 7.166 -19.046 1.00 16.66 O ATOM 113 CB LEU A 9 -0.303 8.810 -20.821 1.00 25.00 C ATOM 114 CG LEU A 9 0.039 7.752 -21.884 1.00 25.00 C ATOM 115 CD1 LEU A 9 1.507 7.868 -22.309 1.00 50.00 C ATOM 116 CD2 LEU A 9 -0.222 6.350 -21.328 1.00 50.00 C ATOM 117 HA LEU A 9 0.421 9.558 -18.949 1.00 0.00 H ATOM 118 HB2 LEU A 9 -1.241 8.536 -20.339 1.00 0.00 H ATOM 119 HB3 LEU A 9 -0.416 9.778 -21.310 1.00 0.00 H ATOM 120 HG LEU A 9 -0.594 7.923 -22.755 1.00 0.00 H ATOM 121 HD21 LEU A 9 0.399 6.189 -20.447 1.00 0.00 H ATOM 122 HD22 LEU A 9 -1.273 6.259 -21.055 1.00 0.00 H ATOM 123 HD23 LEU A 9 0.023 5.608 -22.088 1.00 0.00 H ATOM 124 HD11 LEU A 9 1.686 8.859 -22.726 1.00 0.00 H ATOM 125 HD12 LEU A 9 2.148 7.717 -21.441 1.00 0.00 H ATOM 126 HD13 LEU A 9 1.727 7.110 -23.061 1.00 0.00 H ATOM 127 H LEU A 9 2.530 9.010 -21.043 1.00 0.00 H ATOM 128 N TYR A 10 0.087 6.850 -18.666 1.00 25.00 N ATOM 129 CA TYR A 10 0.263 5.556 -18.019 1.00 25.00 C ATOM 130 C TYR A 10 0.760 4.468 -18.983 1.00 25.00 C ATOM 131 O TYR A 10 1.919 4.473 -19.395 1.00 25.00 O ATOM 132 CB TYR A 10 -1.085 5.176 -17.416 1.00 25.00 C ATOM 133 CG TYR A 10 -1.656 6.399 -16.719 1.00 25.00 C ATOM 134 CD1 TYR A 10 -0.869 7.135 -15.818 1.00 25.00 C ATOM 135 CD2 TYR A 10 -2.970 6.797 -16.968 1.00 25.00 C ATOM 136 CE1 TYR A 10 -1.395 8.254 -15.174 1.00 25.00 C ATOM 137 CE2 TYR A 10 -3.486 7.923 -16.322 1.00 25.00 C ATOM 138 CZ TYR A 10 -2.703 8.651 -15.427 1.00 25.00 C ATOM 139 OH TYR A 10 -3.224 9.758 -14.792 1.00 25.00 O ATOM 140 HA TYR A 10 1.035 5.635 -17.253 1.00 0.00 H ATOM 141 HB3 TYR A 10 -0.953 4.369 -16.696 1.00 0.00 H ATOM 142 HB2 TYR A 10 -1.763 4.850 -18.204 1.00 0.00 H ATOM 143 HD2 TYR A 10 -3.591 6.232 -17.663 1.00 0.00 H ATOM 144 HE2 TYR A 10 -4.511 8.236 -16.520 1.00 0.00 H ATOM 145 HE1 TYR A 10 -0.781 8.818 -14.472 1.00 0.00 H ATOM 146 HD1 TYR A 10 0.159 6.830 -15.621 1.00 0.00 H ATOM 147 HH TYR A 10 -2.536 10.150 -14.197 1.00 0.00 H ATOM 148 H TYR A 10 -0.874 7.235 -18.769 1.00 0.00 H ATOM 149 N CYS A 11 -0.115 3.518 -19.297 1.00 16.66 N ATOM 150 CA CYS A 11 0.227 2.394 -20.160 1.00 16.66 C ATOM 151 C CYS A 11 1.172 2.773 -21.280 1.00 16.66 C ATOM 152 O CYS A 11 0.987 3.761 -21.990 1.00 16.66 O ATOM 153 CB CYS A 11 -1.040 1.784 -20.786 1.00 16.66 C ATOM 154 SG CYS A 11 -0.582 0.401 -21.907 1.00 16.66 S ATOM 155 HA CYS A 11 0.729 1.670 -19.518 1.00 0.00 H ATOM 156 HB2 CYS A 11 -1.567 2.550 -21.354 1.00 0.00 H ATOM 157 HB3 CYS A 11 -1.689 1.408 -19.995 1.00 0.00 H ATOM 158 H CYS A 11 -1.079 3.579 -18.913 1.00 0.00 H ATOM 159 N ILE A 12 2.171 1.918 -21.435 1.00 16.66 N ATOM 160 CA ILE A 12 3.169 2.054 -22.472 1.00 16.66 C ATOM 161 C ILE A 12 2.459 2.014 -23.817 1.00 16.66 C ATOM 162 O ILE A 12 3.050 2.218 -24.877 1.00 16.66 O ATOM 163 CB ILE A 12 4.144 0.873 -22.330 1.00 50.00 C ATOM 164 CG1 ILE A 12 3.484 -0.403 -22.884 1.00 50.00 C ATOM 165 CG2 ILE A 12 4.455 0.666 -20.838 1.00 50.00 C ATOM 166 CD1 ILE A 12 4.398 -1.613 -22.669 1.00 50.00 C ATOM 167 HA ILE A 12 3.721 2.991 -22.394 1.00 0.00 H ATOM 168 HB ILE A 12 5.061 1.081 -22.882 1.00 0.00 H ATOM 169 HG12 ILE A 12 2.538 -0.571 -22.369 1.00 0.00 H ATOM 170 HG13 ILE A 12 3.298 -0.278 -23.951 1.00 0.00 H ATOM 171 HD11 ILE A 12 5.344 -1.449 -23.185 1.00 0.00 H ATOM 172 HD12 ILE A 12 4.583 -1.742 -21.603 1.00 0.00 H ATOM 173 HD13 ILE A 12 3.916 -2.506 -23.066 1.00 0.00 H ATOM 174 HG21 ILE A 12 4.908 1.571 -20.434 1.00 0.00 H ATOM 175 HG22 ILE A 12 3.531 0.450 -20.302 1.00 0.00 H ATOM 176 HG23 ILE A 12 5.146 -0.169 -20.725 1.00 0.00 H ATOM 177 H ILE A 12 2.241 1.112 -20.781 1.00 0.00 H ATOM 178 N CYS A 13 1.170 1.715 -23.727 1.00 16.66 N ATOM 179 CA CYS A 13 0.294 1.593 -24.883 1.00 16.66 C ATOM 180 C CYS A 13 -0.404 2.921 -25.196 1.00 16.66 C ATOM 181 O CYS A 13 -1.476 2.943 -25.799 1.00 16.66 O ATOM 182 CB CYS A 13 -0.745 0.506 -24.577 1.00 16.66 C ATOM 183 SG CYS A 13 -0.573 0.002 -22.819 1.00 16.66 S ATOM 184 HA CYS A 13 0.883 1.324 -25.760 1.00 0.00 H ATOM 185 HB2 CYS A 13 -0.576 -0.355 -25.224 1.00 0.00 H ATOM 186 HB3 CYS A 13 -1.747 0.898 -24.750 1.00 0.00 H ATOM 187 H CYS A 13 0.764 1.560 -22.782 1.00 0.00 H ATOM 188 N LYS A 14 0.217 4.024 -24.788 1.00 16.66 N ATOM 189 CA LYS A 14 -0.335 5.358 -25.031 1.00 16.66 C ATOM 190 C LYS A 14 -1.848 5.424 -24.783 1.00 16.66 C ATOM 191 O LYS A 14 -2.638 5.545 -25.717 1.00 16.66 O ATOM 192 CB LYS A 14 -0.012 5.829 -26.459 1.00 25.00 C ATOM 193 CG LYS A 14 -0.511 4.820 -27.500 1.00 25.00 C ATOM 194 CD LYS A 14 -0.182 5.335 -28.903 1.00 25.00 C ATOM 195 CE LYS A 14 -0.871 4.457 -29.948 1.00 25.00 C ATOM 196 NZ LYS A 14 -0.819 5.130 -31.277 1.00 25.00 N ATOM 197 HA LYS A 14 0.140 6.028 -24.315 1.00 0.00 H ATOM 198 HB2 LYS A 14 -0.495 6.790 -26.635 1.00 0.00 H ATOM 199 HB3 LYS A 14 1.067 5.942 -26.561 1.00 0.00 H ATOM 200 HG2 LYS A 14 -0.021 3.859 -27.340 1.00 0.00 H ATOM 201 HG3 LYS A 14 -1.590 4.697 -27.401 1.00 0.00 H ATOM 202 HD2 LYS A 14 -0.533 6.362 -29.004 1.00 0.00 H ATOM 203 HD3 LYS A 14 0.897 5.304 -29.057 1.00 0.00 H ATOM 204 HE2 LYS A 14 -1.911 4.299 -29.661 1.00 0.00 H ATOM 205 HE3 LYS A 14 -0.361 3.495 -30.008 1.00 0.00 H ATOM 206 HZ1 LYS A 14 -1.306 6.047 -31.219 1.00 0.00 H ATOM 207 HZ2 LYS A 14 0.173 5.280 -31.550 1.00 0.00 H ATOM 208 HZ3 LYS A 14 -1.288 4.531 -31.986 1.00 0.00 H ATOM 209 H LYS A 14 1.121 3.936 -24.282 1.00 0.00 H ATOM 210 N THR A 15 -2.239 5.376 -23.509 1.00 25.00 N ATOM 211 CA THR A 15 -3.651 5.462 -23.140 1.00 25.00 C ATOM 212 C THR A 15 -3.802 6.068 -21.736 1.00 25.00 C ATOM 213 O THR A 15 -3.247 5.538 -20.773 1.00 25.00 O ATOM 214 CB THR A 15 -4.272 4.062 -23.150 1.00 50.00 C ATOM 215 OG1 THR A 15 -3.645 3.275 -24.153 1.00 50.00 O ATOM 216 CG2 THR A 15 -5.771 4.161 -23.438 1.00 50.00 C ATOM 217 HA THR A 15 -4.161 6.100 -23.862 1.00 0.00 H ATOM 218 HB THR A 15 -4.126 3.596 -22.176 1.00 0.00 H ATOM 219 HG1 THR A 15 -3.777 3.702 -25.036 1.00 0.00 H ATOM 220 HG23 THR A 15 -6.249 4.765 -22.667 1.00 0.00 H ATOM 221 HG21 THR A 15 -5.923 4.626 -24.412 1.00 0.00 H ATOM 222 HG22 THR A 15 -6.206 3.162 -23.440 1.00 0.00 H ATOM 223 H THR A 15 -1.523 5.275 -22.761 1.00 0.00 H ATOM 224 N PRO A 16 -4.546 7.144 -21.590 1.00 50.00 N ATOM 225 CA PRO A 16 -4.767 7.788 -20.258 1.00 50.00 C ATOM 226 C PRO A 16 -5.637 6.923 -19.341 1.00 50.00 C ATOM 227 O PRO A 16 -6.098 5.853 -19.740 1.00 50.00 O ATOM 228 CB PRO A 16 -5.466 9.118 -20.581 1.00 50.00 C ATOM 229 CG PRO A 16 -5.413 9.273 -22.070 1.00 50.00 C ATOM 230 CD PRO A 16 -5.247 7.874 -22.655 1.00 50.00 C ATOM 231 HA PRO A 16 -3.829 7.927 -19.720 1.00 0.00 H ATOM 232 HD3 PRO A 16 -6.216 7.421 -22.867 1.00 0.00 H ATOM 233 HD2 PRO A 16 -4.652 7.900 -23.568 1.00 0.00 H ATOM 234 HG3 PRO A 16 -4.568 9.900 -22.352 1.00 0.00 H ATOM 235 HG2 PRO A 16 -6.336 9.725 -22.433 1.00 0.00 H ATOM 236 HB2 PRO A 16 -6.501 9.092 -20.241 1.00 0.00 H ATOM 237 HB3 PRO A 16 -4.946 9.945 -20.097 1.00 0.00 H ATOM 238 N TYR A 17 -5.845 7.384 -18.106 1.00 25.00 N ATOM 239 CA TYR A 17 -6.645 6.623 -17.150 1.00 25.00 C ATOM 240 C TYR A 17 -8.063 6.450 -17.639 1.00 25.00 C ATOM 241 O TYR A 17 -8.727 7.403 -18.045 1.00 25.00 O ATOM 242 CB TYR A 17 -6.726 7.313 -15.779 1.00 25.00 C ATOM 243 CG TYR A 17 -7.023 6.321 -14.656 1.00 25.00 C ATOM 244 CD1 TYR A 17 -7.194 4.943 -14.898 1.00 25.00 C ATOM 245 CD2 TYR A 17 -7.106 6.797 -13.342 1.00 25.00 C ATOM 246 CE1 TYR A 17 -7.446 4.067 -13.830 1.00 50.00 C ATOM 247 CE2 TYR A 17 -7.357 5.913 -12.285 1.00 25.00 C ATOM 248 CZ TYR A 17 -7.528 4.553 -12.527 1.00 50.00 C ATOM 249 OH TYR A 17 -7.775 3.688 -11.481 1.00 50.00 O ATOM 250 HA TYR A 17 -6.145 5.659 -17.053 1.00 0.00 H ATOM 251 HB3 TYR A 17 -7.519 8.061 -15.807 1.00 0.00 H ATOM 252 HB2 TYR A 17 -5.774 7.802 -15.574 1.00 0.00 H ATOM 253 HD2 TYR A 17 -6.975 7.860 -13.141 1.00 0.00 H ATOM 254 HE2 TYR A 17 -7.419 6.293 -11.265 1.00 0.00 H ATOM 255 HE1 TYR A 17 -7.578 3.002 -14.021 1.00 0.00 H ATOM 256 HD1 TYR A 17 -7.131 4.557 -15.915 1.00 0.00 H ATOM 257 HH TYR A 17 -7.869 2.767 -11.831 1.00 0.00 H ATOM 258 H TYR A 17 -5.433 8.295 -17.821 1.00 0.00 H ATOM 259 N ASP A 18 -8.526 5.232 -17.535 1.00 25.00 N ATOM 260 CA ASP A 18 -9.879 4.892 -17.899 1.00 25.00 C ATOM 261 C ASP A 18 -10.392 3.885 -16.886 1.00 25.00 C ATOM 262 O ASP A 18 -9.873 2.774 -16.794 1.00 25.00 O ATOM 263 CB ASP A 18 -9.916 4.316 -19.312 1.00 50.00 C ATOM 264 CG ASP A 18 -9.841 5.438 -20.343 1.00 50.00 C ATOM 265 OD1 ASP A 18 -9.864 6.589 -19.942 1.00 50.00 O ATOM 266 OD2 ASP A 18 -9.761 5.127 -21.520 1.00 50.00 O ATOM 267 HA ASP A 18 -10.513 5.778 -17.893 1.00 0.00 H ATOM 268 HB2 ASP A 18 -9.069 3.644 -19.449 1.00 0.00 H ATOM 269 HB3 ASP A 18 -10.844 3.761 -19.450 1.00 0.00 H ATOM 270 H ASP A 18 -7.898 4.484 -17.178 1.00 0.00 H ATOM 271 N GLU A 19 -11.390 4.279 -16.104 1.00 25.00 N ATOM 272 CA GLU A 19 -11.933 3.388 -15.085 1.00 25.00 C ATOM 273 C GLU A 19 -12.369 2.072 -15.714 1.00 25.00 C ATOM 274 O GLU A 19 -12.955 1.213 -15.053 1.00 25.00 O ATOM 275 CB GLU A 19 -13.117 4.052 -14.385 1.00 50.00 C ATOM 276 CG GLU A 19 -12.646 5.330 -13.685 1.00 50.00 C ATOM 277 CD GLU A 19 -13.803 5.961 -12.921 1.00 50.00 C ATOM 278 OE1 GLU A 19 -13.557 6.901 -12.184 1.00 50.00 O ATOM 279 OE2 GLU A 19 -14.920 5.497 -13.085 1.00 50.00 O ATOM 280 HA GLU A 19 -11.156 3.184 -14.348 1.00 0.00 H ATOM 281 HB2 GLU A 19 -13.881 4.301 -15.121 1.00 0.00 H ATOM 282 HB3 GLU A 19 -13.534 3.366 -13.648 1.00 0.00 H ATOM 283 HG2 GLU A 19 -11.843 5.086 -12.989 1.00 0.00 H ATOM 284 HG3 GLU A 19 -12.277 6.035 -14.430 1.00 0.00 H ATOM 285 H GLU A 19 -11.789 5.233 -16.219 1.00 0.00 H ATOM 286 N SER A 20 -12.045 1.916 -16.989 1.00 50.00 N ATOM 287 CA SER A 20 -12.361 0.696 -17.724 1.00 50.00 C ATOM 288 C SER A 20 -11.076 -0.084 -17.904 1.00 50.00 C ATOM 289 O SER A 20 -11.065 -1.220 -18.378 1.00 50.00 O ATOM 290 CB SER A 20 -12.950 1.038 -19.093 1.00 50.00 C ATOM 291 OG SER A 20 -13.743 -0.050 -19.549 1.00 50.00 O ATOM 292 HA SER A 20 -13.095 0.108 -17.173 1.00 0.00 H ATOM 293 HB2 SER A 20 -12.142 1.222 -19.801 1.00 0.00 H ATOM 294 HB3 SER A 20 -13.570 1.931 -19.010 1.00 0.00 H ATOM 295 HG SER A 20 -13.178 -0.860 -19.624 1.00 0.00 H ATOM 296 H SER A 20 -11.550 2.687 -17.481 1.00 0.00 H ATOM 297 N LYS A 21 -9.993 0.568 -17.512 1.00 16.66 N ATOM 298 CA LYS A 21 -8.672 0.012 -17.602 1.00 16.66 C ATOM 299 C LYS A 21 -8.139 -0.157 -16.206 1.00 16.66 C ATOM 300 O LYS A 21 -8.210 0.763 -15.392 1.00 16.66 O ATOM 301 CB LYS A 21 -7.796 0.994 -18.375 1.00 16.66 C ATOM 302 CG LYS A 21 -7.102 0.279 -19.518 1.00 16.66 C ATOM 303 CD LYS A 21 -8.108 -0.005 -20.643 1.00 25.00 C ATOM 304 CE LYS A 21 -7.360 -0.448 -21.901 1.00 50.00 C ATOM 305 NZ LYS A 21 -6.522 -1.639 -21.589 1.00 50.00 N ATOM 306 HA LYS A 21 -8.681 -0.952 -18.111 1.00 0.00 H ATOM 307 HB2 LYS A 21 -8.417 1.796 -18.774 1.00 0.00 H ATOM 308 HB3 LYS A 21 -7.047 1.416 -17.705 1.00 0.00 H ATOM 309 HG2 LYS A 21 -6.297 0.906 -19.902 1.00 0.00 H ATOM 310 HG3 LYS A 21 -6.687 -0.662 -19.157 1.00 0.00 H ATOM 311 HD2 LYS A 21 -8.790 -0.795 -20.329 1.00 0.00 H ATOM 312 HD3 LYS A 21 -8.677 0.900 -20.858 1.00 0.00 H ATOM 313 HE2 LYS A 21 -6.722 0.364 -22.249 1.00 0.00 H ATOM 314 HE3 LYS A 21 -8.078 -0.703 -22.680 1.00 0.00 H ATOM 315 HZ1 LYS A 21 -5.836 -1.394 -20.846 1.00 0.00 H ATOM 316 HZ2 LYS A 21 -7.132 -2.413 -21.258 1.00 0.00 H ATOM 317 HZ3 LYS A 21 -6.014 -1.938 -22.446 1.00 0.00 H ATOM 318 H LYS A 21 -10.104 1.526 -17.121 1.00 0.00 H ATOM 319 N PHE A 22 -7.605 -1.318 -15.924 1.00 16.66 N ATOM 320 CA PHE A 22 -7.060 -1.562 -14.616 1.00 16.66 C ATOM 321 C PHE A 22 -5.570 -1.641 -14.713 1.00 16.66 C ATOM 322 O PHE A 22 -5.021 -2.115 -15.702 1.00 16.66 O ATOM 323 CB PHE A 22 -7.614 -2.813 -14.038 1.00 16.66 C ATOM 324 CG PHE A 22 -7.118 -3.940 -14.867 1.00 16.66 C ATOM 325 CD1 PHE A 22 -7.796 -4.291 -16.028 1.00 16.66 C ATOM 326 CD2 PHE A 22 -5.950 -4.596 -14.499 1.00 16.66 C ATOM 327 CE1 PHE A 22 -7.308 -5.313 -16.830 1.00 16.66 C ATOM 328 CE2 PHE A 22 -5.447 -5.612 -15.299 1.00 16.66 C ATOM 329 CZ PHE A 22 -6.127 -5.977 -16.474 1.00 16.66 C ATOM 330 HA PHE A 22 -7.337 -0.742 -13.954 1.00 0.00 H ATOM 331 HB2 PHE A 22 -7.276 -2.930 -13.008 1.00 0.00 H ATOM 332 HB3 PHE A 22 -8.703 -2.784 -14.061 1.00 0.00 H ATOM 333 HD2 PHE A 22 -5.430 -4.313 -13.584 1.00 0.00 H ATOM 334 HE2 PHE A 22 -4.528 -6.125 -15.017 1.00 0.00 H ATOM 335 HZ PHE A 22 -5.736 -6.774 -17.106 1.00 0.00 H ATOM 336 HE1 PHE A 22 -7.843 -5.599 -17.736 1.00 0.00 H ATOM 337 HD1 PHE A 22 -8.709 -3.765 -16.308 1.00 0.00 H ATOM 338 H PHE A 22 -7.575 -2.065 -16.647 1.00 0.00 H ATOM 339 N TYR A 23 -4.924 -1.089 -13.721 1.00 16.66 N ATOM 340 CA TYR A 23 -3.493 -0.999 -13.735 1.00 16.66 C ATOM 341 C TYR A 23 -2.763 -1.747 -12.656 1.00 16.66 C ATOM 342 O TYR A 23 -3.314 -2.318 -11.715 1.00 16.66 O ATOM 343 CB TYR A 23 -3.119 0.446 -13.600 1.00 16.66 C ATOM 344 CG TYR A 23 -3.810 1.209 -14.667 1.00 16.66 C ATOM 345 CD1 TYR A 23 -5.171 1.466 -14.560 1.00 50.00 C ATOM 346 CD2 TYR A 23 -3.094 1.673 -15.756 1.00 50.00 C ATOM 347 CE1 TYR A 23 -5.810 2.185 -15.549 1.00 50.00 C ATOM 348 CE2 TYR A 23 -3.733 2.399 -16.739 1.00 50.00 C ATOM 349 CZ TYR A 23 -5.097 2.658 -16.648 1.00 50.00 C ATOM 350 OH TYR A 23 -5.735 3.385 -17.633 1.00 50.00 O ATOM 351 HA TYR A 23 -3.192 -1.462 -14.674 1.00 0.00 H ATOM 352 HB3 TYR A 23 -2.040 0.559 -13.706 1.00 0.00 H ATOM 353 HB2 TYR A 23 -3.428 0.817 -12.623 1.00 0.00 H ATOM 354 HD2 TYR A 23 -2.027 1.465 -15.837 1.00 0.00 H ATOM 355 HE2 TYR A 23 -3.166 2.772 -17.592 1.00 0.00 H ATOM 356 HE1 TYR A 23 -6.879 2.384 -15.470 1.00 0.00 H ATOM 357 HD1 TYR A 23 -5.731 1.101 -13.699 1.00 0.00 H ATOM 358 HH TYR A 23 -6.695 3.472 -17.408 1.00 0.00 H ATOM 359 H TYR A 23 -5.454 -0.710 -12.911 1.00 0.00 H ATOM 360 N ILE A 24 -1.475 -1.642 -12.857 1.00 16.66 N ATOM 361 CA ILE A 24 -0.447 -2.192 -11.991 1.00 16.66 C ATOM 362 C ILE A 24 0.735 -1.231 -12.059 1.00 16.66 C ATOM 363 O ILE A 24 1.150 -0.840 -13.157 1.00 16.66 O ATOM 364 CB ILE A 24 0.004 -3.603 -12.420 1.00 16.66 C ATOM 365 CG1 ILE A 24 0.416 -3.624 -13.904 1.00 16.66 C ATOM 366 CG2 ILE A 24 -1.103 -4.634 -12.166 1.00 16.66 C ATOM 367 CD1 ILE A 24 -0.581 -2.855 -14.780 1.00 16.66 C ATOM 368 HA ILE A 24 -0.843 -2.295 -10.981 1.00 0.00 H ATOM 369 HB ILE A 24 0.872 -3.869 -11.816 1.00 0.00 H ATOM 370 HG12 ILE A 24 1.401 -3.167 -14.004 1.00 0.00 H ATOM 371 HG13 ILE A 24 0.461 -4.659 -14.244 1.00 0.00 H ATOM 372 HD11 ILE A 24 -1.567 -3.310 -14.691 1.00 0.00 H ATOM 373 HD12 ILE A 24 -0.627 -1.817 -14.451 1.00 0.00 H ATOM 374 HD13 ILE A 24 -0.255 -2.894 -15.819 1.00 0.00 H ATOM 375 HG21 ILE A 24 -1.345 -4.651 -11.103 1.00 0.00 H ATOM 376 HG22 ILE A 24 -1.990 -4.361 -12.737 1.00 0.00 H ATOM 377 HG23 ILE A 24 -0.758 -5.620 -12.478 1.00 0.00 H ATOM 378 H ILE A 24 -1.162 -1.124 -13.703 1.00 0.00 H ATOM 379 N GLY A 25 1.238 -0.806 -10.903 1.00 16.66 N ATOM 380 CA GLY A 25 2.330 0.161 -10.870 1.00 16.66 C ATOM 381 C GLY A 25 3.724 -0.466 -10.912 1.00 16.66 C ATOM 382 O GLY A 25 4.085 -1.285 -10.066 1.00 16.66 O ATOM 383 HA3 GLY A 25 2.244 0.743 -9.952 1.00 0.00 H ATOM 384 HA2 GLY A 25 2.227 0.823 -11.730 1.00 0.00 H ATOM 385 H GLY A 25 0.847 -1.168 -10.010 1.00 0.00 H ATOM 386 N CYS A 26 4.521 0.000 -11.875 1.00 16.66 N ATOM 387 CA CYS A 26 5.905 -0.414 -12.025 1.00 16.66 C ATOM 388 C CYS A 26 6.551 -0.325 -10.639 1.00 16.66 C ATOM 389 O CYS A 26 6.676 0.765 -10.083 1.00 16.66 O ATOM 390 CB CYS A 26 6.549 0.587 -13.005 1.00 16.66 C ATOM 391 SG CYS A 26 7.901 -0.149 -14.027 1.00 16.66 S ATOM 392 HA CYS A 26 6.021 -1.429 -12.406 1.00 0.00 H ATOM 393 HB2 CYS A 26 6.963 1.416 -12.430 1.00 0.00 H ATOM 394 HB3 CYS A 26 5.775 0.962 -13.675 1.00 0.00 H ATOM 395 H CYS A 26 4.134 0.691 -12.549 1.00 0.00 H ATOM 396 N ASP A 27 6.926 -1.466 -10.068 1.00 16.66 N ATOM 397 CA ASP A 27 7.512 -1.472 -8.734 1.00 16.66 C ATOM 398 C ASP A 27 8.810 -0.711 -8.749 1.00 16.66 C ATOM 399 O ASP A 27 9.170 -0.030 -7.790 1.00 16.66 O ATOM 400 CB ASP A 27 7.760 -2.903 -8.261 1.00 25.00 C ATOM 401 CG ASP A 27 8.205 -2.899 -6.803 1.00 25.00 C ATOM 402 OD1 ASP A 27 9.401 -2.934 -6.568 1.00 25.00 O ATOM 403 OD2 ASP A 27 7.341 -2.863 -5.941 1.00 25.00 O ATOM 404 HA ASP A 27 6.815 -0.994 -8.045 1.00 0.00 H ATOM 405 HB2 ASP A 27 6.840 -3.480 -8.357 1.00 0.00 H ATOM 406 HB3 ASP A 27 8.538 -3.357 -8.875 1.00 0.00 H ATOM 407 H ASP A 27 6.800 -2.363 -10.579 1.00 0.00 H ATOM 408 N ARG A 28 9.506 -0.839 -9.858 1.00 16.66 N ATOM 409 CA ARG A 28 10.768 -0.172 -10.031 1.00 16.66 C ATOM 410 C ARG A 28 10.606 1.063 -10.922 1.00 16.66 C ATOM 411 O ARG A 28 11.377 2.014 -10.802 1.00 16.66 O ATOM 412 CB ARG A 28 11.783 -1.158 -10.619 1.00 16.66 C ATOM 413 CG ARG A 28 12.874 -0.391 -11.356 1.00 16.66 C ATOM 414 CD ARG A 28 13.835 -1.368 -12.032 1.00 50.00 C ATOM 415 NE ARG A 28 14.732 -1.960 -11.047 1.00 50.00 N ATOM 416 CZ ARG A 28 15.883 -1.376 -10.727 1.00 50.00 C ATOM 417 NH1 ARG A 28 16.225 -0.249 -11.291 1.00 50.00 N ATOM 418 NH2 ARG A 28 16.672 -1.929 -9.847 1.00 50.00 N ATOM 419 HA ARG A 28 11.135 0.172 -9.064 1.00 0.00 H ATOM 420 HB2 ARG A 28 12.230 -1.742 -9.814 1.00 0.00 H ATOM 421 HB3 ARG A 28 11.277 -1.828 -11.314 1.00 0.00 H ATOM 422 HG2 ARG A 28 12.418 0.249 -12.112 1.00 0.00 H ATOM 423 HG3 ARG A 28 13.426 0.225 -10.645 1.00 0.00 H ATOM 424 HD2 ARG A 28 14.423 -0.835 -12.779 1.00 0.00 H ATOM 425 HD3 ARG A 28 13.262 -2.158 -12.518 1.00 0.00 H ATOM 426 HE ARG A 28 14.467 -2.854 -10.587 1.00 0.00 H ATOM 427 HH12 ARG A 28 17.126 0.206 -11.039 1.00 0.00 H ATOM 428 HH11 ARG A 28 15.597 0.193 -11.992 1.00 0.00 H ATOM 429 HH22 ARG A 28 17.572 -1.473 -9.596 1.00 0.00 H ATOM 430 HH21 ARG A 28 16.401 -2.826 -9.396 1.00 0.00 H ATOM 431 H ARG A 28 9.136 -1.435 -10.626 1.00 0.00 H ATOM 432 N CYS A 29 9.609 1.062 -11.822 1.00 16.66 N ATOM 433 CA CYS A 29 9.420 2.210 -12.688 1.00 16.66 C ATOM 434 C CYS A 29 8.482 3.229 -12.028 1.00 16.66 C ATOM 435 O CYS A 29 8.589 4.428 -12.276 1.00 16.66 O ATOM 436 CB CYS A 29 8.873 1.776 -14.059 1.00 16.66 C ATOM 437 SG CYS A 29 8.475 -0.056 -14.107 1.00 16.66 S ATOM 438 HA CYS A 29 10.389 2.684 -12.846 1.00 0.00 H ATOM 439 HB2 CYS A 29 9.620 1.994 -14.822 1.00 0.00 H ATOM 440 HB3 CYS A 29 7.964 2.340 -14.270 1.00 0.00 H ATOM 441 H CYS A 29 8.975 0.241 -11.898 1.00 0.00 H ATOM 442 N GLN A 30 7.585 2.734 -11.172 1.00 16.66 N ATOM 443 CA GLN A 30 6.639 3.588 -10.448 1.00 16.66 C ATOM 444 C GLN A 30 5.506 4.117 -11.346 1.00 16.66 C ATOM 445 O GLN A 30 4.918 5.155 -11.044 1.00 16.66 O ATOM 446 CB GLN A 30 7.410 4.750 -9.782 1.00 16.66 C ATOM 447 CG GLN A 30 7.248 6.067 -10.564 1.00 16.66 C ATOM 448 CD GLN A 30 8.448 6.972 -10.307 1.00 16.66 C ATOM 449 OE1 GLN A 30 8.596 7.512 -9.212 1.00 16.66 O ATOM 450 NE2 GLN A 30 9.318 7.172 -11.259 1.00 16.66 N ATOM 451 HA GLN A 30 6.156 2.981 -9.683 1.00 0.00 H ATOM 452 HB2 GLN A 30 7.030 4.891 -8.770 1.00 0.00 H ATOM 453 HB3 GLN A 30 8.468 4.493 -9.739 1.00 0.00 H ATOM 454 HG2 GLN A 30 7.180 5.849 -11.630 1.00 0.00 H ATOM 455 HG3 GLN A 30 6.338 6.571 -10.239 1.00 0.00 H ATOM 456 HE22 GLN A 30 9.191 6.714 -12.184 1.00 0.00 H ATOM 457 HE21 GLN A 30 10.138 7.789 -11.092 1.00 0.00 H ATOM 458 H GLN A 30 7.556 1.707 -11.013 1.00 0.00 H ATOM 459 N ASN A 31 5.171 3.407 -12.433 1.00 16.66 N ATOM 460 CA ASN A 31 4.089 3.856 -13.300 1.00 16.66 C ATOM 461 C ASN A 31 3.151 2.717 -13.647 1.00 16.66 C ATOM 462 O ASN A 31 3.399 1.568 -13.291 1.00 16.66 O ATOM 463 CB ASN A 31 4.622 4.529 -14.540 1.00 16.66 C ATOM 464 CG ASN A 31 5.536 3.590 -15.310 1.00 16.66 C ATOM 465 OD1 ASN A 31 5.136 2.481 -15.646 1.00 50.00 O ATOM 466 ND2 ASN A 31 6.748 3.971 -15.605 1.00 50.00 N ATOM 467 HA ASN A 31 3.512 4.598 -12.748 1.00 0.00 H ATOM 468 HB2 ASN A 31 3.787 4.818 -15.178 1.00 0.00 H ATOM 469 HB3 ASN A 31 5.183 5.418 -14.252 1.00 0.00 H ATOM 470 HD22 ASN A 31 7.082 4.913 -15.317 1.00 0.00 H ATOM 471 HD21 ASN A 31 7.381 3.333 -16.128 1.00 0.00 H ATOM 472 H ASN A 31 5.686 2.532 -12.658 1.00 0.00 H ATOM 473 N TRP A 32 2.019 3.063 -14.255 1.00 16.66 N ATOM 474 CA TRP A 32 0.982 2.072 -14.530 1.00 16.66 C ATOM 475 C TRP A 32 0.637 1.834 -15.996 1.00 16.66 C ATOM 476 O TRP A 32 0.623 2.753 -16.815 1.00 16.66 O ATOM 477 CB TRP A 32 -0.286 2.597 -13.909 1.00 16.66 C ATOM 478 CG TRP A 32 0.098 3.862 -13.344 1.00 16.66 C ATOM 479 CD1 TRP A 32 0.134 5.039 -13.963 1.00 16.66 C ATOM 480 CD2 TRP A 32 0.623 4.035 -12.068 1.00 16.66 C ATOM 481 NE1 TRP A 32 0.644 5.973 -13.085 1.00 16.66 N ATOM 482 CE2 TRP A 32 0.967 5.377 -11.885 1.00 16.66 C ATOM 483 CE3 TRP A 32 0.811 3.136 -11.054 1.00 16.66 C ATOM 484 CZ2 TRP A 32 1.505 5.803 -10.698 1.00 16.66 C ATOM 485 CZ3 TRP A 32 1.341 3.543 -9.876 1.00 16.66 C ATOM 486 CH2 TRP A 32 1.697 4.871 -9.681 1.00 16.66 C ATOM 487 HA TRP A 32 1.369 1.131 -14.140 1.00 0.00 H ATOM 488 HB2 TRP A 32 -1.061 2.729 -14.664 1.00 0.00 H ATOM 489 HB3 TRP A 32 -0.647 1.920 -13.134 1.00 0.00 H ATOM 490 HE1 TRP A 32 0.767 6.983 -13.298 1.00 0.00 H ATOM 491 HD1 TRP A 32 -0.185 5.232 -14.987 1.00 0.00 H ATOM 492 HZ2 TRP A 32 1.777 6.849 -10.553 1.00 0.00 H ATOM 493 HH2 TRP A 32 2.128 5.185 -8.730 1.00 0.00 H ATOM 494 HZ3 TRP A 32 1.490 2.821 -9.073 1.00 0.00 H ATOM 495 HE3 TRP A 32 0.534 2.091 -11.194 1.00 0.00 H ATOM 496 H TRP A 32 1.871 4.053 -14.538 1.00 0.00 H ATOM 497 N TYR A 33 0.240 0.602 -16.260 1.00 16.66 N ATOM 498 CA TYR A 33 -0.268 0.211 -17.583 1.00 16.66 C ATOM 499 C TYR A 33 -1.443 -0.740 -17.391 1.00 16.66 C ATOM 500 O TYR A 33 -1.607 -1.298 -16.309 1.00 16.66 O ATOM 501 CB TYR A 33 0.790 -0.515 -18.411 1.00 16.66 C ATOM 502 CG TYR A 33 2.147 -0.226 -17.858 1.00 16.66 C ATOM 503 CD1 TYR A 33 2.861 0.901 -18.273 1.00 16.66 C ATOM 504 CD2 TYR A 33 2.687 -1.095 -16.921 1.00 16.66 C ATOM 505 CE1 TYR A 33 4.122 1.152 -17.745 1.00 16.66 C ATOM 506 CE2 TYR A 33 3.942 -0.850 -16.391 1.00 16.66 C ATOM 507 CZ TYR A 33 4.668 0.282 -16.803 1.00 50.00 C ATOM 508 OH TYR A 33 5.915 0.545 -16.283 1.00 50.00 O ATOM 509 HA TYR A 33 -0.559 1.119 -18.110 1.00 0.00 H ATOM 510 HB3 TYR A 33 0.739 -0.173 -19.445 1.00 0.00 H ATOM 511 HB2 TYR A 33 0.605 -1.589 -18.375 1.00 0.00 H ATOM 512 HD2 TYR A 33 2.123 -1.971 -16.602 1.00 0.00 H ATOM 513 HE2 TYR A 33 4.367 -1.533 -15.656 1.00 0.00 H ATOM 514 HE1 TYR A 33 4.684 2.029 -18.067 1.00 0.00 H ATOM 515 HD1 TYR A 33 2.431 1.581 -19.008 1.00 0.00 H ATOM 516 HH TYR A 33 6.271 1.376 -16.687 1.00 0.00 H ATOM 517 H TYR A 33 0.288 -0.114 -15.508 1.00 0.00 H ATOM 518 N HIS A 34 -2.232 -0.974 -18.440 1.00 16.66 N ATOM 519 CA HIS A 34 -3.308 -1.931 -18.313 1.00 16.66 C ATOM 520 C HIS A 34 -2.663 -3.297 -18.254 1.00 16.66 C ATOM 521 O HIS A 34 -1.642 -3.536 -18.908 1.00 16.66 O ATOM 522 CB HIS A 34 -4.282 -1.872 -19.494 1.00 16.66 C ATOM 523 CG HIS A 34 -4.226 -0.506 -20.101 1.00 16.66 C ATOM 524 ND1 HIS A 34 -4.283 -0.294 -21.465 1.00 16.66 N ATOM 525 CD2 HIS A 34 -4.098 0.729 -19.533 1.00 16.66 C ATOM 526 CE1 HIS A 34 -4.190 1.030 -21.672 1.00 16.66 C ATOM 527 NE2 HIS A 34 -4.076 1.702 -20.525 1.00 16.66 N ATOM 528 HA HIS A 34 -3.891 -1.710 -17.419 1.00 0.00 H ATOM 529 HB2 HIS A 34 -3.999 -2.616 -20.239 1.00 0.00 H ATOM 530 HB3 HIS A 34 -5.294 -2.076 -19.144 1.00 0.00 H ATOM 531 HD2 HIS A 34 -4.024 0.923 -18.463 1.00 0.00 H ATOM 532 HE1 HIS A 34 -4.206 1.498 -22.656 1.00 0.00 H ATOM 533 H HIS A 34 -2.075 -0.474 -19.338 1.00 0.00 H ATOM 534 N GLY A 35 -3.220 -4.175 -17.462 1.00 16.66 N ATOM 535 CA GLY A 35 -2.634 -5.494 -17.326 1.00 16.66 C ATOM 536 C GLY A 35 -2.190 -6.047 -18.668 1.00 16.66 C ATOM 537 O GLY A 35 -1.061 -6.511 -18.816 1.00 16.66 O ATOM 538 HA3 GLY A 35 -3.373 -6.167 -16.892 1.00 0.00 H ATOM 539 HA2 GLY A 35 -1.770 -5.431 -16.665 1.00 0.00 H ATOM 540 H GLY A 35 -4.080 -3.928 -16.932 1.00 0.00 H ATOM 541 N ARG A 36 -3.074 -5.994 -19.641 1.00 16.66 N ATOM 542 CA ARG A 36 -2.748 -6.489 -20.964 1.00 16.66 C ATOM 543 C ARG A 36 -1.864 -5.498 -21.680 1.00 16.66 C ATOM 544 O ARG A 36 -1.167 -5.843 -22.634 1.00 16.66 O ATOM 545 CB ARG A 36 -4.028 -6.724 -21.763 1.00 16.66 C ATOM 546 CG ARG A 36 -4.560 -5.379 -22.287 1.00 16.66 C ATOM 547 CD ARG A 36 -6.084 -5.422 -22.386 1.00 50.00 C ATOM 548 NE ARG A 36 -6.544 -4.627 -23.516 1.00 50.00 N ATOM 549 CZ ARG A 36 -7.742 -4.831 -24.054 1.00 50.00 C ATOM 550 NH1 ARG A 36 -8.532 -5.745 -23.557 1.00 50.00 N ATOM 551 NH2 ARG A 36 -8.130 -4.118 -25.076 1.00 50.00 N ATOM 552 HA ARG A 36 -2.214 -7.434 -20.869 1.00 0.00 H ATOM 553 HB2 ARG A 36 -3.816 -7.384 -22.604 1.00 0.00 H ATOM 554 HB3 ARG A 36 -4.778 -7.186 -21.121 1.00 0.00 H ATOM 555 HG2 ARG A 36 -4.265 -4.583 -21.604 1.00 0.00 H ATOM 556 HG3 ARG A 36 -4.139 -5.184 -23.273 1.00 0.00 H ATOM 557 HD2 ARG A 36 -6.515 -5.023 -21.468 1.00 0.00 H ATOM 558 HD3 ARG A 36 -6.406 -6.455 -22.519 1.00 0.00 H ATOM 559 HE ARG A 36 -5.926 -3.888 -23.908 1.00 0.00 H ATOM 560 HH12 ARG A 36 -9.470 -5.906 -23.977 1.00 0.00 H ATOM 561 HH11 ARG A 36 -8.223 -6.312 -22.742 1.00 0.00 H ATOM 562 HH22 ARG A 36 -9.068 -4.279 -25.496 1.00 0.00 H ATOM 563 HH21 ARG A 36 -7.501 -3.389 -25.470 1.00 0.00 H ATOM 564 H ARG A 36 -4.016 -5.593 -19.459 1.00 0.00 H ATOM 565 N CYS A 37 -1.893 -4.261 -21.216 1.00 16.66 N ATOM 566 CA CYS A 37 -1.084 -3.241 -21.836 1.00 16.66 C ATOM 567 C CYS A 37 0.342 -3.747 -21.940 1.00 16.66 C ATOM 568 O CYS A 37 1.095 -3.364 -22.835 1.00 16.66 O ATOM 569 CB CYS A 37 -1.127 -1.957 -21.015 1.00 16.66 C ATOM 570 SG CYS A 37 -0.722 -0.516 -22.075 1.00 16.66 S ATOM 571 HA CYS A 37 -1.472 -3.021 -22.831 1.00 0.00 H ATOM 572 HB2 CYS A 37 -0.402 -2.023 -20.204 1.00 0.00 H ATOM 573 HB3 CYS A 37 -2.126 -1.829 -20.598 1.00 0.00 H ATOM 574 H CYS A 37 -2.499 -4.023 -20.405 1.00 0.00 H ATOM 575 N VAL A 38 0.690 -4.629 -21.010 1.00 16.66 N ATOM 576 CA VAL A 38 2.018 -5.224 -20.978 1.00 16.66 C ATOM 577 C VAL A 38 1.922 -6.729 -21.183 1.00 16.66 C ATOM 578 O VAL A 38 2.887 -7.464 -20.982 1.00 16.66 O ATOM 579 CB VAL A 38 2.691 -4.891 -19.652 1.00 16.66 C ATOM 580 CG1 VAL A 38 2.598 -3.390 -19.442 1.00 16.66 C ATOM 581 CG2 VAL A 38 1.980 -5.584 -18.495 1.00 16.66 C ATOM 582 HA VAL A 38 2.623 -4.814 -21.787 1.00 0.00 H ATOM 583 HB VAL A 38 3.727 -5.228 -19.681 1.00 0.00 H ATOM 584 HG11 VAL A 38 3.104 -2.878 -20.260 1.00 0.00 H ATOM 585 HG12 VAL A 38 1.550 -3.092 -19.418 1.00 0.00 H ATOM 586 HG13 VAL A 38 3.074 -3.126 -18.497 1.00 0.00 H ATOM 587 HG21 VAL A 38 0.943 -5.252 -18.456 1.00 0.00 H ATOM 588 HG22 VAL A 38 2.012 -6.663 -18.645 1.00 0.00 H ATOM 589 HG23 VAL A 38 2.479 -5.331 -17.560 1.00 0.00 H ATOM 590 H VAL A 38 -0.005 -4.902 -20.286 1.00 0.00 H ATOM 591 N GLY A 39 0.744 -7.170 -21.615 1.00 16.66 N ATOM 592 CA GLY A 39 0.512 -8.586 -21.888 1.00 16.66 C ATOM 593 C GLY A 39 0.432 -9.415 -20.616 1.00 16.66 C ATOM 594 O GLY A 39 1.056 -10.472 -20.521 1.00 16.66 O ATOM 595 HA3 GLY A 39 1.330 -8.963 -22.501 1.00 0.00 H ATOM 596 HA2 GLY A 39 -0.426 -8.689 -22.433 1.00 0.00 H ATOM 597 H GLY A 39 -0.030 -6.491 -21.762 1.00 0.00 H ATOM 598 N ILE A 40 -0.328 -8.939 -19.640 1.00 16.66 N ATOM 599 CA ILE A 40 -0.460 -9.663 -18.382 1.00 16.66 C ATOM 600 C ILE A 40 -1.887 -10.156 -18.174 1.00 16.66 C ATOM 601 O ILE A 40 -2.812 -9.748 -18.879 1.00 16.66 O ATOM 602 CB ILE A 40 -0.040 -8.761 -17.214 1.00 16.66 C ATOM 603 CG1 ILE A 40 0.908 -9.542 -16.296 1.00 16.66 C ATOM 604 CG2 ILE A 40 -1.271 -8.290 -16.431 1.00 16.66 C ATOM 605 CD1 ILE A 40 1.014 -8.847 -14.944 1.00 16.66 C ATOM 606 HA ILE A 40 0.194 -10.534 -18.422 1.00 0.00 H ATOM 607 HB ILE A 40 0.471 -7.880 -17.602 1.00 0.00 H ATOM 608 HG12 ILE A 40 0.523 -10.552 -16.154 1.00 0.00 H ATOM 609 HG13 ILE A 40 1.895 -9.592 -16.755 1.00 0.00 H ATOM 610 HD11 ILE A 40 1.401 -7.838 -15.085 1.00 0.00 H ATOM 611 HD12 ILE A 40 0.027 -8.798 -14.484 1.00 0.00 H ATOM 612 HD13 ILE A 40 1.690 -9.410 -14.300 1.00 0.00 H ATOM 613 HG21 ILE A 40 -1.929 -7.729 -17.094 1.00 0.00 H ATOM 614 HG22 ILE A 40 -1.803 -9.156 -16.037 1.00 0.00 H ATOM 615 HG23 ILE A 40 -0.953 -7.652 -15.607 1.00 0.00 H ATOM 616 H ILE A 40 -0.835 -8.041 -19.773 1.00 0.00 H ATOM 617 N LEU A 41 -2.048 -11.029 -17.189 1.00 16.66 N ATOM 618 CA LEU A 41 -3.355 -11.577 -16.869 1.00 16.66 C ATOM 619 C LEU A 41 -4.309 -10.484 -16.439 1.00 16.66 C ATOM 620 O LEU A 41 -3.907 -9.355 -16.157 1.00 16.66 O ATOM 621 CB LEU A 41 -3.275 -12.612 -15.763 1.00 25.00 C ATOM 622 CG LEU A 41 -2.175 -13.629 -16.072 1.00 25.00 C ATOM 623 CD1 LEU A 41 -2.181 -14.725 -15.004 1.00 50.00 C ATOM 624 CD2 LEU A 41 -2.423 -14.257 -17.448 1.00 50.00 C ATOM 625 HA LEU A 41 -3.723 -12.055 -17.777 1.00 0.00 H ATOM 626 HB2 LEU A 41 -3.052 -12.115 -14.819 1.00 0.00 H ATOM 627 HB3 LEU A 41 -4.231 -13.129 -15.683 1.00 0.00 H ATOM 628 HG LEU A 41 -1.208 -13.125 -16.074 1.00 0.00 H ATOM 629 HD21 LEU A 41 -3.390 -14.759 -17.448 1.00 0.00 H ATOM 630 HD22 LEU A 41 -2.418 -13.476 -18.209 1.00 0.00 H ATOM 631 HD23 LEU A 41 -1.637 -14.980 -17.663 1.00 0.00 H ATOM 632 HD11 LEU A 41 -2.000 -14.279 -14.026 1.00 0.00 H ATOM 633 HD12 LEU A 41 -3.150 -15.225 -15.003 1.00 0.00 H ATOM 634 HD13 LEU A 41 -1.397 -15.450 -15.224 1.00 0.00 H ATOM 635 H LEU A 41 -1.221 -11.328 -16.634 1.00 0.00 H ATOM 636 N GLN A 42 -5.578 -10.831 -16.407 1.00 16.66 N ATOM 637 CA GLN A 42 -6.601 -9.885 -16.019 1.00 16.66 C ATOM 638 C GLN A 42 -6.656 -9.741 -14.508 1.00 16.66 C ATOM 639 O GLN A 42 -6.537 -8.642 -13.967 1.00 16.66 O ATOM 640 CB GLN A 42 -7.955 -10.360 -16.524 1.00 16.66 C ATOM 641 CG GLN A 42 -8.959 -9.228 -16.368 1.00 16.66 C ATOM 642 CD GLN A 42 -8.808 -8.249 -17.524 1.00 25.00 C ATOM 643 OE1 GLN A 42 -9.686 -7.419 -17.759 1.00 25.00 O ATOM 644 NE2 GLN A 42 -7.737 -8.303 -18.270 1.00 25.00 N ATOM 645 HA GLN A 42 -6.358 -8.917 -16.457 1.00 0.00 H ATOM 646 HB2 GLN A 42 -7.877 -10.639 -17.575 1.00 0.00 H ATOM 647 HB3 GLN A 42 -8.281 -11.223 -15.943 1.00 0.00 H ATOM 648 HG2 GLN A 42 -9.970 -9.636 -16.368 1.00 0.00 H ATOM 649 HG3 GLN A 42 -8.778 -8.709 -15.427 1.00 0.00 H ATOM 650 HE22 GLN A 42 -6.997 -9.006 -18.068 1.00 0.00 H ATOM 651 HE21 GLN A 42 -7.624 -7.643 -19.066 1.00 0.00 H ATOM 652 H GLN A 42 -5.850 -11.801 -16.665 1.00 0.00 H ATOM 653 N SER A 43 -6.829 -10.869 -13.836 1.00 16.66 N ATOM 654 CA SER A 43 -6.892 -10.878 -12.387 1.00 16.66 C ATOM 655 C SER A 43 -5.541 -10.473 -11.822 1.00 16.66 C ATOM 656 O SER A 43 -5.427 -10.106 -10.654 1.00 16.66 O ATOM 657 CB SER A 43 -7.277 -12.270 -11.890 1.00 50.00 C ATOM 658 OG SER A 43 -7.339 -12.263 -10.469 1.00 50.00 O ATOM 659 HA SER A 43 -7.648 -10.168 -12.052 1.00 0.00 H ATOM 660 HB2 SER A 43 -6.531 -12.993 -12.218 1.00 0.00 H ATOM 661 HB3 SER A 43 -8.251 -12.545 -12.296 1.00 0.00 H ATOM 662 HG SER A 43 -6.454 -12.013 -10.102 1.00 0.00 H ATOM 663 H SER A 43 -6.921 -11.765 -14.357 1.00 0.00 H ATOM 664 N GLU A 44 -4.522 -10.542 -12.675 1.00 16.66 N ATOM 665 CA GLU A 44 -3.168 -10.186 -12.275 1.00 16.66 C ATOM 666 C GLU A 44 -3.172 -8.911 -11.469 1.00 16.66 C ATOM 667 O GLU A 44 -2.230 -8.619 -10.752 1.00 16.66 O ATOM 668 CB GLU A 44 -2.277 -10.021 -13.504 1.00 16.66 C ATOM 669 CG GLU A 44 -1.187 -11.104 -13.511 1.00 16.66 C ATOM 670 CD GLU A 44 -0.083 -10.744 -12.525 1.00 25.00 C ATOM 671 OE1 GLU A 44 0.663 -11.632 -12.150 1.00 50.00 O ATOM 672 OE2 GLU A 44 0.001 -9.584 -12.165 1.00 50.00 O ATOM 673 HA GLU A 44 -2.772 -10.991 -11.656 1.00 0.00 H ATOM 674 HB2 GLU A 44 -2.883 -10.113 -14.405 1.00 0.00 H ATOM 675 HB3 GLU A 44 -1.809 -9.037 -13.481 1.00 0.00 H ATOM 676 HG2 GLU A 44 -1.627 -12.060 -13.227 1.00 0.00 H ATOM 677 HG3 GLU A 44 -0.764 -11.184 -14.512 1.00 0.00 H ATOM 678 H GLU A 44 -4.697 -10.858 -13.650 1.00 0.00 H ATOM 679 N ALA A 45 -4.228 -8.147 -11.594 1.00 16.66 N ATOM 680 CA ALA A 45 -4.328 -6.913 -10.859 1.00 16.66 C ATOM 681 C ALA A 45 -4.636 -7.198 -9.383 1.00 16.66 C ATOM 682 O ALA A 45 -4.118 -6.524 -8.497 1.00 16.66 O ATOM 683 CB ALA A 45 -5.415 -6.049 -11.496 1.00 25.00 C ATOM 684 HA ALA A 45 -3.380 -6.376 -10.898 1.00 0.00 H ATOM 685 HB1 ALA A 45 -5.152 -5.842 -12.533 1.00 0.00 H ATOM 686 HB2 ALA A 45 -6.366 -6.580 -11.460 1.00 0.00 H ATOM 687 HB3 ALA A 45 -5.500 -5.111 -10.947 1.00 0.00 H ATOM 688 H ALA A 45 -5.000 -8.434 -12.229 1.00 0.00 H ATOM 689 N GLU A 46 -5.491 -8.192 -9.121 1.00 16.66 N ATOM 690 CA GLU A 46 -5.852 -8.524 -7.737 1.00 16.66 C ATOM 691 C GLU A 46 -4.893 -9.518 -7.094 1.00 16.66 C ATOM 692 O GLU A 46 -4.357 -9.274 -6.013 1.00 16.66 O ATOM 693 CB GLU A 46 -7.278 -9.081 -7.692 1.00 25.00 C ATOM 694 CG GLU A 46 -7.713 -9.280 -6.237 1.00 25.00 C ATOM 695 CD GLU A 46 -9.101 -9.909 -6.189 1.00 25.00 C ATOM 696 OE1 GLU A 46 -9.594 -10.128 -5.096 1.00 50.00 O ATOM 697 OE2 GLU A 46 -9.651 -10.164 -7.248 1.00 50.00 O ATOM 698 HA GLU A 46 -5.787 -7.600 -7.163 1.00 0.00 H ATOM 699 HB2 GLU A 46 -7.956 -8.380 -8.180 1.00 0.00 H ATOM 700 HB3 GLU A 46 -7.309 -10.038 -8.213 1.00 0.00 H ATOM 701 HG2 GLU A 46 -7.002 -9.935 -5.734 1.00 0.00 H ATOM 702 HG3 GLU A 46 -7.736 -8.315 -5.732 1.00 0.00 H ATOM 703 H GLU A 46 -5.905 -8.735 -9.905 1.00 0.00 H ATOM 704 N LEU A 47 -4.688 -10.627 -7.764 1.00 16.66 N ATOM 705 CA LEU A 47 -3.800 -11.679 -7.280 1.00 16.66 C ATOM 706 C LEU A 47 -2.380 -11.216 -7.263 1.00 16.66 C ATOM 707 O LEU A 47 -1.460 -12.027 -7.164 1.00 16.66 O ATOM 708 CB LEU A 47 -3.903 -12.850 -8.236 1.00 16.66 C ATOM 709 CG LEU A 47 -3.556 -12.315 -9.638 1.00 16.66 C ATOM 710 CD1 LEU A 47 -2.034 -12.320 -9.861 1.00 16.66 C ATOM 711 CD2 LEU A 47 -4.256 -13.152 -10.706 1.00 16.66 C ATOM 712 HA LEU A 47 -4.092 -11.954 -6.267 1.00 0.00 H ATOM 713 HB2 LEU A 47 -3.200 -13.632 -7.948 1.00 0.00 H ATOM 714 HB3 LEU A 47 -4.916 -13.253 -8.228 1.00 0.00 H ATOM 715 HG LEU A 47 -3.906 -11.286 -9.713 1.00 0.00 H ATOM 716 HD21 LEU A 47 -3.928 -14.188 -10.626 1.00 0.00 H ATOM 717 HD22 LEU A 47 -5.335 -13.099 -10.559 1.00 0.00 H ATOM 718 HD23 LEU A 47 -4.003 -12.764 -11.693 1.00 0.00 H ATOM 719 HD11 LEU A 47 -1.556 -11.686 -9.114 1.00 0.00 H ATOM 720 HD12 LEU A 47 -1.658 -13.339 -9.769 1.00 0.00 H ATOM 721 HD13 LEU A 47 -1.813 -11.938 -10.858 1.00 0.00 H ATOM 722 H LEU A 47 -5.176 -10.761 -8.673 1.00 0.00 H ATOM 723 N ILE A 48 -2.189 -9.931 -7.421 1.00 16.66 N ATOM 724 CA ILE A 48 -0.855 -9.423 -7.493 1.00 16.66 C ATOM 725 C ILE A 48 -0.517 -8.465 -6.358 1.00 16.66 C ATOM 726 O ILE A 48 -1.382 -7.780 -5.814 1.00 16.66 O ATOM 727 CB ILE A 48 -0.714 -8.774 -8.857 1.00 25.00 C ATOM 728 CG1 ILE A 48 0.554 -9.266 -9.521 1.00 25.00 C ATOM 729 CG2 ILE A 48 -0.695 -7.258 -8.741 1.00 25.00 C ATOM 730 CD1 ILE A 48 1.700 -9.143 -8.547 1.00 25.00 C ATOM 731 HA ILE A 48 -0.138 -10.236 -7.373 1.00 0.00 H ATOM 732 HB ILE A 48 -1.574 -9.051 -9.466 1.00 0.00 H ATOM 733 HG12 ILE A 48 0.433 -10.309 -9.813 1.00 0.00 H ATOM 734 HG13 ILE A 48 0.760 -8.664 -10.406 1.00 0.00 H ATOM 735 HD11 ILE A 48 1.818 -8.099 -8.257 1.00 0.00 H ATOM 736 HD12 ILE A 48 1.490 -9.745 -7.663 1.00 0.00 H ATOM 737 HD13 ILE A 48 2.616 -9.496 -9.020 1.00 0.00 H ATOM 738 HG21 ILE A 48 -1.625 -6.918 -8.286 1.00 0.00 H ATOM 739 HG22 ILE A 48 0.147 -6.953 -8.120 1.00 0.00 H ATOM 740 HG23 ILE A 48 -0.593 -6.820 -9.734 1.00 0.00 H ATOM 741 H ILE A 48 -3.001 -9.285 -7.494 1.00 0.00 H ATOM 742 N ASP A 49 0.765 -8.452 -6.007 1.00 25.00 N ATOM 743 CA ASP A 49 1.256 -7.614 -4.933 1.00 25.00 C ATOM 744 C ASP A 49 2.785 -7.601 -4.929 1.00 25.00 C ATOM 745 O ASP A 49 3.416 -7.408 -3.891 1.00 25.00 O ATOM 746 CB ASP A 49 0.734 -8.172 -3.622 1.00 25.00 C ATOM 747 CG ASP A 49 1.108 -7.252 -2.466 1.00 25.00 C ATOM 748 OD1 ASP A 49 1.666 -6.199 -2.729 1.00 50.00 O ATOM 749 OD2 ASP A 49 0.832 -7.613 -1.334 1.00 50.00 O ATOM 750 HA ASP A 49 0.910 -6.589 -5.069 1.00 0.00 H ATOM 751 HB2 ASP A 49 -0.351 -8.259 -3.675 1.00 0.00 H ATOM 752 HB3 ASP A 49 1.169 -9.157 -3.452 1.00 0.00 H ATOM 753 H ASP A 49 1.435 -9.061 -6.519 1.00 0.00 H ATOM 754 N GLU A 50 3.364 -7.806 -6.109 1.00 16.66 N ATOM 755 CA GLU A 50 4.807 -7.821 -6.280 1.00 16.66 C ATOM 756 C GLU A 50 5.111 -7.616 -7.756 1.00 16.66 C ATOM 757 O GLU A 50 6.228 -7.851 -8.218 1.00 16.66 O ATOM 758 CB GLU A 50 5.391 -9.156 -5.796 1.00 50.00 C ATOM 759 CG GLU A 50 6.109 -8.954 -4.458 1.00 50.00 C ATOM 760 CD GLU A 50 6.722 -10.269 -3.990 1.00 50.00 C ATOM 761 OE1 GLU A 50 7.933 -10.318 -3.847 1.00 50.00 O ATOM 762 OE2 GLU A 50 5.971 -11.207 -3.779 1.00 50.00 O ATOM 763 HA GLU A 50 5.261 -7.025 -5.689 1.00 0.00 H ATOM 764 HB2 GLU A 50 4.585 -9.879 -5.669 1.00 0.00 H ATOM 765 HB3 GLU A 50 6.100 -9.530 -6.535 1.00 0.00 H ATOM 766 HG2 GLU A 50 6.897 -8.211 -4.580 1.00 0.00 H ATOM 767 HG3 GLU A 50 5.394 -8.604 -3.714 1.00 0.00 H ATOM 768 H GLU A 50 2.760 -7.962 -6.942 1.00 0.00 H ATOM 769 N TYR A 51 4.091 -7.172 -8.487 1.00 16.66 N ATOM 770 CA TYR A 51 4.229 -6.930 -9.910 1.00 16.66 C ATOM 771 C TYR A 51 5.144 -5.761 -10.165 1.00 16.66 C ATOM 772 O TYR A 51 5.169 -4.788 -9.412 1.00 16.66 O ATOM 773 CB TYR A 51 2.870 -6.618 -10.542 1.00 16.66 C ATOM 774 CG TYR A 51 3.083 -5.896 -11.858 1.00 16.66 C ATOM 775 CD1 TYR A 51 3.360 -4.520 -11.864 1.00 16.66 C ATOM 776 CD2 TYR A 51 3.012 -6.597 -13.066 1.00 16.66 C ATOM 777 CE1 TYR A 51 3.562 -3.850 -13.076 1.00 16.66 C ATOM 778 CE2 TYR A 51 3.216 -5.926 -14.278 1.00 16.66 C ATOM 779 CZ TYR A 51 3.489 -4.554 -14.284 1.00 16.66 C ATOM 780 OH TYR A 51 3.677 -3.897 -15.483 1.00 16.66 O ATOM 781 HA TYR A 51 4.646 -7.834 -10.354 1.00 0.00 H ATOM 782 HB3 TYR A 51 2.292 -5.985 -9.869 1.00 0.00 H ATOM 783 HB2 TYR A 51 2.329 -7.547 -10.720 1.00 0.00 H ATOM 784 HD2 TYR A 51 2.798 -7.666 -13.064 1.00 0.00 H ATOM 785 HE2 TYR A 51 3.162 -6.474 -15.219 1.00 0.00 H ATOM 786 HE1 TYR A 51 3.776 -2.781 -13.079 1.00 0.00 H ATOM 787 HD1 TYR A 51 3.418 -3.972 -10.923 1.00 0.00 H ATOM 788 HH TYR A 51 3.859 -2.940 -15.308 1.00 0.00 H ATOM 789 H TYR A 51 3.175 -6.995 -8.027 1.00 0.00 H ATOM 790 N VAL A 52 5.854 -5.852 -11.267 1.00 16.66 N ATOM 791 CA VAL A 52 6.737 -4.792 -11.679 1.00 16.66 C ATOM 792 C VAL A 52 6.481 -4.491 -13.135 1.00 16.66 C ATOM 793 O VAL A 52 5.909 -5.311 -13.854 1.00 16.66 O ATOM 794 CB VAL A 52 8.192 -5.158 -11.463 1.00 50.00 C ATOM 795 CG1 VAL A 52 9.033 -3.889 -11.668 1.00 50.00 C ATOM 796 CG2 VAL A 52 8.361 -5.714 -10.033 1.00 50.00 C ATOM 797 HA VAL A 52 6.536 -3.910 -11.071 1.00 0.00 H ATOM 798 HB VAL A 52 8.520 -5.923 -12.167 1.00 0.00 H ATOM 799 HG11 VAL A 52 8.884 -3.515 -12.681 1.00 0.00 H ATOM 800 HG12 VAL A 52 8.724 -3.130 -10.950 1.00 0.00 H ATOM 801 HG13 VAL A 52 10.087 -4.125 -11.518 1.00 0.00 H ATOM 802 HG21 VAL A 52 8.061 -4.954 -9.311 1.00 0.00 H ATOM 803 HG22 VAL A 52 7.736 -6.599 -9.912 1.00 0.00 H ATOM 804 HG23 VAL A 52 9.405 -5.980 -9.869 1.00 0.00 H ATOM 805 H VAL A 52 5.777 -6.707 -11.854 1.00 0.00 H ATOM 806 N CYS A 53 6.882 -3.317 -13.568 1.00 16.66 N ATOM 807 CA CYS A 53 6.669 -2.930 -14.912 1.00 16.66 C ATOM 808 C CYS A 53 7.706 -3.539 -15.791 1.00 16.66 C ATOM 809 O CYS A 53 8.800 -3.884 -15.348 1.00 16.66 O ATOM 810 CB CYS A 53 6.691 -1.423 -15.054 1.00 16.66 C ATOM 811 SG CYS A 53 8.195 -0.669 -14.267 1.00 16.66 S ATOM 812 HA CYS A 53 5.685 -3.288 -15.216 1.00 0.00 H ATOM 813 HB2 CYS A 53 5.801 -1.012 -14.578 1.00 0.00 H ATOM 814 HB3 CYS A 53 6.684 -1.169 -16.114 1.00 0.00 H ATOM 815 H CYS A 53 7.362 -2.665 -12.915 1.00 0.00 H ATOM 816 N PRO A 54 7.382 -3.683 -17.014 1.00 16.66 N ATOM 817 CA PRO A 54 8.294 -4.280 -17.993 1.00 16.66 C ATOM 818 C PRO A 54 9.333 -3.273 -18.448 1.00 16.66 C ATOM 819 O PRO A 54 10.427 -3.636 -18.879 1.00 16.66 O ATOM 820 CB PRO A 54 7.329 -4.660 -19.082 1.00 16.66 C ATOM 821 CG PRO A 54 6.358 -3.547 -19.106 1.00 16.66 C ATOM 822 CD PRO A 54 6.096 -3.283 -17.639 1.00 16.66 C ATOM 823 HA PRO A 54 8.887 -5.119 -17.628 1.00 0.00 H ATOM 824 HD3 PRO A 54 5.879 -2.230 -17.459 1.00 0.00 H ATOM 825 HD2 PRO A 54 5.270 -3.891 -17.269 1.00 0.00 H ATOM 826 HG3 PRO A 54 5.442 -3.838 -19.620 1.00 0.00 H ATOM 827 HG2 PRO A 54 6.782 -2.668 -19.592 1.00 0.00 H ATOM 828 HB2 PRO A 54 7.841 -4.748 -20.040 1.00 0.00 H ATOM 829 HB3 PRO A 54 6.833 -5.602 -18.849 1.00 0.00 H ATOM 830 N GLN A 55 8.991 -2.001 -18.305 1.00 16.66 N ATOM 831 CA GLN A 55 9.906 -0.934 -18.658 1.00 16.66 C ATOM 832 C GLN A 55 10.987 -0.851 -17.595 1.00 16.66 C ATOM 833 O GLN A 55 12.161 -0.631 -17.892 1.00 16.66 O ATOM 834 CB GLN A 55 9.155 0.393 -18.743 1.00 16.66 C ATOM 835 CG GLN A 55 10.109 1.495 -19.204 1.00 16.66 C ATOM 836 CD GLN A 55 9.375 2.828 -19.248 1.00 50.00 C ATOM 837 OE1 GLN A 55 8.198 2.881 -19.602 1.00 50.00 O ATOM 838 NE2 GLN A 55 10.002 3.915 -18.896 1.00 50.00 N ATOM 839 HA GLN A 55 10.356 -1.139 -19.629 1.00 0.00 H ATOM 840 HB2 GLN A 55 8.335 0.301 -19.456 1.00 0.00 H ATOM 841 HB3 GLN A 55 8.755 0.647 -17.761 1.00 0.00 H ATOM 842 HG2 GLN A 55 10.945 1.565 -18.508 1.00 0.00 H ATOM 843 HG3 GLN A 55 10.485 1.256 -20.199 1.00 0.00 H ATOM 844 HE22 GLN A 55 10.997 3.868 -18.597 1.00 0.00 H ATOM 845 HE21 GLN A 55 9.507 4.830 -18.914 1.00 0.00 H ATOM 846 H GLN A 55 8.049 -1.764 -17.933 1.00 0.00 H ATOM 847 N CYS A 56 10.570 -1.038 -16.343 1.00 16.66 N ATOM 848 CA CYS A 56 11.494 -0.992 -15.222 1.00 16.66 C ATOM 849 C CYS A 56 12.129 -2.364 -14.986 1.00 16.66 C ATOM 850 O CYS A 56 13.345 -2.476 -14.829 1.00 16.66 O ATOM 851 CB CYS A 56 10.772 -0.531 -13.946 1.00 16.66 C ATOM 852 SG CYS A 56 8.935 -0.644 -14.136 1.00 16.66 S ATOM 853 HA CYS A 56 12.280 -0.277 -15.465 1.00 0.00 H ATOM 854 HB2 CYS A 56 11.045 0.503 -13.737 1.00 0.00 H ATOM 855 HB3 CYS A 56 11.083 -1.163 -13.114 1.00 0.00 H ATOM 856 H CYS A 56 9.562 -1.221 -16.164 1.00 0.00 H ATOM 857 N GLN A 57 11.297 -3.402 -14.952 1.00 16.66 N ATOM 858 CA GLN A 57 11.786 -4.761 -14.721 1.00 16.66 C ATOM 859 C GLN A 57 12.881 -5.126 -15.718 1.00 16.66 C ATOM 860 O GLN A 57 13.778 -5.909 -15.402 1.00 16.66 O ATOM 861 CB GLN A 57 10.637 -5.766 -14.827 1.00 25.00 C ATOM 862 CG GLN A 57 11.133 -7.156 -14.424 1.00 25.00 C ATOM 863 CD GLN A 57 10.009 -8.174 -14.579 1.00 50.00 C ATOM 864 OE1 GLN A 57 9.123 -8.258 -13.726 1.00 50.00 O ATOM 865 NE2 GLN A 57 9.991 -8.959 -15.621 1.00 50.00 N ATOM 866 HA GLN A 57 12.205 -4.799 -13.716 1.00 0.00 H ATOM 867 HB2 GLN A 57 9.827 -5.463 -14.164 1.00 0.00 H ATOM 868 HB3 GLN A 57 10.273 -5.794 -15.854 1.00 0.00 H ATOM 869 HG2 GLN A 57 11.969 -7.441 -15.063 1.00 0.00 H ATOM 870 HG3 GLN A 57 11.461 -7.135 -13.385 1.00 0.00 H ATOM 871 HE22 GLN A 57 10.739 -8.887 -16.340 1.00 0.00 H ATOM 872 HE21 GLN A 57 9.228 -9.657 -15.733 1.00 0.00 H ATOM 873 H GLN A 57 10.279 -3.244 -15.092 1.00 0.00 H ATOM 874 N SER A 58 12.803 -4.569 -16.921 1.00 25.00 N ATOM 875 CA SER A 58 13.800 -4.865 -17.944 1.00 25.00 C ATOM 876 C SER A 58 15.205 -4.732 -17.367 1.00 25.00 C ATOM 877 O SER A 58 16.101 -5.504 -17.707 1.00 25.00 O ATOM 878 CB SER A 58 13.641 -3.911 -19.127 1.00 50.00 C ATOM 879 OG SER A 58 14.539 -4.291 -20.160 1.00 50.00 O ATOM 880 HA SER A 58 13.650 -5.889 -18.286 1.00 0.00 H ATOM 881 HB2 SER A 58 13.863 -2.893 -18.807 1.00 0.00 H ATOM 882 HB3 SER A 58 12.617 -3.958 -19.498 1.00 0.00 H ATOM 883 HG SER A 58 15.468 -4.247 -19.821 1.00 0.00 H ATOM 884 H SER A 58 12.023 -3.915 -17.136 1.00 0.00 H ATOM 885 N THR A 59 15.389 -3.755 -16.484 1.00 50.00 N ATOM 886 CA THR A 59 16.691 -3.543 -15.861 1.00 50.00 C ATOM 887 C THR A 59 17.006 -4.676 -14.891 1.00 50.00 C ATOM 888 O THR A 59 18.153 -5.110 -14.781 1.00 50.00 O ATOM 889 CB THR A 59 16.702 -2.209 -15.113 1.00 50.00 C ATOM 890 OG1 THR A 59 15.797 -2.275 -14.019 1.00 50.00 O ATOM 891 CG2 THR A 59 16.281 -1.085 -16.059 1.00 50.00 C ATOM 892 HA THR A 59 17.451 -3.525 -16.643 1.00 0.00 H ATOM 893 HB THR A 59 17.707 -2.009 -14.743 1.00 0.00 H ATOM 894 HG1 THR A 59 14.885 -2.458 -14.357 1.00 0.00 H ATOM 895 HG23 THR A 59 16.977 -1.037 -16.897 1.00 0.00 H ATOM 896 HG21 THR A 59 15.276 -1.282 -16.431 1.00 0.00 H ATOM 897 HG22 THR A 59 16.291 -0.137 -15.522 1.00 0.00 H ATOM 898 H THR A 59 14.594 -3.133 -16.234 1.00 0.00 H ATOM 899 N GLU A 60 15.981 -5.155 -14.191 1.00 50.00 N ATOM 900 CA GLU A 60 16.161 -6.241 -13.234 1.00 50.00 C ATOM 901 C GLU A 60 16.576 -7.523 -13.949 1.00 50.00 C ATOM 902 O GLU A 60 17.324 -8.331 -13.400 1.00 50.00 O ATOM 903 CB GLU A 60 14.863 -6.480 -12.461 1.00 50.00 C ATOM 904 CG GLU A 60 14.537 -5.246 -11.617 1.00 50.00 C ATOM 905 CD GLU A 60 13.283 -5.502 -10.788 1.00 50.00 C ATOM 906 OE1 GLU A 60 12.973 -4.674 -9.947 1.00 50.00 O ATOM 907 OE2 GLU A 60 12.650 -6.522 -11.005 1.00 50.00 O ATOM 908 HA GLU A 60 16.949 -5.957 -12.537 1.00 0.00 H ATOM 909 HB2 GLU A 60 14.050 -6.665 -13.163 1.00 0.00 H ATOM 910 HB3 GLU A 60 14.982 -7.345 -11.809 1.00 0.00 H ATOM 911 HG2 GLU A 60 15.373 -5.031 -10.952 1.00 0.00 H ATOM 912 HG3 GLU A 60 14.369 -4.393 -12.274 1.00 0.00 H ATOM 913 H GLU A 60 15.034 -4.748 -14.329 1.00 0.00 H ATOM 914 N ASP A 61 16.077 -7.698 -15.171 1.00 50.00 N ATOM 915 CA ASP A 61 16.386 -8.883 -15.973 1.00 50.00 C ATOM 916 C ASP A 61 16.623 -10.104 -15.089 1.00 50.00 C ATOM 917 O ASP A 61 17.537 -10.891 -15.333 1.00 50.00 O ATOM 918 CB ASP A 61 17.616 -8.622 -16.851 1.00 50.00 C ATOM 919 CG ASP A 61 18.874 -8.468 -15.998 1.00 50.00 C ATOM 920 OD1 ASP A 61 18.874 -8.948 -14.879 1.00 50.00 O ATOM 921 OD2 ASP A 61 19.821 -7.870 -16.482 1.00 50.00 O ATOM 922 HA ASP A 61 15.527 -9.090 -16.611 1.00 0.00 H ATOM 923 HB2 ASP A 61 17.750 -9.459 -17.536 1.00 0.00 H ATOM 924 HB3 ASP A 61 17.459 -7.708 -17.423 1.00 0.00 H ATOM 925 H ASP A 61 15.449 -6.971 -15.568 1.00 0.00 H ATOM 926 N ALA A 62 15.792 -10.256 -14.062 1.00 50.00 N ATOM 927 CA ALA A 62 15.918 -11.385 -13.146 1.00 50.00 C ATOM 928 C ALA A 62 17.382 -11.628 -12.790 1.00 50.00 C ATOM 929 O ALA A 62 18.007 -10.714 -12.282 1.00 0.00 O ATOM 930 CB ALA A 62 15.332 -12.644 -13.789 1.00 50.00 C ATOM 931 HA ALA A 62 15.369 -11.152 -12.234 1.00 0.00 H ATOM 932 OXT ALA A 62 17.855 -12.726 -13.032 1.00 0.00 O ATOM 933 HB1 ALA A 62 14.278 -12.479 -14.015 1.00 0.00 H ATOM 934 HB2 ALA A 62 15.872 -12.865 -14.710 1.00 0.00 H ATOM 935 HB3 ALA A 62 15.430 -13.482 -13.099 1.00 0.00 H ATOM 936 H ALA A 62 15.038 -9.557 -13.909 1.00 0.00 H TER 937 ALA A 62 HETATM 938 ZN ZN A 1 8.636 -1.084 -13.021 1.00 0.00 ZN HETATM 939 ZN ZN A 2 -1.912 -0.207 -22.439 1.00 0.00 ZN HETATM 940 N ALA A 3 3.194 -5.023 -4.242 1.00 0.24 N HETATM 941 CA ALA A 3 3.530 -4.099 -5.364 1.00 0.06 C HETATM 942 C ALA A 3 2.546 -2.939 -5.377 1.00 0.23 C HETATM 943 O ALA A 3 1.563 -2.933 -4.635 1.00 -0.39 O HETATM 944 N ALA A 3 2.812 -1.965 -6.240 1.00 -0.26 N HETATM 945 CA ALA A 3 1.936 -0.808 -6.362 1.00 0.13 C HETATM 946 C ALA A 3 0.812 -1.097 -7.342 1.00 0.20 C HETATM 947 O ALA A 3 0.636 -0.372 -8.322 1.00 -0.39 O HETATM 948 N ALA A 3 0.046 -2.152 -7.087 1.00 -0.26 N HETATM 949 CA ALA A 3 -1.048 -2.481 -7.983 1.00 0.16 C HETATM 950 C ALA A 3 -2.051 -1.340 -7.993 1.00 0.21 C HETATM 951 O ALA A 3 -2.471 -0.859 -6.941 1.00 -0.39 O HETATM 952 N ALA A 3 -2.421 -0.903 -9.188 1.00 -0.26 N HETATM 953 CA ALA A 3 -3.365 0.194 -9.341 1.00 0.13 C HETATM 954 CB ALA A 3 -2.732 1.260 -10.247 1.00 -0.01 C HETATM 955 CG ALA A 3 -2.884 2.652 -9.638 1.00 -0.04 C HETATM 956 CD ALA A 3 -2.543 3.713 -10.697 1.00 -0.01 C HETATM 957 CE ALA A 3 -3.803 4.057 -11.506 1.00 -0.03 C HETATM 958 NZ ALA A 3 -3.464 4.785 -12.784 1.00 0.24 N HETATM 959 CM1 ALA A 3 -3.048 3.818 -13.838 1.00 -0.04 C HETATM 960 H38 ALA A 3 -2.805 4.364 -14.761 1.00 0.08 H HETATM 961 H39 ALA A 3 -3.870 3.114 -14.034 1.00 0.08 H HETATM 962 H40 ALA A 3 -2.162 3.262 -13.497 1.00 0.08 H HETATM 963 CM2 ALA A 3 -2.409 5.807 -12.557 1.00 -0.04 C HETATM 964 H41 ALA A 3 -2.739 6.508 -11.776 1.00 0.08 H HETATM 965 H42 ALA A 3 -2.226 6.359 -13.491 1.00 0.08 H HETATM 966 H43 ALA A 3 -1.481 5.311 -12.236 1.00 0.08 H HETATM 967 CM3 ALA A 3 -4.668 5.473 -13.268 1.00 -0.04 C HETATM 968 H44 ALA A 3 -5.466 4.736 -13.444 1.00 0.08 H HETATM 969 H45 ALA A 3 -4.439 5.996 -14.208 1.00 0.08 H HETATM 970 H46 ALA A 3 -5.002 6.202 -12.515 1.00 0.08 H HETATM 971 H36 ALA A 3 -4.456 4.696 -10.894 1.00 0.08 H HETATM 972 H37 ALA A 3 -4.332 3.125 -11.756 1.00 0.08 H HETATM 973 H34 ALA A 3 -1.770 3.320 -11.373 1.00 0.03 H HETATM 974 H35 ALA A 3 -2.168 4.620 -10.200 1.00 0.03 H HETATM 975 H32 ALA A 3 -2.200 2.755 -8.782 1.00 0.03 H HETATM 976 H33 ALA A 3 -3.921 2.793 -9.298 1.00 0.03 H HETATM 977 H30 ALA A 3 -3.229 1.240 -11.228 1.00 0.03 H HETATM 978 H31 ALA A 3 -1.662 1.037 -10.373 1.00 0.03 H HETATM 979 C ALA A 3 -4.662 -0.342 -9.947 1.00 0.20 C HETATM 980 O ALA A 3 -4.758 -0.534 -11.158 1.00 -0.39 O HETATM 981 N ALA A 3 -5.647 -0.608 -9.090 1.00 -0.26 N HETATM 982 CA ALA A 3 -6.926 -1.156 -9.544 1.00 0.13 C HETATM 983 C ALA A 3 -8.103 -0.342 -9.016 1.00 0.20 C HETATM 984 O ALA A 3 -7.924 0.629 -8.281 1.00 -0.39 O HETATM 985 N ALA A 3 -9.309 -0.748 -9.408 1.00 -0.26 N HETATM 986 CA ALA A 3 -10.525 -0.062 -8.985 1.00 0.16 C HETATM 987 C ALA A 3 -11.560 -1.063 -8.470 1.00 0.21 C HETATM 988 O ALA A 3 -11.501 -2.249 -8.794 1.00 -0.39 O HETATM 989 N ALA A 3 -12.505 -0.575 -7.671 1.00 -0.26 N HETATM 990 CA ALA A 3 -13.549 -1.433 -7.117 1.00 0.13 C HETATM 991 C ALA A 3 -14.832 -0.635 -6.897 1.00 0.20 C HETATM 992 O ALA A 3 -15.550 -0.847 -5.919 1.00 -0.39 O HETATM 993 N ALA A 3 -15.109 0.285 -7.814 1.00 -0.26 N HETATM 994 CA ALA A 3 -16.303 1.121 -7.720 1.00 0.13 C HETATM 995 C ALA A 3 -17.563 0.266 -7.618 1.00 0.20 C HETATM 996 O ALA A 3 -18.520 0.636 -6.939 1.00 -0.39 O HETATM 997 N ALA A 3 -17.561 -0.871 -8.307 1.00 -0.26 N HETATM 998 CA ALA A 3 -18.718 -1.759 -8.296 1.00 0.13 C HETATM 999 C ALA A 3 -19.083 -2.167 -6.871 1.00 0.20 C HETATM 1000 O ALA A 3 -20.260 -2.306 -6.541 1.00 -0.39 O HETATM 1001 N ALA A 3 -18.072 -2.360 -6.029 1.00 -0.26 N HETATM 1002 CA ALA A 3 -18.315 -2.754 -4.645 1.00 0.15 C HETATM 1003 C ALA A 3 -18.670 -1.539 -3.792 1.00 0.21 C HETATM 1004 O ALA A 3 -18.206 -0.429 -4.050 1.00 -0.39 O HETATM 1005 N ALA A 3 -19.492 -1.763 -2.769 1.00 -0.26 N HETATM 1006 CA ALA A 3 -19.900 -0.683 -1.876 1.00 0.16 C HETATM 1007 C ALA A 3 -19.042 -0.680 -0.616 1.00 0.21 C HETATM 1008 O ALA A 3 -18.219 0.213 -0.413 1.00 -0.39 O HETATM 1009 N ALA A 3 -19.242 -1.688 0.227 1.00 -0.27 N HETATM 1010 CA ALA A 3 -18.484 -1.802 1.468 1.00 0.12 C HETATM 1011 C ALA A 3 -19.135 -2.810 2.409 1.00 0.20 C HETATM 1012 O ALA A 3 -20.122 -2.504 3.076 1.00 -0.39 O HETATM 1013 N ALA A 3 -18.577 -4.016 2.455 1.00 -0.27 N HETATM 1014 CA ALA A 3 -19.115 -5.064 3.317 1.00 0.12 C HETATM 1015 C ALA A 3 -18.667 -4.867 4.761 1.00 0.20 C HETATM 1016 O ALA A 3 -17.490 -4.624 5.028 1.00 -0.39 O HETATM 1017 N ALA A 3 -19.612 -4.979 5.690 1.00 -0.26 N HETATM 1018 CA ALA A 3 -19.302 -4.814 7.105 1.00 0.13 C HETATM 1019 C ALA A 3 -18.268 -5.845 7.551 1.00 0.20 C HETATM 1020 O ALA A 3 -17.412 -5.560 8.386 1.00 -0.39 O HETATM 1021 N ALA A 3 -18.358 -7.046 6.985 1.00 -0.27 N HETATM 1022 CA ALA A 3 -17.429 -8.121 7.328 1.00 0.09 C HETATM 1023 C ALA A 3 -16.420 -8.332 6.205 1.00 0.06 C HETATM 1024 O ALA A 3 -15.922 -9.439 6.083 1.00 -0.57 O HETATM 1025 OXT ALA A 3 -16.160 -7.384 5.483 1.00 -0.57 O HETATM 1026 CB ALA A 3 -18.200 -9.419 7.571 1.00 -0.03 C HETATM 1027 H126 ALA A 3 -17.494 -10.222 7.828 1.00 0.03 H HETATM 1028 H127 ALA A 3 -18.752 -9.694 6.660 1.00 0.03 H HETATM 1029 H128 ALA A 3 -18.909 -9.275 8.399 1.00 0.03 H HETATM 1030 H125 ALA A 3 -16.890 -7.846 8.246 1.00 0.07 H HETATM 1031 H124 ALA A 3 -19.076 -7.217 6.311 1.00 0.19 H HETATM 1032 CB ALA A 3 -20.572 -4.970 7.942 1.00 -0.01 C HETATM 1033 CG ALA A 3 -21.550 -3.843 7.599 1.00 -0.04 C HETATM 1034 CD ALA A 3 -22.831 -4.004 8.424 1.00 -0.01 C HETATM 1035 CE ALA A 3 -22.533 -3.760 9.908 1.00 -0.04 C HETATM 1036 NZ ALA A 3 -23.781 -3.319 10.594 1.00 0.22 N HETATM 1037 H121 ALA A 3 -23.589 -3.158 11.570 1.00 0.20 H HETATM 1038 H122 ALA A 3 -24.485 -4.035 10.504 1.00 0.20 H HETATM 1039 H123 ALA A 3 -24.113 -2.466 10.172 1.00 0.20 H HETATM 1040 H119 ALA A 3 -21.765 -2.979 10.005 1.00 0.08 H HETATM 1041 H120 ALA A 3 -22.170 -4.691 10.368 1.00 0.08 H HETATM 1042 H117 ALA A 3 -23.222 -5.024 8.294 1.00 0.03 H HETATM 1043 H118 ALA A 3 -23.581 -3.277 8.079 1.00 0.03 H HETATM 1044 H115 ALA A 3 -21.797 -3.886 6.528 1.00 0.03 H HETATM 1045 H116 ALA A 3 -21.086 -2.873 7.830 1.00 0.03 H HETATM 1046 H113 ALA A 3 -20.316 -4.920 9.011 1.00 0.03 H HETATM 1047 H114 ALA A 3 -21.040 -5.941 7.722 1.00 0.03 H HETATM 1048 H112 ALA A 3 -18.891 -3.806 7.263 1.00 0.08 H HETATM 1049 H111 ALA A 3 -20.552 -5.180 5.413 1.00 0.19 H HETATM 1050 H109 ALA A 3 -18.759 -6.042 2.960 1.00 0.08 H HETATM 1051 H110 ALA A 3 -20.214 -5.036 3.274 1.00 0.08 H HETATM 1052 H108 ALA A 3 -17.775 -4.208 1.889 1.00 0.19 H HETATM 1053 H106 ALA A 3 -18.449 -0.819 1.961 1.00 0.08 H HETATM 1054 H107 ALA A 3 -17.461 -2.133 1.237 1.00 0.08 H HETATM 1055 H105 ALA A 3 -19.926 -2.383 0.006 1.00 0.19 H HETATM 1056 CB ALA A 3 -21.373 -0.852 -1.493 1.00 0.09 C HETATM 1057 OG1 ALA A 3 -22.178 -0.765 -2.661 1.00 -0.39 O HETATM 1058 H101 ALA A 3 -23.092 -0.870 -2.423 1.00 0.21 H HETATM 1059 CG2 ALA A 3 -21.776 0.248 -0.510 1.00 -0.03 C HETATM 1060 H102 ALA A 3 -22.834 0.125 -0.236 1.00 0.03 H HETATM 1061 H103 ALA A 3 -21.631 1.232 -0.981 1.00 0.03 H HETATM 1062 H104 ALA A 3 -21.153 0.178 0.394 1.00 0.03 H HETATM 1063 H100 ALA A 3 -21.518 -1.835 -1.021 1.00 0.06 H HETATM 1064 H99 ALA A 3 -19.772 0.277 -2.397 1.00 0.08 H HETATM 1065 H98 ALA A 3 -19.836 -2.688 -2.610 1.00 0.19 H HETATM 1066 CB ALA A 3 -17.075 -3.436 -4.069 1.00 0.08 C HETATM 1067 OG ALA A 3 -16.080 -2.455 -3.807 1.00 -0.39 O HETATM 1068 H97 ALA A 3 -15.853 -2.011 -4.616 1.00 0.21 H HETATM 1069 H95 ALA A 3 -16.688 -4.168 -4.793 1.00 0.06 H HETATM 1070 H96 ALA A 3 -17.339 -3.950 -3.133 1.00 0.06 H HETATM 1071 H94 ALA A 3 -19.156 -3.462 -4.622 1.00 0.08 H HETATM 1072 H93 ALA A 3 -17.133 -2.233 -6.348 1.00 0.19 H HETATM 1073 CB ALA A 3 -18.424 -3.011 -9.130 1.00 -0.01 C HETATM 1074 CG ALA A 3 -17.359 -3.861 -8.431 1.00 -0.04 C HETATM 1075 CD ALA A 3 -16.967 -5.031 -9.335 1.00 -0.01 C HETATM 1076 CE ALA A 3 -16.177 -6.060 -8.527 1.00 -0.04 C HETATM 1077 NZ ALA A 3 -15.098 -5.371 -7.763 1.00 0.22 N HETATM 1078 H90 ALA A 3 -14.577 -6.050 -7.230 1.00 0.20 H HETATM 1079 H91 ALA A 3 -15.508 -4.696 -7.137 1.00 0.20 H HETATM 1080 H92 ALA A 3 -14.479 -4.901 -8.405 1.00 0.20 H HETATM 1081 H88 ALA A 3 -15.729 -6.797 -9.210 1.00 0.08 H HETATM 1082 H89 ALA A 3 -16.852 -6.572 -7.826 1.00 0.08 H HETATM 1083 H86 ALA A 3 -16.346 -4.661 -10.164 1.00 0.03 H HETATM 1084 H87 ALA A 3 -17.875 -5.502 -9.739 1.00 0.03 H HETATM 1085 H84 ALA A 3 -17.762 -4.248 -7.484 1.00 0.03 H HETATM 1086 H85 ALA A 3 -16.473 -3.243 -8.226 1.00 0.03 H HETATM 1087 H82 ALA A 3 -18.058 -2.711 -10.123 1.00 0.03 H HETATM 1088 H83 ALA A 3 -19.346 -3.600 -9.242 1.00 0.03 H HETATM 1089 H81 ALA A 3 -19.573 -1.228 -8.740 1.00 0.08 H HETATM 1090 H80 ALA A 3 -16.753 -1.121 -8.841 1.00 0.19 H HETATM 1091 CB ALA A 3 -16.400 2.026 -8.949 1.00 -0.01 C HETATM 1092 CG ALA A 3 -17.564 3.004 -8.775 1.00 -0.02 C HETATM 1093 CD ALA A 3 -17.646 3.929 -9.991 1.00 0.06 C HETATM 1094 NE ALA A 3 -18.123 3.191 -11.157 1.00 -0.27 N HETATM 1095 CZ ALA A 3 -17.279 2.618 -12.010 1.00 0.29 C HETATM 1096 NH1 ALA A 3 -15.991 2.697 -11.813 1.00 -0.28 N HETATM 1097 H76 ALA A 3 -15.340 2.252 -12.476 1.00 0.26 H HETATM 1098 H77 ALA A 3 -15.625 3.204 -10.995 1.00 0.26 H HETATM 1099 NH2 ALA A 3 -17.739 1.969 -13.045 1.00 -0.28 N HETATM 1100 H78 ALA A 3 -18.755 1.905 -13.203 1.00 0.26 H HETATM 1101 H79 ALA A 3 -17.086 1.521 -13.704 1.00 0.26 H HETATM 1102 H75 ALA A 3 -19.137 3.112 -11.323 1.00 0.26 H HETATM 1103 H73 ALA A 3 -16.647 4.338 -10.204 1.00 0.07 H HETATM 1104 H74 ALA A 3 -18.341 4.753 -9.774 1.00 0.07 H HETATM 1105 H71 ALA A 3 -17.404 3.606 -7.868 1.00 0.03 H HETATM 1106 H72 ALA A 3 -18.504 2.441 -8.680 1.00 0.03 H HETATM 1107 H69 ALA A 3 -16.570 1.410 -9.845 1.00 0.03 H HETATM 1108 H70 ALA A 3 -15.462 2.590 -9.064 1.00 0.03 H HETATM 1109 H68 ALA A 3 -16.226 1.747 -6.819 1.00 0.08 H HETATM 1110 H67 ALA A 3 -14.486 0.408 -8.586 1.00 0.19 H HETATM 1111 CB ALA A 3 -13.085 -2.034 -5.790 1.00 -0.02 C HETATM 1112 H64 ALA A 3 -13.878 -2.678 -5.382 1.00 0.03 H HETATM 1113 H65 ALA A 3 -12.867 -1.225 -5.077 1.00 0.03 H HETATM 1114 H66 ALA A 3 -12.177 -2.632 -5.956 1.00 0.03 H HETATM 1115 H63 ALA A 3 -13.753 -2.248 -7.827 1.00 0.08 H HETATM 1116 H62 ALA A 3 -12.501 0.399 -7.445 1.00 0.19 H HETATM 1117 CB ALA A 3 -11.108 0.720 -10.167 1.00 0.09 C HETATM 1118 OG1 ALA A 3 -12.076 1.646 -9.691 1.00 -0.39 O HETATM 1119 H58 ALA A 3 -12.437 2.130 -10.424 1.00 0.21 H HETATM 1120 CG2 ALA A 3 -11.763 -0.247 -11.156 1.00 -0.03 C HETATM 1121 H59 ALA A 3 -12.179 0.320 -12.002 1.00 0.03 H HETATM 1122 H60 ALA A 3 -12.570 -0.797 -10.651 1.00 0.03 H HETATM 1123 H61 ALA A 3 -11.010 -0.958 -11.527 1.00 0.03 H HETATM 1124 H57 ALA A 3 -10.300 1.267 -10.675 1.00 0.06 H HETATM 1125 H56 ALA A 3 -10.275 0.640 -8.176 1.00 0.08 H HETATM 1126 H55 ALA A 3 -9.383 -1.544 -10.008 1.00 0.19 H HETATM 1127 CB ALA A 3 -7.062 -2.609 -9.077 1.00 0.00 C HETATM 1128 CG ALA A 3 -7.068 -2.673 -7.537 1.00 0.04 C HETATM 1129 CD ALA A 3 -5.765 -3.279 -7.024 1.00 0.17 C HETATM 1130 OE1 ALA A 3 -5.643 -4.500 -6.927 1.00 -0.40 O HETATM 1131 NE2 ALA A 3 -4.779 -2.492 -6.690 1.00 -0.30 N HETATM 1132 H53 ALA A 3 -3.921 -2.880 -6.353 1.00 0.18 H HETATM 1133 H54 ALA A 3 -4.881 -1.500 -6.771 1.00 0.18 H HETATM 1134 H51 ALA A 3 -7.912 -3.294 -7.204 1.00 0.05 H HETATM 1135 H52 ALA A 3 -7.178 -1.656 -7.133 1.00 0.05 H HETATM 1136 H49 ALA A 3 -6.215 -3.196 -9.462 1.00 0.03 H HETATM 1137 H50 ALA A 3 -8.003 -3.028 -9.462 1.00 0.03 H HETATM 1138 H48 ALA A 3 -6.947 -1.131 -10.643 1.00 0.08 H HETATM 1139 H47 ALA A 3 -5.509 -0.429 -8.116 1.00 0.19 H HETATM 1140 H29 ALA A 3 -3.582 0.636 -8.357 1.00 0.08 H HETATM 1141 H28 ALA A 3 -2.042 -1.338 -10.005 1.00 0.19 H HETATM 1142 CB ALA A 3 -1.742 -3.778 -7.559 1.00 0.09 C HETATM 1143 OG1 ALA A 3 -0.766 -4.795 -7.377 1.00 -0.39 O HETATM 1144 H24 ALA A 3 -1.195 -5.601 -7.114 1.00 0.21 H HETATM 1145 CG2 ALA A 3 -2.735 -4.211 -8.649 1.00 -0.03 C HETATM 1146 H25 ALA A 3 -3.232 -5.143 -8.342 1.00 0.03 H HETATM 1147 H26 ALA A 3 -2.194 -4.377 -9.592 1.00 0.03 H HETATM 1148 H27 ALA A 3 -3.489 -3.423 -8.792 1.00 0.03 H HETATM 1149 H23 ALA A 3 -2.282 -3.614 -6.615 1.00 0.06 H HETATM 1150 H22 ALA A 3 -0.645 -2.613 -8.998 1.00 0.08 H HETATM 1151 H21 ALA A 3 0.222 -2.717 -6.281 1.00 0.19 H HETATM 1152 CB ALA A 3 2.722 0.408 -6.856 1.00 -0.01 C HETATM 1153 CG ALA A 3 3.620 0.939 -5.742 1.00 -0.02 C HETATM 1154 CD ALA A 3 4.273 2.243 -6.207 1.00 0.06 C HETATM 1155 NE ALA A 3 5.242 1.977 -7.263 1.00 -0.27 N HETATM 1156 CZ ALA A 3 6.512 1.706 -6.976 1.00 0.29 C HETATM 1157 NH1 ALA A 3 6.902 1.645 -5.731 1.00 -0.28 N HETATM 1158 H17 ALA A 3 7.886 1.435 -5.509 1.00 0.26 H HETATM 1159 H18 ALA A 3 6.226 1.807 -4.971 1.00 0.26 H HETATM 1160 NH2 ALA A 3 7.368 1.498 -7.937 1.00 -0.28 N HETATM 1161 H19 ALA A 3 7.061 1.546 -8.919 1.00 0.26 H HETATM 1162 H20 ALA A 3 8.351 1.286 -7.714 1.00 0.26 H HETATM 1163 H16 ALA A 3 4.938 1.999 -8.247 1.00 0.26 H HETATM 1164 H14 ALA A 3 4.785 2.716 -5.356 1.00 0.07 H HETATM 1165 H15 ALA A 3 3.496 2.921 -6.590 1.00 0.07 H HETATM 1166 H12 ALA A 3 4.400 0.198 -5.512 1.00 0.03 H HETATM 1167 H13 ALA A 3 3.017 1.129 -4.842 1.00 0.03 H HETATM 1168 H10 ALA A 3 2.018 1.196 -7.163 1.00 0.03 H HETATM 1169 H11 ALA A 3 3.343 0.115 -7.716 1.00 0.03 H HETATM 1170 H9 ALA A 3 1.506 -0.583 -5.375 1.00 0.08 H HETATM 1171 H8 ALA A 3 3.627 -2.027 -6.816 1.00 0.19 H HETATM 1172 CB ALA A 3 3.446 -4.858 -6.693 1.00 -0.00 C HETATM 1173 H5 ALA A 3 3.694 -4.177 -7.521 1.00 0.03 H HETATM 1174 H6 ALA A 3 2.426 -5.246 -6.830 1.00 0.03 H HETATM 1175 H7 ALA A 3 4.158 -5.696 -6.682 1.00 0.03 H HETATM 1176 H4 ALA A 3 4.551 -3.712 -5.227 1.00 0.11 H HETATM 1177 H1 ALA A 3 3.846 -5.792 -4.233 1.00 0.20 H HETATM 1178 H2 ALA A 3 2.259 -5.377 -4.367 1.00 0.20 H HETATM 1179 H3 ALA A 3 3.251 -4.524 -3.368 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 154 153 183 570 939 CONECT 183 154 182 570 939 CONECT 391 437 811 852 938 CONECT 391 390 CONECT 432 410 433 441 938 CONECT 437 391 811 852 938 CONECT 437 436 CONECT 524 523 526 939 CONECT 570 154 183 569 939 CONECT 806 792 807 815 938 CONECT 811 391 437 810 852 CONECT 852 391 437 811 851 CONECT 938 391 432 437 806 CONECT 939 154 183 524 570 CONECT 940 941 1177 1178 1179 CONECT 941 940 942 1172 1176 CONECT 942 941 943 944 CONECT 943 942 CONECT 944 942 945 1171 CONECT 945 944 946 1152 1170 CONECT 946 945 947 948 CONECT 947 946 CONECT 948 946 949 1151 CONECT 949 948 950 1142 1150 CONECT 950 949 951 952 CONECT 951 950 CONECT 952 950 953 1141 CONECT 953 952 954 979 1140 CONECT 954 953 955 977 978 CONECT 955 954 956 975 976 CONECT 956 955 957 973 974 CONECT 957 956 958 971 972 CONECT 958 957 959 963 967 CONECT 959 958 960 961 962 CONECT 960 959 CONECT 961 959 CONECT 962 959 CONECT 963 958 964 965 966 CONECT 964 963 CONECT 965 963 CONECT 966 963 CONECT 967 958 968 969 970 CONECT 968 967 CONECT 969 967 CONECT 970 967 CONECT 971 957 CONECT 972 957 CONECT 973 956 CONECT 974 956 CONECT 975 955 CONECT 976 955 CONECT 977 954 CONECT 978 954 CONECT 979 953 980 981 CONECT 980 979 CONECT 981 979 982 1139 CONECT 982 981 983 1127 1138 CONECT 983 982 984 985 CONECT 984 983 CONECT 985 983 986 1126 CONECT 986 985 987 1117 1125 CONECT 987 986 988 989 CONECT 988 987 CONECT 989 987 990 1116 CONECT 990 989 991 1111 1115 CONECT 991 990 992 993 CONECT 992 991 CONECT 993 991 994 1110 CONECT 994 993 995 1091 1109 CONECT 995 994 996 997 CONECT 996 995 CONECT 997 995 998 1090 CONECT 998 997 999 1073 1089 CONECT 999 998 1000 1001 CONECT 1000 999 CONECT 1001 999 1002 1072 CONECT 1002 1001 1003 1066 1071 CONECT 1003 1002 1004 1005 CONECT 1004 1003 CONECT 1005 1003 1006 1065 CONECT 1006 1005 1007 1056 1064 CONECT 1007 1006 1008 1009 CONECT 1008 1007 CONECT 1009 1007 1010 1055 CONECT 1010 1009 1011 1053 1054 CONECT 1011 1010 1012 1013 CONECT 1012 1011 CONECT 1013 1011 1014 1052 CONECT 1014 1013 1015 1050 1051 CONECT 1015 1014 1016 1017 CONECT 1016 1015 CONECT 1017 1015 1018 1049 CONECT 1018 1017 1019 1032 1048 CONECT 1019 1018 1020 1021 CONECT 1020 1019 CONECT 1021 1019 1022 1031 CONECT 1022 1021 1023 1026 1030 CONECT 1023 1022 1024 1025 CONECT 1024 1023 CONECT 1025 1023 CONECT 1026 1022 1027 1028 1029 CONECT 1027 1026 CONECT 1028 1026 CONECT 1029 1026 CONECT 1030 1022 CONECT 1031 1021 CONECT 1032 1018 1033 1046 1047 CONECT 1033 1032 1034 1044 1045 CONECT 1034 1033 1035 1042 1043 CONECT 1035 1034 1036 1040 1041 CONECT 1036 1035 1037 1038 1039 CONECT 1037 1036 CONECT 1038 1036 CONECT 1039 1036 CONECT 1040 1035 CONECT 1041 1035 CONECT 1042 1034 CONECT 1043 1034 CONECT 1044 1033 CONECT 1045 1033 CONECT 1046 1032 CONECT 1047 1032 CONECT 1048 1018 CONECT 1049 1017 CONECT 1050 1014 CONECT 1051 1014 CONECT 1052 1013 CONECT 1053 1010 CONECT 1054 1010 CONECT 1055 1009 CONECT 1056 1006 1057 1059 1063 CONECT 1057 1056 1058 CONECT 1058 1057 CONECT 1059 1056 1060 1061 1062 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1059 CONECT 1063 1056 CONECT 1064 1006 CONECT 1065 1005 CONECT 1066 1002 1067 1069 1070 CONECT 1067 1066 1068 CONECT 1068 1067 CONECT 1069 1066 CONECT 1070 1066 CONECT 1071 1002 CONECT 1072 1001 CONECT 1073 998 1074 1087 1088 CONECT 1074 1073 1075 1085 1086 CONECT 1075 1074 1076 1083 1084 CONECT 1076 1075 1077 1081 1082 CONECT 1077 1076 1078 1079 1080 CONECT 1078 1077 CONECT 1079 1077 CONECT 1080 1077 CONECT 1081 1076 CONECT 1082 1076 CONECT 1083 1075 CONECT 1084 1075 CONECT 1085 1074 CONECT 1086 1074 CONECT 1087 1073 CONECT 1088 1073 CONECT 1089 998 CONECT 1090 997 CONECT 1091 994 1092 1107 1108 CONECT 1092 1091 1093 1105 1106 CONECT 1093 1092 1094 1103 1104 CONECT 1094 1093 1095 1102 CONECT 1095 1094 1096 1099 CONECT 1096 1095 1097 1098 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1095 1100 1101 CONECT 1100 1099 CONECT 1101 1099 CONECT 1102 1094 CONECT 1103 1093 CONECT 1104 1093 CONECT 1105 1092 CONECT 1106 1092 CONECT 1107 1091 CONECT 1108 1091 CONECT 1109 994 CONECT 1110 993 CONECT 1111 990 1112 1113 1114 CONECT 1112 1111 CONECT 1113 1111 CONECT 1114 1111 CONECT 1115 990 CONECT 1116 989 CONECT 1117 986 1118 1120 1124 CONECT 1118 1117 1119 CONECT 1119 1118 CONECT 1120 1117 1121 1122 1123 CONECT 1121 1120 CONECT 1122 1120 CONECT 1123 1120 CONECT 1124 1117 CONECT 1125 986 CONECT 1126 985 CONECT 1127 982 1128 1136 1137 CONECT 1128 1127 1129 1134 1135 CONECT 1129 1128 1130 1131 CONECT 1130 1129 CONECT 1131 1129 1132 1133 CONECT 1132 1131 CONECT 1133 1131 CONECT 1134 1128 CONECT 1135 1128 CONECT 1136 1127 CONECT 1137 1127 CONECT 1138 982 CONECT 1139 981 CONECT 1140 953 CONECT 1141 952 CONECT 1142 949 1143 1145 1149 CONECT 1143 1142 1144 CONECT 1144 1143 CONECT 1145 1142 1146 1147 1148 CONECT 1146 1145 CONECT 1147 1145 CONECT 1148 1145 CONECT 1149 1142 CONECT 1150 949 CONECT 1151 948 CONECT 1152 945 1153 1168 1169 CONECT 1153 1152 1154 1166 1167 CONECT 1154 1153 1155 1164 1165 CONECT 1155 1154 1156 1163 CONECT 1156 1155 1157 1160 CONECT 1157 1156 1158 1159 CONECT 1158 1157 CONECT 1159 1157 CONECT 1160 1156 1161 1162 CONECT 1161 1160 CONECT 1162 1160 CONECT 1163 1155 CONECT 1164 1154 CONECT 1165 1154 CONECT 1166 1153 CONECT 1167 1153 CONECT 1168 1152 CONECT 1169 1152 CONECT 1170 945 CONECT 1171 944 CONECT 1172 941 1173 1174 1175 CONECT 1173 1172 CONECT 1174 1172 CONECT 1175 1172 CONECT 1176 941 CONECT 1177 940 CONECT 1178 940 CONECT 1179 940 MASTER 0 0 0 0 0 0 0 0 1178 1 258 5 END
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Related entries of code: 2fuu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
16aa, >2B2V_3|Chain... at 93%
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PDBbind
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2co0
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15aa, >2F6J_2|Chain... at 100%
2fsa
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PDBbind
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2h2g
RCSB PDB
PDBbind
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2h9m
RCSB PDB
PDBbind
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2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
2fuu
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
bromodomain PHD finger transcription factor
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=2.7uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
(2006) Nature Vol. 442: pp. 91-95
Ligand Properties
Formula
C
6
6
H
1
2
9
N
2
5
O
2
1
Molecular Weight
1608.890
Exact Mass
1607.980
No. of atoms
241
No. of bonds
240
Polar Surface Area
783.65
LOGP Value
-8.43 (
Computed with XLOGP3
)
-9.87 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 46
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCC[NH3+])[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C66H123N25O21/c1-33(69)52(99)82-43(22-17-28-76-66(73)74)58(105)90-51(38(6)95)63(110)86-41(20-12-15-29-91(7,8)9)55(102)85-44(23-24-46(70)96)59(106)89-50(37(5)94)62(109)79-34(2)53(100)83-42(21-16-27-75-65(71)72)56(103)84-40(19-11-14-26-68)57(104)87-45(32-92)60(107)88-49(36(4)93)61(108)78-30-47(97)77-31-48(98)81-39(18-10-13-25-67)54(101)80-35(3)64(111)112/h33-45,49-51,92-95H,10-32,67-69H2,1-9H3,(H24-,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112)/p+6/t33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43-,44-,45-,49-,50-,51-/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):
Q7M3Z9
Q12830
Entrez Gene ID
NCBI Entrez Gene ID:
2186
ASD
Information of known allosteric effects of PDB entries
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