Browse entries in the PDBbind-CN Database
HEADER 1HC9_COMPLEX COMPND 1HC9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA SEQRES 2 A 74 VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS SEQRES 3 A 74 MET TRP CYS ASP VAL PHE CYS SER SER ARG GLY LYS VAL SEQRES 4 A 74 VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS SEQRES 5 A 74 PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS SEQRES 6 A 74 ASN PRO HIS PRO LYS GLN ARG PRO GLY HET TRP A 184 229 SSBOND 1 CYS A 3 CYS A 23 SSBOND 2 CYS A 29 CYS A 33 SSBOND 3 CYS A 16 CYS A 44 SSBOND 4 CYS A 60 CYS A 65 ATOM 1 N ILE A 1 9.976 41.740 28.580 1.00 16.44 N ATOM 2 CA ILE A 1 10.472 42.939 27.840 1.00 16.05 C ATOM 3 C ILE A 1 9.363 43.515 26.956 1.00 16.01 C ATOM 4 O ILE A 1 8.461 42.796 26.532 1.00 16.78 O ATOM 5 CB ILE A 1 11.697 42.570 26.953 1.00 14.29 C ATOM 6 CG1 ILE A 1 12.355 43.840 26.404 1.00 15.22 C ATOM 7 CG2 ILE A 1 11.264 41.665 25.807 1.00 15.32 C ATOM 8 CD1 ILE A 1 13.690 43.590 25.707 1.00 17.90 C ATOM 9 HA ILE A 1 10.776 43.686 28.574 1.00 0.00 H ATOM 10 HB ILE A 1 12.423 42.036 27.565 1.00 0.00 H ATOM 11 HG12 ILE A 1 11.673 44.298 25.688 1.00 0.00 H ATOM 12 HG13 ILE A 1 12.523 44.526 27.234 1.00 0.00 H ATOM 13 HD11 ILE A 1 14.389 43.142 26.413 1.00 0.00 H ATOM 14 HD12 ILE A 1 13.538 42.914 24.866 1.00 0.00 H ATOM 15 HD13 ILE A 1 14.093 44.536 25.346 1.00 0.00 H ATOM 16 HG21 ILE A 1 10.828 40.752 26.212 1.00 0.00 H ATOM 17 HG22 ILE A 1 10.524 42.183 25.197 1.00 0.00 H ATOM 18 HG23 ILE A 1 12.131 41.415 25.195 1.00 0.00 H ATOM 19 HN3 ILE A 1 9.673 41.015 27.899 1.00 0.00 H ATOM 20 HN2 ILE A 1 9.171 42.013 29.179 1.00 0.00 H ATOM 21 HN1 ILE A 1 10.740 41.361 29.175 1.00 0.00 H ATOM 22 N VAL A 2 9.428 44.818 26.704 1.00 15.75 N ATOM 23 CA VAL A 2 8.451 45.504 25.860 1.00 16.51 C ATOM 24 C VAL A 2 9.159 45.901 24.565 1.00 16.70 C ATOM 25 O VAL A 2 10.224 46.513 24.606 1.00 14.73 O ATOM 26 CB VAL A 2 7.910 46.779 26.552 1.00 15.61 C ATOM 27 CG1 VAL A 2 7.049 47.580 25.582 1.00 15.47 C ATOM 28 CG2 VAL A 2 7.109 46.395 27.793 1.00 18.67 C ATOM 29 HA VAL A 2 7.607 44.841 25.669 1.00 0.00 H ATOM 30 HB VAL A 2 8.750 47.403 26.858 1.00 0.00 H ATOM 31 HG11 VAL A 2 7.649 47.869 24.719 1.00 0.00 H ATOM 32 HG12 VAL A 2 6.209 46.968 25.253 1.00 0.00 H ATOM 33 HG13 VAL A 2 6.676 48.474 26.082 1.00 0.00 H ATOM 34 HG21 VAL A 2 6.272 45.760 27.502 1.00 0.00 H ATOM 35 HG22 VAL A 2 7.753 45.854 28.486 1.00 0.00 H ATOM 36 HG23 VAL A 2 6.732 47.297 28.274 1.00 0.00 H ATOM 37 H VAL A 2 10.203 45.371 27.123 1.00 0.00 H ATOM 38 N CYS A 3 8.559 45.565 23.423 1.00 15.25 N ATOM 39 CA CYS A 3 9.166 45.852 22.120 1.00 13.36 C ATOM 40 C CYS A 3 8.255 46.532 21.115 1.00 15.54 C ATOM 41 O CYS A 3 7.029 46.407 21.185 1.00 14.66 O ATOM 42 CB CYS A 3 9.644 44.551 21.474 1.00 12.84 C ATOM 43 SG CYS A 3 10.774 43.560 22.488 1.00 15.27 S ATOM 44 HA CYS A 3 9.977 46.544 22.346 1.00 0.00 H ATOM 45 HB2 CYS A 3 10.156 44.803 20.545 1.00 0.00 H ATOM 46 HB3 CYS A 3 8.768 43.942 21.251 1.00 0.00 H ATOM 47 HG CYS A 3 11.159 42.235 22.477 1.00 0.00 H ATOM 48 H CYS A 3 7.636 45.087 23.457 1.00 0.00 H ATOM 49 N HIS A 4 8.868 47.237 20.164 1.00 13.67 N ATOM 50 CA HIS A 4 8.118 47.883 19.095 1.00 14.61 C ATOM 51 C HIS A 4 7.691 46.746 18.162 1.00 14.68 C ATOM 52 O HIS A 4 8.413 45.757 18.022 1.00 12.64 O ATOM 53 CB HIS A 4 9.011 48.858 18.320 1.00 14.70 C ATOM 54 CG HIS A 4 9.354 50.106 19.075 1.00 17.51 C ATOM 55 ND1 HIS A 4 8.440 51.113 19.302 1.00 18.48 N ATOM 56 CD2 HIS A 4 10.517 50.521 19.633 1.00 16.56 C ATOM 57 CE1 HIS A 4 9.027 52.097 19.962 1.00 20.19 C ATOM 58 NE2 HIS A 4 10.288 51.763 20.174 1.00 17.34 N ATOM 59 HA HIS A 4 7.274 48.450 19.488 1.00 0.00 H ATOM 60 HB2 HIS A 4 9.939 48.345 18.066 1.00 0.00 H ATOM 61 HB3 HIS A 4 8.493 49.143 17.404 1.00 0.00 H ATOM 62 HD2 HIS A 4 11.458 49.972 19.650 1.00 0.00 H ATOM 63 HE1 HIS A 4 8.552 53.026 20.278 1.00 0.00 H ATOM 64 H HIS A 4 9.904 47.328 20.186 1.00 0.00 H ATOM 65 N THR A 5 6.524 46.877 17.536 1.00 13.94 N ATOM 66 CA THR A 5 6.037 45.851 16.613 1.00 13.99 C ATOM 67 C THR A 5 5.466 46.485 15.349 1.00 14.10 C ATOM 68 O THR A 5 4.780 47.502 15.416 1.00 14.98 O ATOM 69 CB THR A 5 4.930 44.963 17.252 1.00 14.54 C ATOM 70 OG1 THR A 5 4.354 44.126 16.242 1.00 13.67 O ATOM 71 CG2 THR A 5 3.826 45.816 17.873 1.00 15.08 C ATOM 72 HA THR A 5 6.897 45.227 16.370 1.00 0.00 H ATOM 73 HB THR A 5 5.388 44.360 18.036 1.00 0.00 H ATOM 74 HG1 THR A 5 5.058 43.550 15.852 1.00 0.00 H ATOM 75 HG23 THR A 5 4.254 46.457 18.644 1.00 0.00 H ATOM 76 HG21 THR A 5 3.366 46.432 17.100 1.00 0.00 H ATOM 77 HG22 THR A 5 3.072 45.166 18.317 1.00 0.00 H ATOM 78 H THR A 5 5.947 47.725 17.706 1.00 0.00 H ATOM 79 N THR A 6 5.759 45.891 14.196 1.00 12.22 N ATOM 80 CA THR A 6 5.242 46.408 12.936 1.00 14.12 C ATOM 81 C THR A 6 3.936 45.701 12.582 1.00 14.25 C ATOM 82 O THR A 6 3.393 45.881 11.492 1.00 16.03 O ATOM 83 CB THR A 6 6.260 46.228 11.779 1.00 14.99 C ATOM 84 OG1 THR A 6 6.851 44.923 11.851 1.00 13.68 O ATOM 85 CG2 THR A 6 7.357 47.285 11.865 1.00 13.41 C ATOM 86 HA THR A 6 5.064 47.476 13.065 1.00 0.00 H ATOM 87 HB THR A 6 5.732 46.340 10.832 1.00 0.00 H ATOM 88 HG1 THR A 6 6.142 44.236 11.774 1.00 0.00 H ATOM 89 HG23 THR A 6 6.909 48.277 11.810 1.00 0.00 H ATOM 90 HG21 THR A 6 7.890 47.177 12.809 1.00 0.00 H ATOM 91 HG22 THR A 6 8.053 47.153 11.036 1.00 0.00 H ATOM 92 H THR A 6 6.365 45.046 14.194 1.00 0.00 H ATOM 93 N ALA A 7 3.432 44.900 13.514 1.00 15.17 N ATOM 94 CA ALA A 7 2.182 44.182 13.295 1.00 15.65 C ATOM 95 C ALA A 7 1.010 45.152 13.384 1.00 17.09 C ATOM 96 O ALA A 7 -0.096 44.857 12.918 1.00 17.93 O ATOM 97 CB ALA A 7 2.024 43.072 14.329 1.00 15.59 C ATOM 98 HA ALA A 7 2.199 43.733 12.302 1.00 0.00 H ATOM 99 HB1 ALA A 7 2.857 42.374 14.241 1.00 0.00 H ATOM 100 HB2 ALA A 7 2.016 43.507 15.329 1.00 0.00 H ATOM 101 HB3 ALA A 7 1.087 42.544 14.153 1.00 0.00 H ATOM 102 H ALA A 7 3.938 44.783 14.415 1.00 0.00 H ATOM 103 N THR A 8 1.250 46.317 13.975 1.00 16.47 N ATOM 104 CA THR A 8 0.186 47.299 14.117 1.00 15.68 C ATOM 105 C THR A 8 0.415 48.564 13.304 1.00 17.62 C ATOM 106 O THR A 8 1.519 48.827 12.824 1.00 16.19 O ATOM 107 CB THR A 8 -0.013 47.710 15.594 1.00 17.30 C ATOM 108 OG1 THR A 8 1.174 48.351 16.089 1.00 16.00 O ATOM 109 CG2 THR A 8 -0.336 46.485 16.450 1.00 15.54 C ATOM 110 HA THR A 8 -0.704 46.800 13.735 1.00 0.00 H ATOM 111 HB THR A 8 -0.848 48.408 15.651 1.00 0.00 H ATOM 112 HG1 THR A 8 1.038 48.611 17.035 1.00 0.00 H ATOM 113 HG23 THR A 8 -1.237 46.004 16.069 1.00 0.00 H ATOM 114 HG21 THR A 8 0.497 45.784 16.407 1.00 0.00 H ATOM 115 HG22 THR A 8 -0.498 46.797 17.482 1.00 0.00 H ATOM 116 H THR A 8 2.202 46.528 14.337 1.00 0.00 H ATOM 117 N SER A 9 -0.654 49.337 13.156 1.00 16.51 N ATOM 118 CA SER A 9 -0.622 50.601 12.435 1.00 18.43 C ATOM 119 C SER A 9 -1.434 51.609 13.239 1.00 19.98 C ATOM 120 O SER A 9 -2.656 51.476 13.367 1.00 20.77 O ATOM 121 CB SER A 9 -1.233 50.451 11.041 1.00 20.81 C ATOM 122 OG SER A 9 -1.271 51.706 10.383 1.00 23.01 O ATOM 123 HA SER A 9 0.410 50.931 12.314 1.00 0.00 H ATOM 124 HB2 SER A 9 -2.247 50.062 11.132 1.00 0.00 H ATOM 125 HB3 SER A 9 -0.630 49.756 10.457 1.00 0.00 H ATOM 126 HG SER A 9 -1.668 51.594 9.483 1.00 0.00 H ATOM 127 H SER A 9 -1.554 49.026 13.574 1.00 0.00 H ATOM 128 N PRO A 10 -0.765 52.625 13.803 1.00 19.92 N ATOM 129 CA PRO A 10 0.686 52.825 13.694 1.00 19.64 C ATOM 130 C PRO A 10 1.508 51.830 14.510 1.00 18.65 C ATOM 131 O PRO A 10 0.967 51.043 15.296 1.00 17.24 O ATOM 132 CB PRO A 10 0.868 54.260 14.186 1.00 20.77 C ATOM 133 CG PRO A 10 -0.197 54.381 15.232 1.00 23.22 C ATOM 134 CD PRO A 10 -1.391 53.727 14.554 1.00 20.73 C ATOM 135 HA PRO A 10 1.047 52.660 12.679 1.00 0.00 H ATOM 136 HD3 PRO A 10 -2.103 53.350 15.288 1.00 0.00 H ATOM 137 HD2 PRO A 10 -1.895 54.424 13.885 1.00 0.00 H ATOM 138 HG3 PRO A 10 -0.400 55.425 15.470 1.00 0.00 H ATOM 139 HG2 PRO A 10 0.081 53.850 16.142 1.00 0.00 H ATOM 140 HB2 PRO A 10 1.860 54.407 14.614 1.00 0.00 H ATOM 141 HB3 PRO A 10 0.712 54.976 13.379 1.00 0.00 H ATOM 142 N ILE A 11 2.821 51.856 14.299 1.00 17.73 N ATOM 143 CA ILE A 11 3.728 50.983 15.038 1.00 16.29 C ATOM 144 C ILE A 11 3.533 51.291 16.519 1.00 16.13 C ATOM 145 O ILE A 11 3.466 52.451 16.911 1.00 15.96 O ATOM 146 CB ILE A 11 5.203 51.265 14.654 1.00 16.99 C ATOM 147 CG1 ILE A 11 5.464 50.787 13.221 1.00 18.25 C ATOM 148 CG2 ILE A 11 6.142 50.589 15.646 1.00 14.92 C ATOM 149 CD1 ILE A 11 6.820 51.199 12.653 1.00 19.24 C ATOM 150 HA ILE A 11 3.513 49.940 14.807 1.00 0.00 H ATOM 151 HB ILE A 11 5.392 52.338 14.695 1.00 0.00 H ATOM 152 HG12 ILE A 11 5.406 49.699 13.209 1.00 0.00 H ATOM 153 HG13 ILE A 11 4.686 51.198 12.578 1.00 0.00 H ATOM 154 HD11 ILE A 11 6.893 52.286 12.643 1.00 0.00 H ATOM 155 HD12 ILE A 11 7.614 50.786 13.275 1.00 0.00 H ATOM 156 HD13 ILE A 11 6.918 50.818 11.636 1.00 0.00 H ATOM 157 HG21 ILE A 11 5.952 50.977 16.647 1.00 0.00 H ATOM 158 HG22 ILE A 11 5.968 49.513 15.633 1.00 0.00 H ATOM 159 HG23 ILE A 11 7.175 50.795 15.365 1.00 0.00 H ATOM 160 H ILE A 11 3.210 52.512 13.592 1.00 0.00 H ATOM 161 N SER A 12 3.442 50.248 17.337 1.00 15.97 N ATOM 162 CA SER A 12 3.244 50.426 18.768 1.00 16.41 C ATOM 163 C SER A 12 4.118 49.462 19.555 1.00 15.46 C ATOM 164 O SER A 12 4.910 48.717 18.979 1.00 16.21 O ATOM 165 CB SER A 12 1.775 50.190 19.123 1.00 17.93 C ATOM 166 OG SER A 12 1.405 48.854 18.829 1.00 19.59 O ATOM 167 HA SER A 12 3.524 51.446 19.030 1.00 0.00 H ATOM 168 HB2 SER A 12 1.151 50.871 18.545 1.00 0.00 H ATOM 169 HB3 SER A 12 1.627 50.378 20.186 1.00 0.00 H ATOM 170 HG SER A 12 1.536 48.682 17.863 1.00 0.00 H ATOM 171 H SER A 12 3.514 49.286 16.948 1.00 0.00 H ATOM 172 N ALA A 13 3.967 49.475 20.876 1.00 15.34 N ATOM 173 CA ALA A 13 4.748 48.595 21.740 1.00 14.80 C ATOM 174 C ALA A 13 3.917 47.475 22.343 1.00 16.19 C ATOM 175 O ALA A 13 2.770 47.675 22.744 1.00 15.18 O ATOM 176 CB ALA A 13 5.407 49.411 22.853 1.00 14.23 C ATOM 177 HA ALA A 13 5.510 48.128 21.116 1.00 0.00 H ATOM 178 HB1 ALA A 13 6.065 50.160 22.412 1.00 0.00 H ATOM 179 HB2 ALA A 13 4.636 49.906 23.444 1.00 0.00 H ATOM 180 HB3 ALA A 13 5.988 48.747 23.493 1.00 0.00 H ATOM 181 H ALA A 13 3.278 50.126 21.303 1.00 0.00 H ATOM 182 N VAL A 14 4.506 46.289 22.407 1.00 14.84 N ATOM 183 CA VAL A 14 3.821 45.136 22.965 1.00 16.95 C ATOM 184 C VAL A 14 4.696 44.488 24.036 1.00 17.74 C ATOM 185 O VAL A 14 5.926 44.612 24.008 1.00 17.17 O ATOM 186 CB VAL A 14 3.504 44.103 21.846 1.00 18.09 C ATOM 187 CG1 VAL A 14 4.801 43.560 21.255 1.00 16.79 C ATOM 188 CG2 VAL A 14 2.643 42.974 22.393 1.00 19.41 C ATOM 189 HA VAL A 14 2.883 45.465 23.414 1.00 0.00 H ATOM 190 HB VAL A 14 2.944 44.600 21.054 1.00 0.00 H ATOM 191 HG11 VAL A 14 5.378 44.382 20.832 1.00 0.00 H ATOM 192 HG12 VAL A 14 5.381 43.073 22.040 1.00 0.00 H ATOM 193 HG13 VAL A 14 4.568 42.838 20.473 1.00 0.00 H ATOM 194 HG21 VAL A 14 3.176 42.471 23.200 1.00 0.00 H ATOM 195 HG22 VAL A 14 1.707 43.384 22.773 1.00 0.00 H ATOM 196 HG23 VAL A 14 2.431 42.261 21.596 1.00 0.00 H ATOM 197 H VAL A 14 5.477 46.182 22.051 1.00 0.00 H ATOM 198 N THR A 15 4.068 43.827 25.004 1.00 16.21 N ATOM 199 CA THR A 15 4.831 43.135 26.029 1.00 17.44 C ATOM 200 C THR A 15 5.033 41.734 25.464 1.00 17.30 C ATOM 201 O THR A 15 4.068 41.042 25.144 1.00 17.46 O ATOM 202 CB THR A 15 4.072 43.050 27.367 1.00 17.09 C ATOM 203 OG1 THR A 15 3.859 44.371 27.889 1.00 17.30 O ATOM 204 CG2 THR A 15 4.878 42.238 28.378 1.00 19.00 C ATOM 205 HA THR A 15 5.762 43.659 26.247 1.00 0.00 H ATOM 206 HB THR A 15 3.112 42.563 27.194 1.00 0.00 H ATOM 207 HG1 THR A 15 3.371 44.310 28.748 1.00 0.00 H ATOM 208 HG23 THR A 15 5.043 41.234 27.987 1.00 0.00 H ATOM 209 HG21 THR A 15 5.838 42.724 28.550 1.00 0.00 H ATOM 210 HG22 THR A 15 4.326 42.178 29.316 1.00 0.00 H ATOM 211 H THR A 15 3.028 43.805 25.028 1.00 0.00 H ATOM 212 N CYS A 16 6.287 41.322 25.324 1.00 15.67 N ATOM 213 CA CYS A 16 6.590 40.015 24.765 1.00 15.44 C ATOM 214 C CYS A 16 6.242 38.860 25.700 1.00 16.60 C ATOM 215 O CYS A 16 6.227 39.020 26.919 1.00 17.01 O ATOM 216 CB CYS A 16 8.066 39.952 24.384 1.00 17.52 C ATOM 217 SG CYS A 16 8.565 41.225 23.178 1.00 17.22 S ATOM 218 HA CYS A 16 5.963 39.895 23.882 1.00 0.00 H ATOM 219 HB2 CYS A 16 8.269 38.971 23.954 1.00 0.00 H ATOM 220 HB3 CYS A 16 8.661 40.081 25.288 1.00 0.00 H ATOM 221 HG CYS A 16 9.813 41.676 22.801 1.00 0.00 H ATOM 222 H CYS A 16 7.066 41.945 25.619 1.00 0.00 H ATOM 223 N PRO A 17 5.966 37.677 25.131 1.00 18.05 N ATOM 224 CA PRO A 17 5.615 36.472 25.889 1.00 19.70 C ATOM 225 C PRO A 17 6.748 36.072 26.826 1.00 20.02 C ATOM 226 O PRO A 17 7.907 36.410 26.588 1.00 17.87 O ATOM 227 CB PRO A 17 5.408 35.419 24.798 1.00 18.99 C ATOM 228 CG PRO A 17 5.046 36.217 23.591 1.00 21.27 C ATOM 229 CD PRO A 17 5.979 37.391 23.686 1.00 19.24 C ATOM 230 HA PRO A 17 4.739 36.605 26.524 1.00 0.00 H ATOM 231 HD3 PRO A 17 6.980 37.130 23.343 1.00 0.00 H ATOM 232 HD2 PRO A 17 5.608 38.239 23.111 1.00 0.00 H ATOM 233 HG3 PRO A 17 4.005 36.537 23.628 1.00 0.00 H ATOM 234 HG2 PRO A 17 5.218 35.649 22.677 1.00 0.00 H ATOM 235 HB2 PRO A 17 6.323 34.852 24.628 1.00 0.00 H ATOM 236 HB3 PRO A 17 4.603 34.735 25.067 1.00 0.00 H ATOM 237 N PRO A 18 6.430 35.341 27.904 1.00 19.74 N ATOM 238 CA PRO A 18 7.506 34.936 28.813 1.00 19.74 C ATOM 239 C PRO A 18 8.516 34.065 28.060 1.00 19.48 C ATOM 240 O PRO A 18 8.136 33.220 27.248 1.00 19.79 O ATOM 241 CB PRO A 18 6.761 34.188 29.927 1.00 21.26 C ATOM 242 CG PRO A 18 5.495 33.723 29.264 1.00 23.17 C ATOM 243 CD PRO A 18 5.117 34.893 28.395 1.00 22.42 C ATOM 244 HA PRO A 18 8.096 35.757 29.220 1.00 0.00 H ATOM 245 HD3 PRO A 18 4.470 34.585 27.574 1.00 0.00 H ATOM 246 HD2 PRO A 18 4.622 35.673 28.973 1.00 0.00 H ATOM 247 HG3 PRO A 18 4.720 33.516 30.002 1.00 0.00 H ATOM 248 HG2 PRO A 18 5.672 32.830 28.664 1.00 0.00 H ATOM 249 HB2 PRO A 18 7.346 33.341 30.284 1.00 0.00 H ATOM 250 HB3 PRO A 18 6.541 34.854 30.762 1.00 0.00 H ATOM 251 N GLY A 19 9.803 34.284 28.311 1.00 17.97 N ATOM 252 CA GLY A 19 10.819 33.510 27.609 1.00 17.68 C ATOM 253 C GLY A 19 11.356 34.258 26.404 1.00 17.90 C ATOM 254 O GLY A 19 12.416 33.927 25.870 1.00 18.05 O ATOM 255 HA3 GLY A 19 10.380 32.570 27.275 1.00 0.00 H ATOM 256 HA2 GLY A 19 11.642 33.303 28.293 1.00 0.00 H ATOM 257 H GLY A 19 10.084 35.005 29.006 1.00 0.00 H ATOM 258 N GLU A 20 10.606 35.260 25.957 1.00 17.01 N ATOM 259 CA GLU A 20 11.030 36.078 24.829 1.00 17.58 C ATOM 260 C GLU A 20 11.517 37.369 25.456 1.00 16.42 C ATOM 261 O GLU A 20 10.735 38.277 25.733 1.00 16.11 O ATOM 262 CB GLU A 20 9.863 36.319 23.866 1.00 17.28 C ATOM 263 CG GLU A 20 9.521 35.079 23.051 1.00 18.99 C ATOM 264 CD GLU A 20 8.514 35.334 21.942 1.00 21.55 C ATOM 265 OE1 GLU A 20 8.515 36.441 21.359 1.00 22.30 O ATOM 266 OE2 GLU A 20 7.734 34.411 21.635 1.00 20.04 O ATOM 267 HA GLU A 20 11.809 35.602 24.233 1.00 0.00 H ATOM 268 HB2 GLU A 20 8.986 36.612 24.444 1.00 0.00 H ATOM 269 HB3 GLU A 20 10.132 37.125 23.183 1.00 0.00 H ATOM 270 HG2 GLU A 20 10.438 34.698 22.602 1.00 0.00 H ATOM 271 HG3 GLU A 20 9.109 34.328 23.724 1.00 0.00 H ATOM 272 H GLU A 20 9.698 35.464 26.422 1.00 0.00 H ATOM 273 N ASN A 21 12.824 37.429 25.696 1.00 16.15 N ATOM 274 CA ASN A 21 13.427 38.579 26.352 1.00 16.96 C ATOM 275 C ASN A 21 14.251 39.498 25.463 1.00 16.12 C ATOM 276 O ASN A 21 15.066 40.276 25.958 1.00 17.25 O ATOM 277 CB ASN A 21 14.274 38.087 27.523 1.00 17.61 C ATOM 278 CG ASN A 21 13.462 37.275 28.509 1.00 19.52 C ATOM 279 OD1 ASN A 21 12.502 37.778 29.089 1.00 22.32 O ATOM 280 ND2 ASN A 21 13.832 36.011 28.694 1.00 18.54 N ATOM 281 HA ASN A 21 12.594 39.200 26.680 1.00 0.00 H ATOM 282 HB2 ASN A 21 15.082 37.466 27.137 1.00 0.00 H ATOM 283 HB3 ASN A 21 14.695 38.949 28.040 1.00 0.00 H ATOM 284 HD22 ASN A 21 14.652 35.629 28.181 1.00 0.00 H ATOM 285 HD21 ASN A 21 13.302 35.405 29.352 1.00 0.00 H ATOM 286 H ASN A 21 13.430 36.634 25.408 1.00 0.00 H ATOM 287 N LEU A 22 14.026 39.413 24.158 1.00 13.61 N ATOM 288 CA LEU A 22 14.736 40.252 23.201 1.00 13.45 C ATOM 289 C LEU A 22 13.755 40.928 22.259 1.00 14.42 C ATOM 290 O LEU A 22 12.652 40.432 22.034 1.00 14.65 O ATOM 291 CB LEU A 22 15.689 39.409 22.344 1.00 15.01 C ATOM 292 CG LEU A 22 16.798 38.608 23.025 1.00 15.84 C ATOM 293 CD1 LEU A 22 17.453 37.683 22.002 1.00 17.50 C ATOM 294 CD2 LEU A 22 17.814 39.546 23.635 1.00 16.90 C ATOM 295 HA LEU A 22 15.295 40.994 23.771 1.00 0.00 H ATOM 296 HB2 LEU A 22 15.075 38.697 21.792 1.00 0.00 H ATOM 297 HB3 LEU A 22 16.173 40.089 21.643 1.00 0.00 H ATOM 298 HG LEU A 22 16.375 38.002 23.826 1.00 0.00 H ATOM 299 HD21 LEU A 22 18.249 40.167 22.852 1.00 0.00 H ATOM 300 HD22 LEU A 22 17.324 40.180 24.374 1.00 0.00 H ATOM 301 HD23 LEU A 22 18.600 38.965 24.118 1.00 0.00 H ATOM 302 HD11 LEU A 22 16.704 37.001 21.599 1.00 0.00 H ATOM 303 HD12 LEU A 22 17.876 38.279 21.194 1.00 0.00 H ATOM 304 HD13 LEU A 22 18.244 37.111 22.486 1.00 0.00 H ATOM 305 H LEU A 22 13.324 38.729 23.809 1.00 0.00 H ATOM 306 N CYS A 23 14.168 42.072 21.723 1.00 13.71 N ATOM 307 CA CYS A 23 13.387 42.790 20.731 1.00 13.60 C ATOM 308 C CYS A 23 14.230 42.608 19.478 1.00 14.99 C ATOM 309 O CYS A 23 15.436 42.378 19.577 1.00 15.14 O ATOM 310 CB CYS A 23 13.311 44.286 21.037 1.00 13.63 C ATOM 311 SG CYS A 23 12.421 44.738 22.550 1.00 15.14 S ATOM 312 HA CYS A 23 12.360 42.431 20.672 1.00 0.00 H ATOM 313 HB2 CYS A 23 12.815 44.774 20.198 1.00 0.00 H ATOM 314 HB3 CYS A 23 14.330 44.662 21.123 1.00 0.00 H ATOM 315 HG CYS A 23 12.097 45.950 23.126 1.00 0.00 H ATOM 316 H CYS A 23 15.082 42.467 22.024 1.00 0.00 H ATOM 317 N TYR A 24 13.620 42.695 18.306 1.00 13.71 N ATOM 318 CA TYR A 24 14.400 42.565 17.091 1.00 15.32 C ATOM 319 C TYR A 24 13.913 43.506 16.004 1.00 16.07 C ATOM 320 O TYR A 24 12.759 43.950 15.999 1.00 14.77 O ATOM 321 CB TYR A 24 14.374 41.117 16.568 1.00 14.97 C ATOM 322 CG TYR A 24 13.121 40.742 15.803 1.00 17.60 C ATOM 323 CD1 TYR A 24 12.964 41.095 14.456 1.00 19.23 C ATOM 324 CD2 TYR A 24 12.082 40.056 16.429 1.00 15.83 C ATOM 325 CE1 TYR A 24 11.795 40.774 13.755 1.00 19.02 C ATOM 326 CE2 TYR A 24 10.913 39.729 15.740 1.00 19.44 C ATOM 327 CZ TYR A 24 10.775 40.092 14.409 1.00 20.32 C ATOM 328 OH TYR A 24 9.610 39.787 13.744 1.00 19.52 O ATOM 329 HA TYR A 24 15.425 42.835 17.346 1.00 0.00 H ATOM 330 HB3 TYR A 24 14.464 40.446 17.422 1.00 0.00 H ATOM 331 HB2 TYR A 24 15.230 40.979 15.907 1.00 0.00 H ATOM 332 HD2 TYR A 24 12.184 39.770 17.476 1.00 0.00 H ATOM 333 HE2 TYR A 24 10.112 39.190 16.246 1.00 0.00 H ATOM 334 HE1 TYR A 24 11.686 41.056 12.708 1.00 0.00 H ATOM 335 HD1 TYR A 24 13.766 41.629 13.945 1.00 0.00 H ATOM 336 HH TYR A 24 9.670 40.111 12.810 1.00 0.00 H ATOM 337 H TYR A 24 12.593 42.855 18.258 1.00 0.00 H ATOM 338 N ARG A 25 14.831 43.833 15.106 1.00 14.69 N ATOM 339 CA ARG A 25 14.528 44.655 13.948 1.00 13.75 C ATOM 340 C ARG A 25 15.173 43.923 12.786 1.00 14.47 C ATOM 341 O ARG A 25 16.366 43.609 12.818 1.00 14.35 O ATOM 342 CB ARG A 25 15.117 46.061 14.060 1.00 12.50 C ATOM 343 CG ARG A 25 14.894 46.887 12.794 1.00 12.91 C ATOM 344 CD ARG A 25 15.236 48.357 12.986 1.00 16.22 C ATOM 345 NE ARG A 25 16.639 48.541 13.337 1.00 21.82 N ATOM 346 CZ ARG A 25 17.064 49.123 14.455 1.00 25.12 C ATOM 347 NH1 ARG A 25 16.194 49.592 15.343 1.00 23.63 N ATOM 348 NH2 ARG A 25 18.366 49.216 14.696 1.00 26.18 N ATOM 349 HA ARG A 25 13.452 44.791 13.837 1.00 0.00 H ATOM 350 HB2 ARG A 25 14.646 46.572 14.900 1.00 0.00 H ATOM 351 HB3 ARG A 25 16.189 45.979 14.241 1.00 0.00 H ATOM 352 HG2 ARG A 25 15.521 46.484 11.999 1.00 0.00 H ATOM 353 HG3 ARG A 25 13.846 46.807 12.505 1.00 0.00 H ATOM 354 HD2 ARG A 25 14.615 48.763 13.784 1.00 0.00 H ATOM 355 HD3 ARG A 25 15.030 48.892 12.059 1.00 0.00 H ATOM 356 HE ARG A 25 17.356 48.194 12.668 1.00 0.00 H ATOM 357 HH12 ARG A 25 16.534 50.046 16.215 1.00 0.00 H ATOM 358 HH11 ARG A 25 15.173 49.505 15.166 1.00 0.00 H ATOM 359 HH22 ARG A 25 18.702 49.670 15.569 1.00 0.00 H ATOM 360 HH21 ARG A 25 19.050 48.834 14.012 1.00 0.00 H ATOM 361 H ARG A 25 15.804 43.488 15.235 1.00 0.00 H ATOM 362 N LYS A 26 14.371 43.635 11.774 1.00 14.23 N ATOM 363 CA LYS A 26 14.850 42.944 10.595 1.00 15.77 C ATOM 364 C LYS A 26 14.604 43.857 9.407 1.00 15.79 C ATOM 365 O LYS A 26 13.516 44.411 9.250 1.00 15.98 O ATOM 366 CB LYS A 26 14.093 41.630 10.416 1.00 18.76 C ATOM 367 CG LYS A 26 14.704 40.691 9.393 1.00 24.97 C ATOM 368 CD LYS A 26 13.896 39.397 9.290 1.00 29.59 C ATOM 369 CE LYS A 26 13.693 38.755 10.659 1.00 33.02 C ATOM 370 NZ LYS A 26 12.880 37.501 10.592 1.00 38.11 N ATOM 371 HA LYS A 26 15.911 42.710 10.687 1.00 0.00 H ATOM 372 HB2 LYS A 26 14.067 41.117 11.377 1.00 0.00 H ATOM 373 HB3 LYS A 26 13.075 41.862 10.102 1.00 0.00 H ATOM 374 HG2 LYS A 26 14.717 41.182 8.420 1.00 0.00 H ATOM 375 HG3 LYS A 26 15.725 40.452 9.692 1.00 0.00 H ATOM 376 HD2 LYS A 26 12.922 39.621 8.855 1.00 0.00 H ATOM 377 HD3 LYS A 26 14.428 38.697 8.645 1.00 0.00 H ATOM 378 HE2 LYS A 26 13.183 39.468 11.307 1.00 0.00 H ATOM 379 HE3 LYS A 26 14.669 38.516 11.081 1.00 0.00 H ATOM 380 HZ1 LYS A 26 11.942 37.718 10.198 1.00 0.00 H ATOM 381 HZ2 LYS A 26 13.362 36.809 9.983 1.00 0.00 H ATOM 382 HZ3 LYS A 26 12.773 37.107 11.549 1.00 0.00 H ATOM 383 H LYS A 26 13.370 43.912 11.827 1.00 0.00 H ATOM 384 N MET A 27 15.622 44.028 8.577 1.00 16.12 N ATOM 385 CA MET A 27 15.491 44.883 7.410 1.00 15.14 C ATOM 386 C MET A 27 16.077 44.226 6.176 1.00 16.06 C ATOM 387 O MET A 27 17.106 43.547 6.245 1.00 15.64 O ATOM 388 CB MET A 27 16.181 46.225 7.668 1.00 17.48 C ATOM 389 CG MET A 27 15.498 47.063 8.751 1.00 19.00 C ATOM 390 SD MET A 27 16.375 48.592 9.113 1.00 22.71 S ATOM 391 CE MET A 27 15.968 49.574 7.665 1.00 23.78 C ATOM 392 HA MET A 27 14.429 45.049 7.229 1.00 0.00 H ATOM 393 HB2 MET A 27 17.208 46.032 7.977 1.00 0.00 H ATOM 394 HB3 MET A 27 16.184 46.796 6.740 1.00 0.00 H ATOM 395 HG2 MET A 27 15.440 46.471 9.664 1.00 0.00 H ATOM 396 HG3 MET A 27 14.491 47.311 8.416 1.00 0.00 H ATOM 397 HE1 MET A 27 16.329 49.067 6.770 1.00 0.00 H ATOM 398 HE2 MET A 27 14.887 49.697 7.603 1.00 0.00 H ATOM 399 HE3 MET A 27 16.442 50.552 7.746 1.00 0.00 H ATOM 400 H MET A 27 16.524 43.545 8.763 1.00 0.00 H ATOM 401 N TRP A 28 15.416 44.431 5.043 1.00 14.69 N ATOM 402 CA TRP A 28 15.885 43.861 3.794 1.00 16.14 C ATOM 403 C TRP A 28 15.302 44.627 2.620 1.00 16.79 C ATOM 404 O TRP A 28 14.297 45.331 2.746 1.00 15.95 O ATOM 405 CB TRP A 28 15.493 42.382 3.706 1.00 15.03 C ATOM 406 CG TRP A 28 14.020 42.144 3.551 1.00 17.46 C ATOM 407 CD1 TRP A 28 13.315 42.065 2.377 1.00 16.61 C ATOM 408 CD2 TRP A 28 13.070 41.949 4.601 1.00 18.70 C ATOM 409 NE1 TRP A 28 11.988 41.829 2.636 1.00 19.01 N ATOM 410 CE2 TRP A 28 11.808 41.752 3.993 1.00 19.04 C ATOM 411 CE3 TRP A 28 13.160 41.920 6.000 1.00 20.56 C ATOM 412 CZ2 TRP A 28 10.646 41.528 4.735 1.00 20.87 C ATOM 413 CZ3 TRP A 28 12.001 41.697 6.739 1.00 21.99 C ATOM 414 CH2 TRP A 28 10.760 41.503 6.102 1.00 21.91 C ATOM 415 HA TRP A 28 16.972 43.937 3.760 1.00 0.00 H ATOM 416 HB2 TRP A 28 16.002 41.944 2.848 1.00 0.00 H ATOM 417 HB3 TRP A 28 15.826 41.885 4.617 1.00 0.00 H ATOM 418 HE1 TRP A 28 11.241 41.725 1.920 1.00 0.00 H ATOM 419 HD1 TRP A 28 13.746 42.174 1.382 1.00 0.00 H ATOM 420 HZ2 TRP A 28 9.684 41.378 4.246 1.00 0.00 H ATOM 421 HH2 TRP A 28 9.871 41.329 6.708 1.00 0.00 H ATOM 422 HZ3 TRP A 28 12.055 41.672 7.827 1.00 0.00 H ATOM 423 HE3 TRP A 28 14.118 42.069 6.499 1.00 0.00 H ATOM 424 H TRP A 28 14.551 45.008 5.051 1.00 0.00 H ATOM 425 N CYS A 29 15.948 44.475 1.475 1.00 16.08 N ATOM 426 CA CYS A 29 15.524 45.139 0.259 1.00 16.56 C ATOM 427 C CYS A 29 14.492 44.360 -0.547 1.00 17.63 C ATOM 428 O CYS A 29 14.603 43.141 -0.700 1.00 17.87 O ATOM 429 CB CYS A 29 16.724 45.342 -0.658 1.00 18.53 C ATOM 430 SG CYS A 29 17.742 46.834 -0.471 1.00 20.89 S ATOM 431 HA CYS A 29 15.073 46.076 0.586 1.00 0.00 H ATOM 432 HB2 CYS A 29 16.347 45.340 -1.681 1.00 0.00 H ATOM 433 HB3 CYS A 29 17.384 44.486 -0.513 1.00 0.00 H ATOM 434 HG CYS A 29 18.298 46.530 0.755 1.00 0.00 H ATOM 435 H CYS A 29 16.786 43.860 1.447 1.00 0.00 H ATOM 436 N ASP A 30 13.483 45.062 -1.051 1.00 15.95 N ATOM 437 CA ASP A 30 12.535 44.432 -1.955 1.00 18.88 C ATOM 438 C ASP A 30 12.700 45.290 -3.220 1.00 18.12 C ATOM 439 O ASP A 30 13.682 46.025 -3.331 1.00 17.69 O ATOM 440 CB ASP A 30 11.097 44.398 -1.396 1.00 17.81 C ATOM 441 CG ASP A 30 10.417 45.749 -1.359 1.00 19.35 C ATOM 442 OD1 ASP A 30 11.031 46.772 -1.713 1.00 18.96 O ATOM 443 OD2 ASP A 30 9.231 45.769 -0.959 1.00 20.47 O ATOM 444 HA ASP A 30 12.723 43.373 -2.131 1.00 0.00 H ATOM 445 HB2 ASP A 30 10.502 43.732 -2.021 1.00 0.00 H ATOM 446 HB3 ASP A 30 11.133 44.005 -0.380 1.00 0.00 H ATOM 447 H ASP A 30 13.371 46.065 -0.798 1.00 0.00 H ATOM 448 N VAL A 31 11.766 45.207 -4.159 1.00 18.77 N ATOM 449 CA VAL A 31 11.877 45.971 -5.401 1.00 19.54 C ATOM 450 C VAL A 31 11.979 47.483 -5.211 1.00 19.96 C ATOM 451 O VAL A 31 12.618 48.172 -6.010 1.00 19.22 O ATOM 452 CB VAL A 31 10.681 45.685 -6.328 1.00 20.63 C ATOM 453 CG1 VAL A 31 9.347 45.987 -5.631 1.00 18.12 C ATOM 454 CG2 VAL A 31 10.777 46.386 -7.641 1.00 17.48 C ATOM 455 HA VAL A 31 12.814 45.635 -5.844 1.00 0.00 H ATOM 456 HB VAL A 31 10.716 44.618 -6.548 1.00 0.00 H ATOM 457 HG11 VAL A 31 9.253 45.363 -4.742 1.00 0.00 H ATOM 458 HG12 VAL A 31 9.319 47.038 -5.343 1.00 0.00 H ATOM 459 HG13 VAL A 31 8.525 45.774 -6.314 1.00 0.00 H ATOM 460 HG21 VAL A 31 10.816 47.463 -7.475 1.00 0.00 H ATOM 461 HG22 VAL A 31 11.681 46.064 -8.158 1.00 0.00 H ATOM 462 HG23 VAL A 31 9.904 46.142 -8.246 1.00 0.00 H ATOM 463 H VAL A 31 10.943 44.589 -4.009 1.00 0.00 H ATOM 464 N PHE A 32 11.346 47.997 -4.160 1.00 19.99 N ATOM 465 CA PHE A 32 11.356 49.436 -3.897 1.00 20.84 C ATOM 466 C PHE A 32 12.531 49.962 -3.071 1.00 19.26 C ATOM 467 O PHE A 32 12.499 51.110 -2.642 1.00 20.34 O ATOM 468 CB PHE A 32 10.073 49.864 -3.169 1.00 23.45 C ATOM 469 CG PHE A 32 8.799 49.440 -3.844 1.00 27.42 C ATOM 470 CD1 PHE A 32 8.152 48.265 -3.462 1.00 28.22 C ATOM 471 CD2 PHE A 32 8.226 50.230 -4.836 1.00 28.68 C ATOM 472 CE1 PHE A 32 6.948 47.884 -4.057 1.00 29.56 C ATOM 473 CE2 PHE A 32 7.021 49.860 -5.440 1.00 29.73 C ATOM 474 CZ PHE A 32 6.381 48.684 -5.049 1.00 30.00 C ATOM 475 HA PHE A 32 11.444 49.868 -4.894 1.00 0.00 H ATOM 476 HB2 PHE A 32 10.089 49.431 -2.169 1.00 0.00 H ATOM 477 HB3 PHE A 32 10.072 50.951 -3.092 1.00 0.00 H ATOM 478 HD2 PHE A 32 8.723 51.149 -5.146 1.00 0.00 H ATOM 479 HE2 PHE A 32 6.583 50.489 -6.215 1.00 0.00 H ATOM 480 HZ PHE A 32 5.441 48.391 -5.517 1.00 0.00 H ATOM 481 HE1 PHE A 32 6.452 46.964 -3.747 1.00 0.00 H ATOM 482 HD1 PHE A 32 8.592 47.636 -2.689 1.00 0.00 H ATOM 483 H PHE A 32 10.834 47.364 -3.513 1.00 0.00 H ATOM 484 N CYS A 33 13.567 49.160 -2.852 1.00 18.34 N ATOM 485 CA CYS A 33 14.677 49.626 -2.022 1.00 16.88 C ATOM 486 C CYS A 33 15.292 50.945 -2.442 1.00 16.64 C ATOM 487 O CYS A 33 15.602 51.781 -1.596 1.00 14.75 O ATOM 488 CB CYS A 33 15.798 48.596 -1.951 1.00 16.90 C ATOM 489 SG CYS A 33 16.408 48.351 -0.249 1.00 18.40 S ATOM 490 HA CYS A 33 14.211 49.777 -1.048 1.00 0.00 H ATOM 491 HB2 CYS A 33 16.625 48.935 -2.575 1.00 0.00 H ATOM 492 HB3 CYS A 33 15.425 47.645 -2.330 1.00 0.00 H ATOM 493 HG CYS A 33 17.089 49.542 -0.098 1.00 0.00 H ATOM 494 H CYS A 33 13.589 48.207 -3.268 1.00 0.00 H ATOM 495 N SER A 34 15.477 51.126 -3.745 1.00 16.93 N ATOM 496 CA SER A 34 16.097 52.342 -4.258 1.00 17.79 C ATOM 497 C SER A 34 15.368 53.628 -3.893 1.00 17.60 C ATOM 498 O SER A 34 16.006 54.660 -3.685 1.00 17.44 O ATOM 499 CB SER A 34 16.250 52.258 -5.782 1.00 18.66 C ATOM 500 OG SER A 34 14.991 52.102 -6.415 1.00 23.51 O ATOM 501 HA SER A 34 17.071 52.395 -3.771 1.00 0.00 H ATOM 502 HB2 SER A 34 16.881 51.405 -6.030 1.00 0.00 H ATOM 503 HB3 SER A 34 16.719 53.173 -6.144 1.00 0.00 H ATOM 504 HG SER A 34 14.562 51.270 -6.093 1.00 0.00 H ATOM 505 H SER A 34 15.174 50.387 -4.411 1.00 0.00 H ATOM 506 N SER A 35 14.042 53.573 -3.802 1.00 16.84 N ATOM 507 CA SER A 35 13.266 54.767 -3.484 1.00 18.34 C ATOM 508 C SER A 35 12.737 54.856 -2.053 1.00 18.14 C ATOM 509 O SER A 35 12.732 55.935 -1.458 1.00 18.62 O ATOM 510 CB SER A 35 12.088 54.894 -4.453 1.00 18.51 C ATOM 511 OG SER A 35 11.180 53.817 -4.297 1.00 20.15 O ATOM 512 HA SER A 35 13.975 55.589 -3.588 1.00 0.00 H ATOM 513 HB2 SER A 35 12.466 54.896 -5.475 1.00 0.00 H ATOM 514 HB3 SER A 35 11.566 55.831 -4.258 1.00 0.00 H ATOM 515 HG SER A 35 11.648 52.963 -4.477 1.00 0.00 H ATOM 516 H SER A 35 13.553 52.669 -3.959 1.00 0.00 H ATOM 517 N ARG A 36 12.294 53.729 -1.504 1.00 18.74 N ATOM 518 CA ARG A 36 11.731 53.706 -0.157 1.00 19.16 C ATOM 519 C ARG A 36 12.681 53.218 0.924 1.00 18.46 C ATOM 520 O ARG A 36 12.378 53.327 2.111 1.00 18.93 O ATOM 521 CB ARG A 36 10.495 52.813 -0.122 1.00 21.27 C ATOM 522 CG ARG A 36 9.432 53.139 -1.144 1.00 23.97 C ATOM 523 CD ARG A 36 8.320 52.113 -1.041 1.00 27.07 C ATOM 524 NE ARG A 36 7.276 52.300 -2.043 1.00 30.03 N ATOM 525 CZ ARG A 36 6.237 51.483 -2.187 1.00 31.77 C ATOM 526 NH1 ARG A 36 6.108 50.427 -1.392 1.00 29.63 N ATOM 527 NH2 ARG A 36 5.325 51.719 -3.120 1.00 32.29 N ATOM 528 HA ARG A 36 11.497 54.748 0.063 1.00 0.00 H ATOM 529 HB2 ARG A 36 10.817 51.785 -0.288 1.00 0.00 H ATOM 530 HB3 ARG A 36 10.047 52.897 0.868 1.00 0.00 H ATOM 531 HG2 ARG A 36 9.031 54.134 -0.951 1.00 0.00 H ATOM 532 HG3 ARG A 36 9.865 53.111 -2.144 1.00 0.00 H ATOM 533 HD2 ARG A 36 7.869 52.187 -0.051 1.00 0.00 H ATOM 534 HD3 ARG A 36 8.751 51.120 -1.169 1.00 0.00 H ATOM 535 HE ARG A 36 7.349 53.118 -2.680 1.00 0.00 H ATOM 536 HH12 ARG A 36 5.295 49.788 -1.504 1.00 0.00 H ATOM 537 HH11 ARG A 36 6.820 50.239 -0.657 1.00 0.00 H ATOM 538 HH22 ARG A 36 4.514 51.077 -3.229 1.00 0.00 H ATOM 539 HH21 ARG A 36 5.421 52.546 -3.743 1.00 0.00 H ATOM 540 H ARG A 36 12.350 52.843 -2.046 1.00 0.00 H ATOM 541 N GLY A 37 13.822 52.673 0.523 1.00 16.89 N ATOM 542 CA GLY A 37 14.746 52.149 1.505 1.00 15.69 C ATOM 543 C GLY A 37 14.316 50.728 1.812 1.00 15.81 C ATOM 544 O GLY A 37 13.405 50.199 1.171 1.00 14.81 O ATOM 545 HA3 GLY A 37 14.711 52.754 2.411 1.00 0.00 H ATOM 546 HA2 GLY A 37 15.760 52.154 1.105 1.00 0.00 H ATOM 547 H GLY A 37 14.051 52.623 -0.490 1.00 0.00 H ATOM 548 N LYS A 38 14.945 50.113 2.806 1.00 15.06 N ATOM 549 CA LYS A 38 14.639 48.737 3.168 1.00 15.91 C ATOM 550 C LYS A 38 13.332 48.511 3.924 1.00 16.07 C ATOM 551 O LYS A 38 12.838 49.397 4.626 1.00 13.42 O ATOM 552 CB LYS A 38 15.787 48.153 3.993 1.00 17.18 C ATOM 553 CG LYS A 38 17.090 48.039 3.214 1.00 19.08 C ATOM 554 CD LYS A 38 18.212 47.439 4.039 1.00 22.64 C ATOM 555 CE LYS A 38 19.494 47.402 3.205 1.00 24.25 C ATOM 556 NZ LYS A 38 20.615 46.722 3.897 1.00 29.00 N ATOM 557 HA LYS A 38 14.511 48.231 2.211 1.00 0.00 H ATOM 558 HB2 LYS A 38 15.955 48.796 4.857 1.00 0.00 H ATOM 559 HB3 LYS A 38 15.498 47.158 4.333 1.00 0.00 H ATOM 560 HG2 LYS A 38 16.921 47.408 2.342 1.00 0.00 H ATOM 561 HG3 LYS A 38 17.390 49.035 2.888 1.00 0.00 H ATOM 562 HD2 LYS A 38 18.374 48.047 4.929 1.00 0.00 H ATOM 563 HD3 LYS A 38 17.943 46.426 4.337 1.00 0.00 H ATOM 564 HE2 LYS A 38 19.793 48.426 2.982 1.00 0.00 H ATOM 565 HE3 LYS A 38 19.288 46.874 2.274 1.00 0.00 H ATOM 566 HZ1 LYS A 38 20.828 47.222 4.783 1.00 0.00 H ATOM 567 HZ2 LYS A 38 20.346 45.740 4.108 1.00 0.00 H ATOM 568 HZ3 LYS A 38 21.455 46.729 3.283 1.00 0.00 H ATOM 569 H LYS A 38 15.675 50.627 3.339 1.00 0.00 H ATOM 570 N VAL A 39 12.784 47.310 3.754 1.00 14.29 N ATOM 571 CA VAL A 39 11.569 46.896 4.449 1.00 14.22 C ATOM 572 C VAL A 39 11.975 46.819 5.917 1.00 13.79 C ATOM 573 O VAL A 39 13.120 46.475 6.229 1.00 14.13 O ATOM 574 CB VAL A 39 11.094 45.488 3.985 1.00 14.42 C ATOM 575 CG1 VAL A 39 9.887 45.030 4.816 1.00 14.69 C ATOM 576 CG2 VAL A 39 10.734 45.525 2.506 1.00 15.19 C ATOM 577 HA VAL A 39 10.750 47.589 4.255 1.00 0.00 H ATOM 578 HB VAL A 39 11.905 44.775 4.134 1.00 0.00 H ATOM 579 HG11 VAL A 39 10.169 44.982 5.868 1.00 0.00 H ATOM 580 HG12 VAL A 39 9.070 45.740 4.690 1.00 0.00 H ATOM 581 HG13 VAL A 39 9.568 44.044 4.478 1.00 0.00 H ATOM 582 HG21 VAL A 39 9.933 46.247 2.346 1.00 0.00 H ATOM 583 HG22 VAL A 39 11.610 45.819 1.927 1.00 0.00 H ATOM 584 HG23 VAL A 39 10.403 44.536 2.189 1.00 0.00 H ATOM 585 H VAL A 39 13.239 46.641 3.101 1.00 0.00 H ATOM 586 N VAL A 40 11.048 47.151 6.810 1.00 12.32 N ATOM 587 CA VAL A 40 11.313 47.131 8.244 1.00 12.47 C ATOM 588 C VAL A 40 10.328 46.239 8.979 1.00 13.41 C ATOM 589 O VAL A 40 9.109 46.385 8.842 1.00 12.80 O ATOM 590 CB VAL A 40 11.220 48.555 8.870 1.00 14.69 C ATOM 591 CG1 VAL A 40 11.425 48.481 10.395 1.00 13.43 C ATOM 592 CG2 VAL A 40 12.267 49.477 8.244 1.00 12.61 C ATOM 593 HA VAL A 40 12.326 46.744 8.355 1.00 0.00 H ATOM 594 HB VAL A 40 10.229 48.960 8.668 1.00 0.00 H ATOM 595 HG11 VAL A 40 10.654 47.847 10.834 1.00 0.00 H ATOM 596 HG12 VAL A 40 12.408 48.061 10.608 1.00 0.00 H ATOM 597 HG13 VAL A 40 11.357 49.483 10.818 1.00 0.00 H ATOM 598 HG21 VAL A 40 13.262 49.071 8.426 1.00 0.00 H ATOM 599 HG22 VAL A 40 12.092 49.547 7.170 1.00 0.00 H ATOM 600 HG23 VAL A 40 12.190 50.468 8.691 1.00 0.00 H ATOM 601 H VAL A 40 10.105 47.434 6.476 1.00 0.00 H ATOM 602 N GLU A 41 10.867 45.306 9.753 1.00 12.38 N ATOM 603 CA GLU A 41 10.047 44.407 10.553 1.00 13.34 C ATOM 604 C GLU A 41 10.555 44.519 11.988 1.00 14.02 C ATOM 605 O GLU A 41 11.764 44.472 12.231 1.00 12.28 O ATOM 606 CB GLU A 41 10.177 42.966 10.057 1.00 14.74 C ATOM 607 CG GLU A 41 9.387 41.964 10.889 1.00 18.37 C ATOM 608 CD GLU A 41 9.493 40.555 10.346 1.00 22.70 C ATOM 609 OE1 GLU A 41 9.164 40.357 9.157 1.00 22.84 O ATOM 610 OE2 GLU A 41 9.903 39.649 11.105 1.00 23.52 O ATOM 611 HA GLU A 41 8.993 44.677 10.482 1.00 0.00 H ATOM 612 HB2 GLU A 41 9.818 42.921 9.029 1.00 0.00 H ATOM 613 HB3 GLU A 41 11.230 42.685 10.085 1.00 0.00 H ATOM 614 HG2 GLU A 41 9.770 41.976 11.909 1.00 0.00 H ATOM 615 HG3 GLU A 41 8.338 42.261 10.892 1.00 0.00 H ATOM 616 H GLU A 41 11.902 45.214 9.789 1.00 0.00 H ATOM 617 N LEU A 42 9.629 44.673 12.927 1.00 12.61 N ATOM 618 CA LEU A 42 9.973 44.818 14.340 1.00 11.91 C ATOM 619 C LEU A 42 9.138 43.867 15.173 1.00 13.46 C ATOM 620 O LEU A 42 7.933 43.750 14.952 1.00 12.97 O ATOM 621 CB LEU A 42 9.680 46.244 14.801 1.00 11.91 C ATOM 622 CG LEU A 42 10.254 47.392 13.970 1.00 13.72 C ATOM 623 CD1 LEU A 42 9.696 48.712 14.497 1.00 11.12 C ATOM 624 CD2 LEU A 42 11.777 47.374 14.046 1.00 12.99 C ATOM 625 HA LEU A 42 11.032 44.594 14.465 1.00 0.00 H ATOM 626 HB2 LEU A 42 8.597 46.365 14.819 1.00 0.00 H ATOM 627 HB3 LEU A 42 10.072 46.346 15.813 1.00 0.00 H ATOM 628 HG LEU A 42 9.967 47.279 12.925 1.00 0.00 H ATOM 629 HD21 LEU A 42 12.089 47.489 15.084 1.00 0.00 H ATOM 630 HD22 LEU A 42 12.148 46.426 13.656 1.00 0.00 H ATOM 631 HD23 LEU A 42 12.179 48.195 13.452 1.00 0.00 H ATOM 632 HD11 LEU A 42 8.609 48.704 14.414 1.00 0.00 H ATOM 633 HD12 LEU A 42 9.981 48.834 15.542 1.00 0.00 H ATOM 634 HD13 LEU A 42 10.100 49.536 13.910 1.00 0.00 H ATOM 635 H LEU A 42 8.627 44.691 12.648 1.00 0.00 H ATOM 636 N GLY A 43 9.764 43.197 16.134 1.00 13.11 N ATOM 637 CA GLY A 43 9.005 42.278 16.961 1.00 13.68 C ATOM 638 C GLY A 43 9.704 41.747 18.195 1.00 15.59 C ATOM 639 O GLY A 43 10.690 42.315 18.674 1.00 12.14 O ATOM 640 HA3 GLY A 43 8.730 41.424 16.342 1.00 0.00 H ATOM 641 HA2 GLY A 43 8.102 42.794 17.287 1.00 0.00 H ATOM 642 H GLY A 43 10.783 43.329 16.291 1.00 0.00 H ATOM 643 N CYS A 44 9.167 40.637 18.695 1.00 15.28 N ATOM 644 CA CYS A 44 9.664 39.946 19.880 1.00 15.94 C ATOM 645 C CYS A 44 10.444 38.700 19.486 1.00 15.58 C ATOM 646 O CYS A 44 10.233 38.145 18.411 1.00 17.48 O ATOM 647 CB CYS A 44 8.494 39.483 20.741 1.00 15.05 C ATOM 648 SG CYS A 44 7.485 40.770 21.523 1.00 16.45 S ATOM 649 HA CYS A 44 10.303 40.642 20.423 1.00 0.00 H ATOM 650 HB2 CYS A 44 8.898 38.855 21.535 1.00 0.00 H ATOM 651 HB3 CYS A 44 7.835 38.888 20.108 1.00 0.00 H ATOM 652 HG CYS A 44 7.777 41.674 20.522 1.00 0.00 H ATOM 653 H CYS A 44 8.339 40.236 18.210 1.00 0.00 H ATOM 654 N ALA A 45 11.319 38.238 20.374 1.00 15.83 N ATOM 655 CA ALA A 45 12.091 37.032 20.103 1.00 16.30 C ATOM 656 C ALA A 45 12.678 36.409 21.365 1.00 15.84 C ATOM 657 O ALA A 45 12.973 37.103 22.338 1.00 15.65 O ATOM 658 CB ALA A 45 13.216 37.342 19.103 1.00 16.40 C ATOM 659 HA ALA A 45 11.401 36.303 19.677 1.00 0.00 H ATOM 660 HB1 ALA A 45 12.782 37.708 18.172 1.00 0.00 H ATOM 661 HB2 ALA A 45 13.874 38.103 19.523 1.00 0.00 H ATOM 662 HB3 ALA A 45 13.787 36.434 18.907 1.00 0.00 H ATOM 663 H ALA A 45 11.454 38.743 21.273 1.00 0.00 H ATOM 664 N ALA A 46 12.826 35.089 21.349 1.00 16.64 N ATOM 665 CA ALA A 46 13.423 34.369 22.470 1.00 18.77 C ATOM 666 C ALA A 46 14.894 34.228 22.079 1.00 19.17 C ATOM 667 O ALA A 46 15.797 34.435 22.891 1.00 21.74 O ATOM 668 CB ALA A 46 12.782 32.994 22.624 1.00 18.66 C ATOM 669 HA ALA A 46 13.286 34.885 23.420 1.00 0.00 H ATOM 670 HB1 ALA A 46 11.714 33.111 22.806 1.00 0.00 H ATOM 671 HB2 ALA A 46 12.935 32.419 21.711 1.00 0.00 H ATOM 672 HB3 ALA A 46 13.240 32.473 23.465 1.00 0.00 H ATOM 673 H ALA A 46 12.508 34.554 20.516 1.00 0.00 H ATOM 674 N THR A 47 15.108 33.881 20.814 1.00 17.44 N ATOM 675 CA THR A 47 16.441 33.726 20.241 1.00 17.87 C ATOM 676 C THR A 47 16.509 34.690 19.062 1.00 16.98 C ATOM 677 O THR A 47 15.569 34.778 18.272 1.00 16.71 O ATOM 678 CB THR A 47 16.669 32.296 19.700 1.00 20.02 C ATOM 679 OG1 THR A 47 16.496 31.345 20.757 1.00 21.25 O ATOM 680 CG2 THR A 47 18.077 32.161 19.131 1.00 20.60 C ATOM 681 HA THR A 47 17.194 33.921 21.004 1.00 0.00 H ATOM 682 HB THR A 47 15.944 32.105 18.909 1.00 0.00 H ATOM 683 HG1 THR A 47 15.577 31.417 21.117 1.00 0.00 H ATOM 684 HG23 THR A 47 18.213 32.883 18.326 1.00 0.00 H ATOM 685 HG21 THR A 47 18.806 32.352 19.919 1.00 0.00 H ATOM 686 HG22 THR A 47 18.215 31.152 18.743 1.00 0.00 H ATOM 687 H THR A 47 14.284 33.711 20.202 1.00 0.00 H ATOM 688 N CYS A 48 17.628 35.391 18.935 1.00 15.39 N ATOM 689 CA CYS A 48 17.815 36.337 17.842 1.00 15.82 C ATOM 690 C CYS A 48 17.671 35.643 16.487 1.00 15.72 C ATOM 691 O CYS A 48 18.269 34.594 16.259 1.00 13.71 O ATOM 692 CB CYS A 48 19.207 36.964 17.929 1.00 15.52 C ATOM 693 SG CYS A 48 19.570 37.779 19.494 1.00 21.48 S ATOM 694 HA CYS A 48 17.050 37.108 17.930 1.00 0.00 H ATOM 695 HB2 CYS A 48 19.297 37.703 17.132 1.00 0.00 H ATOM 696 HB3 CYS A 48 19.945 36.176 17.777 1.00 0.00 H ATOM 697 HG CYS A 48 19.481 36.861 20.520 1.00 0.00 H ATOM 698 H CYS A 48 18.390 35.263 19.631 1.00 0.00 H ATOM 699 N PRO A 49 16.866 36.216 15.574 1.00 16.95 N ATOM 700 CA PRO A 49 16.686 35.613 14.247 1.00 21.20 C ATOM 701 C PRO A 49 18.055 35.434 13.586 1.00 24.19 C ATOM 702 O PRO A 49 18.848 36.374 13.535 1.00 24.68 O ATOM 703 CB PRO A 49 15.822 36.640 13.520 1.00 22.55 C ATOM 704 CG PRO A 49 14.988 37.218 14.633 1.00 23.21 C ATOM 705 CD PRO A 49 16.018 37.412 15.728 1.00 18.93 C ATOM 706 HA PRO A 49 16.225 34.625 14.252 1.00 0.00 H ATOM 707 HD3 PRO A 49 16.592 38.326 15.574 1.00 0.00 H ATOM 708 HD2 PRO A 49 15.549 37.440 16.712 1.00 0.00 H ATOM 709 HG3 PRO A 49 14.205 36.526 14.943 1.00 0.00 H ATOM 710 HG2 PRO A 49 14.537 38.166 14.340 1.00 0.00 H ATOM 711 HB2 PRO A 49 16.436 37.408 13.049 1.00 0.00 H ATOM 712 HB3 PRO A 49 15.196 36.164 12.766 1.00 0.00 H ATOM 713 N SER A 50 18.321 34.233 13.081 1.00 25.43 N ATOM 714 CA SER A 50 19.597 33.932 12.434 1.00 27.77 C ATOM 715 C SER A 50 19.949 34.928 11.334 1.00 29.09 C ATOM 716 O SER A 50 19.077 35.387 10.598 1.00 29.05 O ATOM 717 CB SER A 50 19.570 32.520 11.844 1.00 27.20 C ATOM 718 OG SER A 50 19.361 31.551 12.854 1.00 28.30 O ATOM 719 HA SER A 50 20.363 34.006 13.206 1.00 0.00 H ATOM 720 HB2 SER A 50 20.522 32.321 11.351 1.00 0.00 H ATOM 721 HB3 SER A 50 18.763 32.454 11.114 1.00 0.00 H ATOM 722 HG SER A 50 19.348 30.649 12.447 1.00 0.00 H ATOM 723 H SER A 50 17.600 33.486 13.148 1.00 0.00 H ATOM 724 N LYS A 51 21.235 35.250 11.224 1.00 30.79 N ATOM 725 CA LYS A 51 21.707 36.188 10.207 1.00 34.24 C ATOM 726 C LYS A 51 21.715 35.586 8.797 1.00 37.04 C ATOM 727 O LYS A 51 22.462 34.651 8.510 1.00 38.72 O ATOM 728 CB LYS A 51 23.115 36.685 10.565 1.00 33.60 C ATOM 729 CG LYS A 51 23.714 37.672 9.561 1.00 33.19 C ATOM 730 CD LYS A 51 22.834 38.906 9.386 1.00 31.53 C ATOM 731 CE LYS A 51 23.438 39.887 8.397 1.00 29.30 C ATOM 732 NZ LYS A 51 23.605 39.305 7.037 1.00 25.84 N ATOM 733 HA LYS A 51 21.004 37.021 10.196 1.00 0.00 H ATOM 734 HB2 LYS A 51 23.066 37.175 11.537 1.00 0.00 H ATOM 735 HB3 LYS A 51 23.776 35.820 10.628 1.00 0.00 H ATOM 736 HG2 LYS A 51 24.695 37.986 9.917 1.00 0.00 H ATOM 737 HG3 LYS A 51 23.820 37.174 8.597 1.00 0.00 H ATOM 738 HD2 LYS A 51 21.855 38.594 9.022 1.00 0.00 H ATOM 739 HD3 LYS A 51 22.721 39.400 10.351 1.00 0.00 H ATOM 740 HE2 LYS A 51 24.416 40.197 8.766 1.00 0.00 H ATOM 741 HE3 LYS A 51 22.785 40.757 8.326 1.00 0.00 H ATOM 742 HZ1 LYS A 51 24.234 38.478 7.090 1.00 0.00 H ATOM 743 HZ2 LYS A 51 22.677 39.013 6.670 1.00 0.00 H ATOM 744 HZ3 LYS A 51 24.021 40.018 6.405 1.00 0.00 H ATOM 745 H LYS A 51 21.922 34.824 11.878 1.00 0.00 H ATOM 746 N LYS A 52 20.879 36.145 7.928 1.00 38.15 N ATOM 747 CA LYS A 52 20.749 35.709 6.541 1.00 39.34 C ATOM 748 C LYS A 52 21.537 36.644 5.618 1.00 39.53 C ATOM 749 O LYS A 52 21.510 37.863 5.789 1.00 39.10 O ATOM 750 CB LYS A 52 19.262 35.698 6.159 1.00 40.05 C ATOM 751 CG LYS A 52 18.921 36.253 4.779 1.00 41.53 C ATOM 752 CD LYS A 52 19.242 35.280 3.662 1.00 42.28 C ATOM 753 CE LYS A 52 18.824 35.848 2.317 1.00 42.06 C ATOM 754 NZ LYS A 52 17.377 36.193 2.297 1.00 43.09 N ATOM 755 HA LYS A 52 21.156 34.704 6.431 1.00 0.00 H ATOM 756 HB2 LYS A 52 18.915 34.665 6.198 1.00 0.00 H ATOM 757 HB3 LYS A 52 18.723 36.290 6.899 1.00 0.00 H ATOM 758 HG2 LYS A 52 17.856 36.481 4.748 1.00 0.00 H ATOM 759 HG3 LYS A 52 19.492 37.168 4.620 1.00 0.00 H ATOM 760 HD2 LYS A 52 20.315 35.088 3.652 1.00 0.00 H ATOM 761 HD3 LYS A 52 18.709 34.346 3.837 1.00 0.00 H ATOM 762 HE2 LYS A 52 19.023 35.107 1.542 1.00 0.00 H ATOM 763 HE3 LYS A 52 19.406 36.748 2.116 1.00 0.00 H ATOM 764 HZ1 LYS A 52 16.815 35.338 2.483 1.00 0.00 H ATOM 765 HZ2 LYS A 52 17.181 36.904 3.030 1.00 0.00 H ATOM 766 HZ3 LYS A 52 17.126 36.578 1.364 1.00 0.00 H ATOM 767 H LYS A 52 20.286 36.935 8.253 1.00 0.00 H ATOM 768 N PRO A 53 22.254 36.080 4.629 1.00 39.74 N ATOM 769 CA PRO A 53 23.059 36.845 3.667 1.00 39.53 C ATOM 770 C PRO A 53 22.555 38.222 3.220 1.00 38.42 C ATOM 771 O PRO A 53 23.260 39.219 3.373 1.00 39.82 O ATOM 772 CB PRO A 53 23.197 35.873 2.501 1.00 40.15 C ATOM 773 CG PRO A 53 23.363 34.578 3.209 1.00 40.87 C ATOM 774 CD PRO A 53 22.305 34.640 4.305 1.00 40.43 C ATOM 775 HA PRO A 53 23.990 37.153 4.143 1.00 0.00 H ATOM 776 HD3 PRO A 53 21.341 34.285 3.941 1.00 0.00 H ATOM 777 HD2 PRO A 53 22.603 34.052 5.173 1.00 0.00 H ATOM 778 HG3 PRO A 53 24.362 34.491 3.635 1.00 0.00 H ATOM 779 HG2 PRO A 53 23.181 33.739 2.537 1.00 0.00 H ATOM 780 HB2 PRO A 53 22.305 35.873 1.875 1.00 0.00 H ATOM 781 HB3 PRO A 53 24.068 36.107 1.889 1.00 0.00 H ATOM 782 N TYR A 54 21.347 38.287 2.672 1.00 36.58 N ATOM 783 CA TYR A 54 20.822 39.564 2.198 1.00 36.09 C ATOM 784 C TYR A 54 19.743 40.153 3.105 1.00 34.07 C ATOM 785 O TYR A 54 18.731 40.686 2.644 1.00 34.51 O ATOM 786 CB TYR A 54 20.311 39.386 0.769 1.00 39.35 C ATOM 787 CG TYR A 54 21.378 38.811 -0.141 1.00 42.76 C ATOM 788 CD1 TYR A 54 22.515 39.553 -0.470 1.00 44.18 C ATOM 789 CD2 TYR A 54 21.286 37.503 -0.618 1.00 45.20 C ATOM 790 CE1 TYR A 54 23.537 39.004 -1.249 1.00 45.88 C ATOM 791 CE2 TYR A 54 22.302 36.943 -1.397 1.00 46.14 C ATOM 792 CZ TYR A 54 23.424 37.699 -1.707 1.00 46.92 C ATOM 793 OH TYR A 54 24.434 37.145 -2.465 1.00 48.72 O ATOM 794 HA TYR A 54 21.636 40.288 2.218 1.00 0.00 H ATOM 795 HB3 TYR A 54 20.001 40.356 0.381 1.00 0.00 H ATOM 796 HB2 TYR A 54 19.455 38.711 0.781 1.00 0.00 H ATOM 797 HD2 TYR A 54 20.405 36.907 -0.379 1.00 0.00 H ATOM 798 HE2 TYR A 54 22.214 35.919 -1.759 1.00 0.00 H ATOM 799 HE1 TYR A 54 24.418 39.597 -1.495 1.00 0.00 H ATOM 800 HD1 TYR A 54 22.607 40.579 -0.113 1.00 0.00 H ATOM 801 HH TYR A 54 25.153 37.813 -2.593 1.00 0.00 H ATOM 802 H TYR A 54 20.773 37.425 2.580 1.00 0.00 H ATOM 803 N GLU A 55 19.994 40.071 4.406 1.00 29.81 N ATOM 804 CA GLU A 55 19.074 40.571 5.420 1.00 26.49 C ATOM 805 C GLU A 55 19.880 41.175 6.564 1.00 23.23 C ATOM 806 O GLU A 55 20.950 40.675 6.899 1.00 22.45 O ATOM 807 CB GLU A 55 18.251 39.408 5.975 1.00 30.19 C ATOM 808 CG GLU A 55 16.753 39.515 5.814 1.00 36.52 C ATOM 809 CD GLU A 55 16.036 38.278 6.334 1.00 37.52 C ATOM 810 OE1 GLU A 55 16.225 37.931 7.519 1.00 39.75 O ATOM 811 OE2 GLU A 55 15.285 37.654 5.558 1.00 40.75 O ATOM 812 HA GLU A 55 18.416 41.319 4.978 1.00 0.00 H ATOM 813 HB2 GLU A 55 18.576 38.499 5.469 1.00 0.00 H ATOM 814 HB3 GLU A 55 18.466 39.326 7.040 1.00 0.00 H ATOM 815 HG2 GLU A 55 16.400 40.386 6.367 1.00 0.00 H ATOM 816 HG3 GLU A 55 16.520 39.639 4.756 1.00 0.00 H ATOM 817 H GLU A 55 20.885 39.631 4.715 1.00 0.00 H ATOM 818 N GLU A 56 19.373 42.251 7.155 1.00 20.89 N ATOM 819 CA GLU A 56 20.046 42.878 8.285 1.00 20.18 C ATOM 820 C GLU A 56 19.194 42.584 9.512 1.00 19.37 C ATOM 821 O GLU A 56 17.969 42.700 9.466 1.00 18.64 O ATOM 822 CB GLU A 56 20.156 44.393 8.096 1.00 21.69 C ATOM 823 CG GLU A 56 20.774 44.823 6.780 1.00 25.26 C ATOM 824 CD GLU A 56 21.003 46.319 6.710 1.00 26.21 C ATOM 825 OE1 GLU A 56 20.118 47.080 7.156 1.00 27.65 O ATOM 826 OE2 GLU A 56 22.063 46.734 6.201 1.00 28.65 O ATOM 827 HA GLU A 56 21.059 42.487 8.384 1.00 0.00 H ATOM 828 HB2 GLU A 56 19.153 44.817 8.155 1.00 0.00 H ATOM 829 HB3 GLU A 56 20.767 44.793 8.905 1.00 0.00 H ATOM 830 HG2 GLU A 56 21.732 44.316 6.661 1.00 0.00 H ATOM 831 HG3 GLU A 56 20.107 44.532 5.968 1.00 0.00 H ATOM 832 H GLU A 56 18.480 42.653 6.805 1.00 0.00 H ATOM 833 N VAL A 57 19.835 42.195 10.606 1.00 17.04 N ATOM 834 CA VAL A 57 19.103 41.888 11.821 1.00 16.78 C ATOM 835 C VAL A 57 19.766 42.506 13.033 1.00 16.62 C ATOM 836 O VAL A 57 20.985 42.432 13.197 1.00 14.61 O ATOM 837 CB VAL A 57 19.000 40.363 12.064 1.00 18.53 C ATOM 838 CG1 VAL A 57 18.210 40.093 13.342 1.00 18.24 C ATOM 839 CG2 VAL A 57 18.337 39.685 10.879 1.00 21.82 C ATOM 840 HA VAL A 57 18.105 42.304 11.684 1.00 0.00 H ATOM 841 HB VAL A 57 20.004 39.954 12.178 1.00 0.00 H ATOM 842 HG11 VAL A 57 18.718 40.559 14.187 1.00 0.00 H ATOM 843 HG12 VAL A 57 17.208 40.511 13.243 1.00 0.00 H ATOM 844 HG13 VAL A 57 18.142 39.017 13.505 1.00 0.00 H ATOM 845 HG21 VAL A 57 17.335 40.093 10.742 1.00 0.00 H ATOM 846 HG22 VAL A 57 18.929 39.864 9.982 1.00 0.00 H ATOM 847 HG23 VAL A 57 18.272 38.613 11.065 1.00 0.00 H ATOM 848 H VAL A 57 20.871 42.109 10.593 1.00 0.00 H ATOM 849 N THR A 58 18.948 43.136 13.864 1.00 15.74 N ATOM 850 CA THR A 58 19.411 43.729 15.107 1.00 16.19 C ATOM 851 C THR A 58 18.538 43.176 16.220 1.00 17.96 C ATOM 852 O THR A 58 17.312 43.133 16.093 1.00 16.91 O ATOM 853 CB THR A 58 19.249 45.257 15.131 1.00 16.92 C ATOM 854 OG1 THR A 58 20.141 45.856 14.184 1.00 15.90 O ATOM 855 CG2 THR A 58 19.552 45.793 16.533 1.00 15.70 C ATOM 856 HA THR A 58 20.469 43.494 15.220 1.00 0.00 H ATOM 857 HB THR A 58 18.222 45.508 14.866 1.00 0.00 H ATOM 858 HG1 THR A 58 20.031 46.840 14.205 1.00 0.00 H ATOM 859 HG23 THR A 58 18.871 45.335 17.251 1.00 0.00 H ATOM 860 HG21 THR A 58 20.581 45.549 16.799 1.00 0.00 H ATOM 861 HG22 THR A 58 19.419 46.875 16.544 1.00 0.00 H ATOM 862 H THR A 58 17.940 43.208 13.618 1.00 0.00 H ATOM 863 N CYS A 59 19.164 42.713 17.305 1.00 18.74 N ATOM 864 CA CYS A 59 18.430 42.177 18.458 1.00 20.57 C ATOM 865 C CYS A 59 18.999 42.811 19.722 1.00 20.96 C ATOM 866 O CYS A 59 20.219 42.866 19.904 1.00 21.11 O ATOM 867 CB CYS A 59 18.564 40.658 18.541 1.00 24.45 C ATOM 868 SG CYS A 59 20.241 40.077 18.858 1.00 30.38 S ATOM 869 HA CYS A 59 17.371 42.412 18.350 1.00 0.00 H ATOM 870 HB2 CYS A 59 18.228 40.233 17.595 1.00 0.00 H ATOM 871 HB3 CYS A 59 17.921 40.302 19.346 1.00 0.00 H ATOM 872 HG CYS A 59 20.246 38.698 18.913 1.00 0.00 H ATOM 873 H CYS A 59 20.203 42.733 17.334 1.00 0.00 H ATOM 874 N CYS A 60 18.117 43.267 20.605 1.00 18.02 N ATOM 875 CA CYS A 60 18.532 43.957 21.808 1.00 17.20 C ATOM 876 C CYS A 60 17.672 43.535 22.993 1.00 18.30 C ATOM 877 O CYS A 60 16.629 42.895 22.818 1.00 15.95 O ATOM 878 CB CYS A 60 18.446 45.452 21.547 1.00 17.47 C ATOM 879 SG CYS A 60 16.843 45.918 20.829 1.00 18.88 S ATOM 880 HA CYS A 60 19.559 43.697 22.063 1.00 0.00 H ATOM 881 HB2 CYS A 60 19.239 45.736 20.856 1.00 0.00 H ATOM 882 HB3 CYS A 60 18.579 45.984 22.489 1.00 0.00 H ATOM 883 HG CYS A 60 16.398 46.664 19.757 1.00 0.00 H ATOM 884 H CYS A 60 17.102 43.125 20.427 1.00 0.00 H ATOM 885 N SER A 61 18.093 43.904 24.195 1.00 18.58 N ATOM 886 CA SER A 61 17.366 43.461 25.372 1.00 20.43 C ATOM 887 C SER A 61 16.836 44.479 26.370 1.00 20.22 C ATOM 888 O SER A 61 16.635 44.144 27.534 1.00 21.03 O ATOM 889 CB SER A 61 18.212 42.416 26.100 1.00 23.77 C ATOM 890 OG SER A 61 19.504 42.919 26.371 1.00 25.57 O ATOM 891 HA SER A 61 16.438 43.078 24.948 1.00 0.00 H ATOM 892 HB2 SER A 61 18.298 41.527 25.476 1.00 0.00 H ATOM 893 HB3 SER A 61 17.726 42.153 27.040 1.00 0.00 H ATOM 894 HG SER A 61 20.034 42.228 26.842 1.00 0.00 H ATOM 895 H SER A 61 18.936 44.505 24.294 1.00 0.00 H ATOM 896 N THR A 62 16.625 45.718 25.938 1.00 19.69 N ATOM 897 CA THR A 62 16.041 46.718 26.830 1.00 20.66 C ATOM 898 C THR A 62 14.728 47.178 26.195 1.00 19.13 C ATOM 899 O THR A 62 14.571 47.132 24.972 1.00 18.29 O ATOM 900 CB THR A 62 16.983 47.928 27.081 1.00 21.08 C ATOM 901 OG1 THR A 62 17.342 48.545 25.841 1.00 22.21 O ATOM 902 CG2 THR A 62 18.243 47.470 27.808 1.00 21.86 C ATOM 903 HA THR A 62 15.874 46.270 27.809 1.00 0.00 H ATOM 904 HB THR A 62 16.455 48.654 27.699 1.00 0.00 H ATOM 905 HG1 THR A 62 17.808 47.886 25.268 1.00 0.00 H ATOM 906 HG23 THR A 62 17.966 47.001 28.752 1.00 0.00 H ATOM 907 HG21 THR A 62 18.779 46.752 27.187 1.00 0.00 H ATOM 908 HG22 THR A 62 18.882 48.331 28.003 1.00 0.00 H ATOM 909 H THR A 62 16.876 45.977 24.963 1.00 0.00 H ATOM 910 N ASP A 63 13.777 47.597 27.023 1.00 19.58 N ATOM 911 CA ASP A 63 12.472 48.028 26.524 1.00 18.86 C ATOM 912 C ASP A 63 12.525 49.023 25.362 1.00 18.47 C ATOM 913 O ASP A 63 13.232 50.032 25.416 1.00 16.79 O ATOM 914 CB ASP A 63 11.632 48.642 27.656 1.00 20.63 C ATOM 915 CG ASP A 63 11.228 47.630 28.721 1.00 20.67 C ATOM 916 OD1 ASP A 63 11.243 46.408 28.463 1.00 19.66 O ATOM 917 OD2 ASP A 63 10.867 48.071 29.830 1.00 24.93 O ATOM 918 HA ASP A 63 12.012 47.117 26.140 1.00 0.00 H ATOM 919 HB2 ASP A 63 12.215 49.431 28.131 1.00 0.00 H ATOM 920 HB3 ASP A 63 10.728 49.070 27.224 1.00 0.00 H ATOM 921 H ASP A 63 13.965 47.619 28.046 1.00 0.00 H ATOM 922 N LYS A 64 11.758 48.721 24.318 1.00 16.20 N ATOM 923 CA LYS A 64 11.647 49.560 23.130 1.00 16.80 C ATOM 924 C LYS A 64 12.988 49.921 22.498 1.00 16.20 C ATOM 925 O LYS A 64 13.174 51.016 21.966 1.00 14.96 O ATOM 926 CB LYS A 64 10.852 50.819 23.482 1.00 18.87 C ATOM 927 CG LYS A 64 9.429 50.501 23.936 1.00 22.42 C ATOM 928 CD LYS A 64 8.673 51.729 24.422 1.00 26.95 C ATOM 929 CE LYS A 64 8.416 52.706 23.296 1.00 30.46 C ATOM 930 NZ LYS A 64 7.558 53.847 23.739 1.00 35.54 N ATOM 931 HA LYS A 64 11.123 48.978 22.372 1.00 0.00 H ATOM 932 HB2 LYS A 64 11.367 51.345 24.286 1.00 0.00 H ATOM 933 HB3 LYS A 64 10.804 51.460 22.602 1.00 0.00 H ATOM 934 HG2 LYS A 64 8.885 50.067 23.097 1.00 0.00 H ATOM 935 HG3 LYS A 64 9.477 49.777 24.750 1.00 0.00 H ATOM 936 HD2 LYS A 64 7.718 51.414 24.842 1.00 0.00 H ATOM 937 HD3 LYS A 64 9.262 52.225 25.194 1.00 0.00 H ATOM 938 HE2 LYS A 64 7.915 52.183 22.481 1.00 0.00 H ATOM 939 HE3 LYS A 64 9.370 53.097 22.943 1.00 0.00 H ATOM 940 HZ1 LYS A 64 6.643 53.482 24.072 1.00 0.00 H ATOM 941 HZ2 LYS A 64 8.032 54.356 24.513 1.00 0.00 H ATOM 942 HZ3 LYS A 64 7.405 54.494 22.940 1.00 0.00 H ATOM 943 H LYS A 64 11.208 47.839 24.351 1.00 0.00 H ATOM 944 N CYS A 65 13.911 48.971 22.537 1.00 15.50 N ATOM 945 CA CYS A 65 15.239 49.172 21.976 1.00 16.21 C ATOM 946 C CYS A 65 15.270 48.932 20.463 1.00 15.70 C ATOM 947 O CYS A 65 16.297 49.146 19.821 1.00 16.11 O ATOM 948 CB CYS A 65 16.227 48.234 22.665 1.00 15.35 C ATOM 949 SG CYS A 65 15.829 46.465 22.497 1.00 15.83 S ATOM 950 HA CYS A 65 15.519 50.211 22.148 1.00 0.00 H ATOM 951 HB2 CYS A 65 16.247 48.480 23.727 1.00 0.00 H ATOM 952 HB3 CYS A 65 17.214 48.404 22.236 1.00 0.00 H ATOM 953 HG CYS A 65 14.554 46.862 22.149 1.00 0.00 H ATOM 954 H CYS A 65 13.681 48.059 22.980 1.00 0.00 H ATOM 955 N ASN A 66 14.141 48.507 19.897 1.00 13.87 N ATOM 956 CA ASN A 66 14.055 48.212 18.465 1.00 13.54 C ATOM 957 C ASN A 66 13.114 49.157 17.719 1.00 13.76 C ATOM 958 O ASN A 66 12.175 48.716 17.051 1.00 14.58 O ATOM 959 CB ASN A 66 13.568 46.773 18.269 1.00 11.90 C ATOM 960 CG ASN A 66 12.127 46.579 18.734 1.00 12.78 C ATOM 961 OD1 ASN A 66 11.692 47.191 19.715 1.00 13.65 O ATOM 962 ND2 ASN A 66 11.385 45.723 18.035 1.00 9.65 N ATOM 963 HA ASN A 66 15.054 48.349 18.052 1.00 0.00 H ATOM 964 HB2 ASN A 66 13.631 46.523 17.210 1.00 0.00 H ATOM 965 HB3 ASN A 66 14.213 46.104 18.838 1.00 0.00 H ATOM 966 HD22 ASN A 66 11.793 45.230 17.216 1.00 0.00 H ATOM 967 HD21 ASN A 66 10.397 45.548 18.308 1.00 0.00 H ATOM 968 H ASN A 66 13.296 48.381 20.490 1.00 0.00 H ATOM 969 N PRO A 67 13.358 50.469 17.804 1.00 15.33 N ATOM 970 CA PRO A 67 12.462 51.386 17.099 1.00 14.82 C ATOM 971 C PRO A 67 12.616 51.364 15.585 1.00 15.65 C ATOM 972 O PRO A 67 13.595 50.843 15.040 1.00 15.67 O ATOM 973 CB PRO A 67 12.851 52.744 17.669 1.00 17.09 C ATOM 974 CG PRO A 67 14.350 52.592 17.811 1.00 15.83 C ATOM 975 CD PRO A 67 14.471 51.204 18.439 1.00 16.77 C ATOM 976 HA PRO A 67 11.417 51.116 17.249 1.00 0.00 H ATOM 977 HD3 PRO A 67 15.432 50.746 18.203 1.00 0.00 H ATOM 978 HD2 PRO A 67 14.348 51.249 19.521 1.00 0.00 H ATOM 979 HG3 PRO A 67 14.766 53.360 18.463 1.00 0.00 H ATOM 980 HG2 PRO A 67 14.846 52.633 16.841 1.00 0.00 H ATOM 981 HB2 PRO A 67 12.595 53.552 16.984 1.00 0.00 H ATOM 982 HB3 PRO A 67 12.375 52.923 18.633 1.00 0.00 H ATOM 983 N HIS A 68 11.627 51.937 14.916 1.00 15.01 N ATOM 984 CA HIS A 68 11.660 52.073 13.472 1.00 15.45 C ATOM 985 C HIS A 68 12.796 53.084 13.269 1.00 17.16 C ATOM 986 O HIS A 68 12.990 53.969 14.099 1.00 16.70 O ATOM 987 CB HIS A 68 10.340 52.674 12.984 1.00 14.44 C ATOM 988 CG HIS A 68 10.318 52.981 11.521 1.00 15.18 C ATOM 989 ND1 HIS A 68 11.340 53.650 10.883 1.00 17.70 N ATOM 990 CD2 HIS A 68 9.394 52.711 10.569 1.00 15.41 C ATOM 991 CE1 HIS A 68 11.047 53.777 9.601 1.00 15.74 C ATOM 992 NE2 HIS A 68 9.871 53.216 9.385 1.00 16.96 N ATOM 993 HA HIS A 68 11.802 51.133 12.938 1.00 0.00 H ATOM 994 HB2 HIS A 68 9.540 51.965 13.198 1.00 0.00 H ATOM 995 HB3 HIS A 68 10.161 53.599 13.532 1.00 0.00 H ATOM 996 HD2 HIS A 68 8.448 52.190 10.715 1.00 0.00 H ATOM 997 HE1 HIS A 68 11.670 54.262 8.849 1.00 0.00 H ATOM 998 H HIS A 68 10.805 52.299 15.440 1.00 0.00 H ATOM 999 N PRO A 69 13.563 52.960 12.175 1.00 17.70 N ATOM 1000 CA PRO A 69 14.673 53.880 11.897 1.00 19.99 C ATOM 1001 C PRO A 69 14.318 55.360 12.071 1.00 22.22 C ATOM 1002 O PRO A 69 15.175 56.173 12.415 1.00 22.83 O ATOM 1003 CB PRO A 69 15.038 53.540 10.457 1.00 20.91 C ATOM 1004 CG PRO A 69 14.798 52.063 10.409 1.00 19.91 C ATOM 1005 CD PRO A 69 13.474 51.915 11.139 1.00 18.16 C ATOM 1006 HA PRO A 69 15.495 53.752 12.602 1.00 0.00 H ATOM 1007 HD3 PRO A 69 12.633 52.094 10.470 1.00 0.00 H ATOM 1008 HD2 PRO A 69 13.378 50.925 11.585 1.00 0.00 H ATOM 1009 HG3 PRO A 69 15.592 51.519 10.920 1.00 0.00 H ATOM 1010 HG2 PRO A 69 14.722 51.710 9.380 1.00 0.00 H ATOM 1011 HB2 PRO A 69 14.397 54.068 9.751 1.00 0.00 H ATOM 1012 HB3 PRO A 69 16.081 53.778 10.247 1.00 0.00 H ATOM 1013 N LYS A 70 13.055 55.703 11.840 1.00 23.80 N ATOM 1014 CA LYS A 70 12.607 57.086 11.959 1.00 28.11 C ATOM 1015 C LYS A 70 12.252 57.502 13.381 1.00 31.00 C ATOM 1016 O LYS A 70 11.757 58.608 13.597 1.00 30.81 O ATOM 1017 CB LYS A 70 11.402 57.331 11.048 1.00 29.43 C ATOM 1018 CG LYS A 70 11.730 57.356 9.564 1.00 31.69 C ATOM 1019 CD LYS A 70 12.592 58.556 9.210 1.00 34.77 C ATOM 1020 CE LYS A 70 12.864 58.621 7.717 1.00 36.46 C ATOM 1021 NZ LYS A 70 13.626 59.845 7.350 1.00 36.75 N ATOM 1022 HA LYS A 70 13.455 57.699 11.654 1.00 0.00 H ATOM 1023 HB2 LYS A 70 10.675 56.538 11.223 1.00 0.00 H ATOM 1024 HB3 LYS A 70 10.962 58.291 11.316 1.00 0.00 H ATOM 1025 HG2 LYS A 70 12.266 56.444 9.303 1.00 0.00 H ATOM 1026 HG3 LYS A 70 10.801 57.405 8.995 1.00 0.00 H ATOM 1027 HD2 LYS A 70 12.077 59.466 9.517 1.00 0.00 H ATOM 1028 HD3 LYS A 70 13.541 58.480 9.741 1.00 0.00 H ATOM 1029 HE2 LYS A 70 11.913 58.623 7.184 1.00 0.00 H ATOM 1030 HE3 LYS A 70 13.441 57.744 7.424 1.00 0.00 H ATOM 1031 HZ1 LYS A 70 13.079 60.687 7.621 1.00 0.00 H ATOM 1032 HZ2 LYS A 70 14.538 59.847 7.850 1.00 0.00 H ATOM 1033 HZ3 LYS A 70 13.792 59.854 6.323 1.00 0.00 H ATOM 1034 H LYS A 70 12.371 54.969 11.568 1.00 0.00 H ATOM 1035 N GLN A 71 12.500 56.624 14.349 1.00 33.15 N ATOM 1036 CA GLN A 71 12.196 56.935 15.745 1.00 36.91 C ATOM 1037 C GLN A 71 13.373 56.658 16.676 1.00 37.31 C ATOM 1038 O GLN A 71 14.248 55.846 16.369 1.00 36.99 O ATOM 1039 CB GLN A 71 10.988 56.126 16.221 1.00 38.29 C ATOM 1040 CG GLN A 71 9.714 56.376 15.441 1.00 43.42 C ATOM 1041 CD GLN A 71 8.510 55.708 16.080 1.00 45.00 C ATOM 1042 OE1 GLN A 71 8.157 56.007 17.220 1.00 46.43 O ATOM 1043 NE2 GLN A 71 7.875 54.797 15.349 1.00 46.19 N ATOM 1044 HA GLN A 71 11.977 58.002 15.784 1.00 0.00 H ATOM 1045 HB2 GLN A 71 11.234 55.067 16.140 1.00 0.00 H ATOM 1046 HB3 GLN A 71 10.802 56.375 17.266 1.00 0.00 H ATOM 1047 HG2 GLN A 71 9.536 57.450 15.394 1.00 0.00 H ATOM 1048 HG3 GLN A 71 9.838 55.985 14.431 1.00 0.00 H ATOM 1049 HE22 GLN A 71 8.209 54.576 14.389 1.00 0.00 H ATOM 1050 HE21 GLN A 71 7.045 54.306 15.737 1.00 0.00 H ATOM 1051 H GLN A 71 12.917 55.702 14.109 1.00 0.00 H ATOM 1052 N ARG A 72 13.421 57.369 17.796 1.00 38.20 N ATOM 1053 CA ARG A 72 14.501 57.165 18.759 1.00 38.86 C ATOM 1054 C ARG A 72 14.127 56.038 19.721 1.00 38.40 C ATOM 1055 O ARG A 72 12.948 55.797 19.973 1.00 36.66 O ATOM 1056 CB ARG A 72 14.764 58.447 19.557 1.00 41.02 C ATOM 1057 CG ARG A 72 13.685 58.799 20.569 1.00 43.39 C ATOM 1058 CD ARG A 72 12.341 59.043 19.899 1.00 45.83 C ATOM 1059 NE ARG A 72 12.460 59.987 18.789 1.00 46.78 N ATOM 1060 CZ ARG A 72 11.434 60.454 18.090 1.00 46.58 C ATOM 1061 NH1 ARG A 72 10.196 60.071 18.383 1.00 46.28 N ATOM 1062 NH2 ARG A 72 11.648 61.297 17.090 1.00 45.76 N ATOM 1063 HA ARG A 72 15.406 56.899 18.212 1.00 0.00 H ATOM 1064 HB2 ARG A 72 15.706 58.327 20.093 1.00 0.00 H ATOM 1065 HB3 ARG A 72 14.851 59.274 18.852 1.00 0.00 H ATOM 1066 HG2 ARG A 72 13.583 57.976 21.277 1.00 0.00 H ATOM 1067 HG3 ARG A 72 13.982 59.701 21.103 1.00 0.00 H ATOM 1068 HD2 ARG A 72 11.646 59.447 20.635 1.00 0.00 H ATOM 1069 HD3 ARG A 72 11.957 58.096 19.520 1.00 0.00 H ATOM 1070 HE ARG A 72 13.413 60.314 18.530 1.00 0.00 H ATOM 1071 HH12 ARG A 72 9.394 60.439 17.833 1.00 0.00 H ATOM 1072 HH11 ARG A 72 10.029 59.403 19.162 1.00 0.00 H ATOM 1073 HH22 ARG A 72 10.846 61.665 16.540 1.00 0.00 H ATOM 1074 HH21 ARG A 72 12.618 61.590 16.856 1.00 0.00 H ATOM 1075 H ARG A 72 12.684 58.077 17.990 1.00 0.00 H ATOM 1076 N PRO A 73 15.091 55.317 20.301 1.00 39.23 N ATOM 1077 CA PRO A 73 14.891 54.191 21.221 1.00 40.22 C ATOM 1078 C PRO A 73 14.387 54.629 22.595 1.00 40.75 C ATOM 1079 O PRO A 73 14.530 55.792 22.976 1.00 41.09 O ATOM 1080 CB PRO A 73 16.284 53.561 21.314 1.00 40.42 C ATOM 1081 CG PRO A 73 16.974 54.016 20.055 1.00 41.21 C ATOM 1082 CD PRO A 73 16.512 55.438 19.938 1.00 39.54 C ATOM 1083 HA PRO A 73 14.125 53.503 20.864 1.00 0.00 H ATOM 1084 HD3 PRO A 73 17.046 56.089 20.631 1.00 0.00 H ATOM 1085 HD2 PRO A 73 16.633 55.814 18.922 1.00 0.00 H ATOM 1086 HG3 PRO A 73 16.658 53.425 19.195 1.00 0.00 H ATOM 1087 HG2 PRO A 73 18.058 53.959 20.155 1.00 0.00 H ATOM 1088 HB2 PRO A 73 16.813 53.919 22.197 1.00 0.00 H ATOM 1089 HB3 PRO A 73 16.216 52.474 21.348 1.00 0.00 H ATOM 1090 N GLY A 74 13.805 53.689 23.334 1.00 40.66 N ATOM 1091 CA GLY A 74 13.309 53.986 24.667 1.00 41.42 C ATOM 1092 C GLY A 74 11.863 54.440 24.727 1.00 42.17 C ATOM 1093 O GLY A 74 11.230 54.589 23.660 1.00 42.52 O ATOM 1094 HA3 GLY A 74 13.929 54.776 25.091 1.00 0.00 H ATOM 1095 HA2 GLY A 74 13.406 53.085 25.273 1.00 0.00 H ATOM 1096 OXT GLY A 74 11.360 54.651 25.850 1.00 43.08 O ATOM 1097 H GLY A 74 13.703 52.727 22.952 1.00 0.00 H TER 1098 GLY A 74 HETATM 1099 O HOH 1 8.606 43.090 30.456 1.00 33.23 O HETATM 1100 O HOH 2 -0.274 39.433 17.021 1.00 44.11 O HETATM 1101 O HOH 3 4.719 40.932 12.217 1.00 44.41 O HETATM 1102 O HOH 4 1.259 41.691 18.221 1.00 31.56 O HETATM 1103 O HOH 5 5.902 52.115 19.295 1.00 20.07 O HETATM 1104 O HOH 6 -2.532 50.821 5.582 1.00 39.00 O HETATM 1105 O HOH 7 -2.058 55.012 7.762 1.00 51.64 O HETATM 1106 O HOH 8 -3.589 55.064 11.559 1.00 51.87 O HETATM 1107 O HOH 9 12.942 38.489 34.002 1.00 49.98 O HETATM 1108 O HOH 10 4.795 40.845 17.561 1.00 52.83 O HETATM 1109 O HOH 11 5.832 41.909 15.369 1.00 32.63 O HETATM 1110 O HOH 12 2.949 57.076 15.256 1.00 52.97 O HETATM 1111 O HOH 13 5.510 42.950 11.013 1.00 32.73 O HETATM 1112 O HOH 14 4.351 45.155 8.824 1.00 34.73 O HETATM 1113 O HOH 15 5.061 38.497 33.787 1.00 41.79 O HETATM 1114 O HOH 16 -1.314 43.511 10.978 1.00 21.49 O HETATM 1115 O HOH 17 2.813 33.003 23.989 1.00 33.13 O HETATM 1116 O HOH 18 10.077 35.024 31.925 1.00 60.06 O HETATM 1117 O HOH 19 12.162 33.884 32.119 1.00 21.51 O HETATM 1118 O HOH 20 12.401 36.164 32.929 1.00 44.99 O HETATM 1119 O HOH 21 2.001 36.458 19.054 1.00 54.76 O HETATM 1120 O HOH 22 -2.737 51.828 8.033 1.00 49.38 O HETATM 1121 O HOH 23 -0.756 54.425 10.703 1.00 29.83 O HETATM 1122 O HOH 24 -4.677 52.849 14.701 1.00 24.40 O HETATM 1123 O HOH 25 7.725 50.466 28.536 1.00 53.61 O HETATM 1124 O HOH 26 17.725 52.838 13.965 1.00 43.57 O HETATM 1125 O HOH 27 19.391 53.174 18.318 1.00 60.43 O HETATM 1126 O HOH 28 4.629 54.548 15.354 1.00 46.49 O HETATM 1127 O HOH 29 13.333 41.293 -3.778 1.00 43.09 O HETATM 1128 O HOH 30 4.734 45.308 30.421 1.00 37.38 O HETATM 1129 O HOH 31 5.645 38.397 29.601 1.00 42.68 O HETATM 1130 O HOH 32 8.873 39.132 27.712 1.00 25.63 O HETATM 1131 O HOH 33 11.432 31.894 17.722 1.00 44.73 O HETATM 1132 O HOH 34 6.201 32.409 22.856 1.00 21.54 O HETATM 1133 O HOH 35 8.065 34.786 18.503 1.00 47.12 O HETATM 1134 O HOH 36 5.776 33.931 19.479 1.00 35.12 O HETATM 1135 O HOH 37 11.967 35.034 30.199 1.00 40.00 O HETATM 1136 O HOH 38 12.203 40.447 29.708 1.00 22.02 O HETATM 1137 O HOH 39 15.371 41.411 28.369 1.00 21.63 O HETATM 1138 O HOH 40 15.917 34.422 27.384 1.00 30.24 O HETATM 1139 O HOH 41 9.930 37.186 29.567 1.00 29.78 O HETATM 1140 O HOH 42 20.279 43.878 -1.304 1.00 34.80 O HETATM 1141 O HOH 43 9.641 36.575 13.977 1.00 54.55 O HETATM 1142 O HOH 44 7.625 38.375 15.080 1.00 42.09 O HETATM 1143 O HOH 45 14.278 50.062 30.232 1.00 61.40 O HETATM 1144 O HOH 46 5.365 51.087 27.298 1.00 51.89 O HETATM 1145 O HOH 47 18.400 51.281 17.033 1.00 48.00 O HETATM 1146 O HOH 48 10.345 41.049 0.335 1.00 29.08 O HETATM 1147 O HOH 49 12.477 40.741 -1.234 1.00 37.57 O HETATM 1148 O HOH 50 16.182 45.616 -4.727 1.00 26.50 O HETATM 1149 O HOH 51 12.993 47.653 0.063 1.00 18.54 O HETATM 1150 O HOH 52 15.233 49.091 -5.749 1.00 19.06 O HETATM 1151 O HOH 53 12.410 51.660 -6.169 1.00 31.75 O HETATM 1152 O HOH 54 12.749 58.742 -2.912 1.00 49.25 O HETATM 1153 O HOH 55 9.720 57.724 -1.302 1.00 48.59 O HETATM 1154 O HOH 56 8.179 54.476 -4.146 1.00 46.85 O HETATM 1155 O HOH 57 13.557 57.701 0.525 1.00 32.62 O HETATM 1156 O HOH 58 2.916 50.032 -3.028 1.00 42.61 O HETATM 1157 O HOH 59 22.843 46.474 2.258 1.00 44.45 O HETATM 1158 O HOH 60 19.856 44.056 3.959 1.00 33.56 O HETATM 1159 O HOH 61 6.774 45.824 7.532 1.00 18.98 O HETATM 1160 O HOH 62 7.033 41.485 8.204 1.00 45.44 O HETATM 1161 O HOH 63 6.787 39.425 17.472 1.00 25.15 O HETATM 1162 O HOH 64 10.873 36.249 16.519 1.00 35.28 O HETATM 1163 O HOH 65 15.071 35.827 25.128 1.00 22.94 O HETATM 1164 O HOH 66 12.385 33.432 19.172 1.00 33.08 O HETATM 1165 O HOH 67 18.603 34.213 23.359 1.00 30.95 O HETATM 1166 O HOH 68 13.562 34.555 16.406 1.00 43.81 O HETATM 1167 O HOH 69 13.976 30.131 20.961 1.00 45.65 O HETATM 1168 O HOH 70 19.721 35.210 20.991 1.00 23.74 O HETATM 1169 O HOH 71 20.612 33.549 17.058 1.00 25.60 O HETATM 1170 O HOH 72 21.187 37.323 14.536 1.00 39.22 O HETATM 1171 O HOH 73 20.513 31.122 16.042 1.00 38.00 O HETATM 1172 O HOH 74 24.819 35.088 6.838 1.00 35.41 O HETATM 1173 O HOH 75 25.626 37.391 6.489 1.00 33.36 O HETATM 1174 O HOH 76 19.330 37.768 8.958 1.00 31.03 O HETATM 1175 O HOH 77 18.547 43.103 1.177 1.00 26.45 O HETATM 1176 O HOH 78 24.321 42.098 5.294 1.00 41.27 O HETATM 1177 O HOH 79 25.033 44.506 6.139 1.00 43.25 O HETATM 1178 O HOH 80 21.618 40.108 14.920 1.00 30.36 O HETATM 1179 O HOH 81 21.608 45.585 11.897 1.00 25.21 O HETATM 1180 O HOH 82 21.407 48.229 14.590 1.00 26.68 O HETATM 1181 O HOH 83 19.627 47.970 24.592 1.00 34.50 O HETATM 1182 O HOH 84 9.379 46.169 31.207 1.00 51.59 O HETATM 1183 O HOH 85 14.651 47.519 29.921 1.00 27.60 O HETATM 1184 O HOH 86 5.117 52.666 25.254 1.00 47.76 O HETATM 1185 O HOH 87 14.302 61.431 10.169 1.00 42.00 O HETATM 1186 O HOH 88 14.110 59.058 4.865 1.00 36.64 O HETATM 1187 O HOH 89 9.202 52.724 16.388 1.00 19.89 O HETATM 1188 O HOH 90 9.133 60.500 15.294 1.00 49.28 O HETATM 1189 O HOH 91 11.651 58.310 22.854 1.00 52.93 O HETATM 1190 O HOH 92 11.518 54.076 21.203 1.00 30.15 O HETATM 1191 O HOH 93 2.607 43.221 8.009 1.00 44.13 O HETATM 1192 O HOH 94 4.143 42.830 5.901 1.00 45.65 O HETATM 1193 O HOH 95 -2.711 46.337 4.387 1.00 47.27 O HETATM 1194 O HOH 96 0.036 43.856 8.001 1.00 33.31 O HETATM 1195 O HOH 97 6.648 43.456 5.914 1.00 34.43 O HETATM 1196 O HOH 98 1.077 55.094 1.361 1.00 49.84 O HETATM 1197 O HOH 99 3.030 55.864 2.828 1.00 45.32 O HETATM 1198 O HOH 100 19.096 50.399 5.419 1.00 20.74 O HETATM 1199 O HOH 101 17.841 52.396 8.635 1.00 26.64 O HETATM 1200 O HOH 102 9.206 58.884 1.132 1.00 50.00 O HETATM 1201 O HOH 103 4.339 57.949 3.071 1.00 44.04 O HETATM 1202 O HOH 104 6.423 59.900 6.113 1.00 44.67 O HETATM 1203 O HOH 105 5.570 59.356 8.659 1.00 62.01 O HETATM 1204 O HOH 106 3.862 54.021 12.833 1.00 22.52 O HETATM 1205 O HOH 107 7.952 59.796 8.950 1.00 21.20 O HETATM 1206 O HOH 108 6.782 52.960 5.740 1.00 18.47 O HETATM 1207 O HOH 109 8.252 56.567 2.237 1.00 36.87 O HETATM 1208 N TRP A 110 -0.163 45.310 5.714 1.00 0.24 N HETATM 1209 CA TRP A 110 0.686 46.468 5.328 1.00 0.07 C HETATM 1210 C TRP A 110 2.167 46.150 5.503 1.00 0.23 C HETATM 1211 O TRP A 110 2.540 45.144 6.106 1.00 -0.39 O HETATM 1212 N TRP A 110 3.006 47.025 4.972 1.00 -0.26 N HETATM 1213 CA TRP A 110 4.444 46.842 5.053 1.00 0.13 C HETATM 1214 C TRP A 110 5.104 48.180 5.329 1.00 0.20 C HETATM 1215 O TRP A 110 4.715 49.201 4.758 1.00 -0.39 O HETATM 1216 N TRP A 110 6.091 48.179 6.217 1.00 -0.26 N HETATM 1217 CA TRP A 110 6.805 49.404 6.543 1.00 0.14 C HETATM 1218 C TRP A 110 8.164 49.450 5.850 1.00 0.21 C HETATM 1219 O TRP A 110 8.786 48.415 5.600 1.00 -0.39 O HETATM 1220 N TRP A 110 8.600 50.661 5.532 1.00 -0.26 N HETATM 1221 CA TRP A 110 9.902 50.887 4.920 1.00 0.14 C HETATM 1222 C TRP A 110 10.602 51.909 5.807 1.00 0.21 C HETATM 1223 O TRP A 110 9.946 52.695 6.495 1.00 -0.39 O HETATM 1224 N TRP A 110 11.930 51.907 5.798 1.00 -0.26 N HETATM 1225 CA TRP A 110 12.670 52.827 6.648 1.00 0.13 C HETATM 1226 C TRP A 110 12.407 54.297 6.331 1.00 0.20 C HETATM 1227 O TRP A 110 12.670 55.166 7.158 1.00 -0.39 O HETATM 1228 N TRP A 110 11.864 54.571 5.150 1.00 -0.26 N HETATM 1229 CA TRP A 110 11.597 55.948 4.743 1.00 0.15 C HETATM 1230 C TRP A 110 10.378 56.612 5.388 1.00 0.21 C HETATM 1231 O TRP A 110 10.234 57.834 5.325 1.00 -0.39 O HETATM 1232 N TRP A 110 9.501 55.834 6.016 1.00 -0.26 N HETATM 1233 CA TRP A 110 8.323 56.438 6.634 1.00 0.15 C HETATM 1234 C TRP A 110 7.725 55.654 7.791 1.00 0.21 C HETATM 1235 O TRP A 110 7.764 54.427 7.812 1.00 -0.39 O HETATM 1236 N TRP A 110 7.178 56.382 8.758 1.00 -0.26 N HETATM 1237 CA TRP A 110 6.530 55.766 9.908 1.00 0.13 C HETATM 1238 C TRP A 110 5.128 55.322 9.500 1.00 0.20 C HETATM 1239 O TRP A 110 4.434 54.646 10.257 1.00 -0.39 O HETATM 1240 N TRP A 110 4.717 55.716 8.298 1.00 -0.26 N HETATM 1241 CA TRP A 110 3.411 55.344 7.774 1.00 0.13 C HETATM 1242 C TRP A 110 3.585 54.082 6.932 1.00 0.21 C HETATM 1243 O TRP A 110 4.480 54.005 6.093 1.00 -0.39 O HETATM 1244 N TRP A 110 2.733 53.072 7.151 1.00 -0.25 N HETATM 1245 CA TRP A 110 2.819 51.818 6.398 1.00 0.13 C HETATM 1246 C TRP A 110 2.293 51.893 4.966 1.00 0.20 C HETATM 1247 O TRP A 110 1.429 52.710 4.648 1.00 -0.39 O HETATM 1248 N TRP A 110 2.831 51.034 4.107 1.00 -0.26 N HETATM 1249 CA TRP A 110 2.411 50.966 2.713 1.00 0.14 C HETATM 1250 C TRP A 110 1.494 49.764 2.545 1.00 0.21 C HETATM 1251 O TRP A 110 1.534 48.828 3.345 1.00 -0.39 O HETATM 1252 N TRP A 110 0.654 49.773 1.500 1.00 -0.25 N HETATM 1253 CA TRP A 110 -0.265 48.658 1.250 1.00 0.13 C HETATM 1254 C TRP A 110 0.483 47.329 1.109 1.00 0.20 C HETATM 1255 O TRP A 110 1.712 47.310 1.020 1.00 -0.39 O HETATM 1256 N TRP A 110 -0.273 46.232 1.090 1.00 -0.27 N HETATM 1257 CA TRP A 110 0.269 44.876 0.966 1.00 0.11 C HETATM 1258 C TRP A 110 0.763 44.350 2.308 1.00 0.06 C HETATM 1259 O TRP A 110 0.164 43.380 2.819 1.00 -0.57 O HETATM 1260 OXT TRP A 110 1.742 44.917 2.836 1.00 -0.57 O HETATM 1261 CB TRP A 110 1.418 44.836 -0.051 1.00 0.04 C HETATM 1262 CG TRP A 110 1.001 45.326 -1.423 1.00 0.04 C HETATM 1263 OD1 TRP A 110 1.863 45.361 -2.326 1.00 -0.57 O HETATM 1264 OD2 TRP A 110 -0.185 45.676 -1.601 1.00 -0.57 O HETATM 1265 H107 TRP A 110 1.773 43.799 -0.141 1.00 0.05 H HETATM 1266 H108 TRP A 110 2.236 45.473 0.317 1.00 0.05 H HETATM 1267 H106 TRP A 110 -0.536 44.217 0.609 1.00 0.07 H HETATM 1268 H105 TRP A 110 -1.264 46.340 1.164 1.00 0.19 H HETATM 1269 CB TRP A 110 -0.960 49.074 -0.044 1.00 -0.01 C HETATM 1270 CG TRP A 110 -0.990 50.566 0.069 1.00 -0.03 C HETATM 1271 CD TRP A 110 0.404 50.878 0.558 1.00 0.04 C HETATM 1272 H103 TRP A 110 1.129 50.869 -0.269 1.00 0.05 H HETATM 1273 H104 TRP A 110 0.440 51.853 1.067 1.00 0.05 H HETATM 1274 H101 TRP A 110 -1.750 50.896 0.793 1.00 0.03 H HETATM 1275 H102 TRP A 110 -1.185 51.036 -0.906 1.00 0.03 H HETATM 1276 H99 TRP A 110 -1.977 48.659 -0.100 1.00 0.03 H HETATM 1277 H100 TRP A 110 -0.385 48.754 -0.925 1.00 0.03 H HETATM 1278 H98 TRP A 110 -0.996 48.568 2.067 1.00 0.08 H HETATM 1279 CB TRP A 110 3.613 50.794 1.783 1.00 0.02 C HETATM 1280 CG TRP A 110 4.409 52.048 1.527 1.00 -0.05 C HETATM 1281 CD1 TRP A 110 5.237 52.589 2.508 1.00 -0.07 C HETATM 1282 CE1 TRP A 110 5.984 53.739 2.263 1.00 -0.04 C HETATM 1283 CZ TRP A 110 5.901 54.355 1.022 1.00 0.08 C HETATM 1284 CE2 TRP A 110 5.083 53.836 0.034 1.00 -0.04 C HETATM 1285 CD2 TRP A 110 4.343 52.690 0.290 1.00 -0.07 C HETATM 1286 H94 TRP A 110 3.702 52.286 -0.485 1.00 0.05 H HETATM 1287 H96 TRP A 110 5.021 54.321 -0.933 1.00 0.05 H HETATM 1288 OH TRP A 110 6.636 55.486 0.760 1.00 -0.34 O HETATM 1289 H97 TRP A 110 7.143 55.718 1.529 1.00 0.25 H HETATM 1290 H95 TRP A 110 6.625 54.149 3.035 1.00 0.05 H HETATM 1291 H93 TRP A 110 5.301 52.108 3.477 1.00 0.05 H HETATM 1292 H91 TRP A 110 3.245 50.421 0.816 1.00 0.05 H HETATM 1293 H92 TRP A 110 4.287 50.049 2.231 1.00 0.05 H HETATM 1294 H90 TRP A 110 1.873 51.888 2.448 1.00 0.08 H HETATM 1295 H89 TRP A 110 3.547 50.414 4.427 1.00 0.19 H HETATM 1296 CB TRP A 110 2.008 50.855 7.258 1.00 -0.01 C HETATM 1297 CG TRP A 110 0.932 51.740 7.787 1.00 -0.03 C HETATM 1298 CD TRP A 110 1.698 52.982 8.197 1.00 0.04 C HETATM 1299 H87 TRP A 110 1.049 53.870 8.193 1.00 0.05 H HETATM 1300 H88 TRP A 110 2.148 52.862 9.194 1.00 0.05 H HETATM 1301 H85 TRP A 110 0.429 51.281 8.650 1.00 0.03 H HETATM 1302 H86 TRP A 110 0.189 51.970 7.009 1.00 0.03 H HETATM 1303 H83 TRP A 110 2.618 50.437 8.073 1.00 0.03 H HETATM 1304 H84 TRP A 110 1.590 50.035 6.655 1.00 0.03 H HETATM 1305 H82 TRP A 110 3.868 51.490 6.351 1.00 0.08 H HETATM 1306 CB TRP A 110 2.839 56.473 6.910 1.00 -0.01 C HETATM 1307 CG TRP A 110 2.621 57.819 7.609 1.00 -0.04 C HETATM 1308 CD1 TRP A 110 2.079 58.833 6.610 1.00 -0.06 C HETATM 1309 H76 TRP A 110 1.924 59.798 7.115 1.00 0.02 H HETATM 1310 H77 TRP A 110 1.122 58.473 6.205 1.00 0.02 H HETATM 1311 H78 TRP A 110 2.800 58.961 5.789 1.00 0.02 H HETATM 1312 CD2 TRP A 110 1.652 57.646 8.772 1.00 -0.06 C HETATM 1313 H79 TRP A 110 2.059 56.911 9.482 1.00 0.02 H HETATM 1314 H80 TRP A 110 0.683 57.291 8.392 1.00 0.02 H HETATM 1315 H81 TRP A 110 1.514 58.611 9.281 1.00 0.02 H HETATM 1316 H75 TRP A 110 3.584 58.181 7.999 1.00 0.03 H HETATM 1317 H73 TRP A 110 1.867 56.137 6.520 1.00 0.03 H HETATM 1318 H74 TRP A 110 3.533 56.639 6.073 1.00 0.03 H HETATM 1319 H72 TRP A 110 2.723 55.142 8.608 1.00 0.08 H HETATM 1320 H71 TRP A 110 5.322 56.283 7.739 1.00 0.19 H HETATM 1321 CB TRP A 110 6.449 56.757 11.072 1.00 -0.01 C HETATM 1322 CG TRP A 110 7.765 56.972 11.823 1.00 -0.04 C HETATM 1323 CD1 TRP A 110 7.597 58.068 12.868 1.00 -0.06 C HETATM 1324 H65 TRP A 110 8.548 58.215 13.402 1.00 0.02 H HETATM 1325 H66 TRP A 110 6.816 57.775 13.585 1.00 0.02 H HETATM 1326 H67 TRP A 110 7.306 59.006 12.372 1.00 0.02 H HETATM 1327 CD2 TRP A 110 8.193 55.662 12.476 1.00 -0.06 C HETATM 1328 H68 TRP A 110 8.308 54.888 11.703 1.00 0.02 H HETATM 1329 H69 TRP A 110 7.428 55.346 13.201 1.00 0.02 H HETATM 1330 H70 TRP A 110 9.152 55.807 12.995 1.00 0.02 H HETATM 1331 H64 TRP A 110 8.540 57.282 11.107 1.00 0.03 H HETATM 1332 H62 TRP A 110 5.703 56.383 11.789 1.00 0.03 H HETATM 1333 H63 TRP A 110 6.120 57.728 10.673 1.00 0.03 H HETATM 1334 H61 TRP A 110 7.112 54.888 10.225 1.00 0.08 H HETATM 1335 H60 TRP A 110 7.212 57.379 8.695 1.00 0.19 H HETATM 1336 CB TRP A 110 7.237 56.665 5.578 1.00 0.08 C HETATM 1337 OG TRP A 110 6.075 57.220 6.169 1.00 -0.39 O HETATM 1338 H59 TRP A 110 6.293 58.053 6.571 1.00 0.21 H HETATM 1339 H57 TRP A 110 6.981 55.703 5.111 1.00 0.06 H HETATM 1340 H58 TRP A 110 7.617 57.355 4.811 1.00 0.06 H HETATM 1341 H56 TRP A 110 8.632 57.417 7.028 1.00 0.08 H HETATM 1342 H55 TRP A 110 9.646 54.846 6.065 1.00 0.19 H HETATM 1343 CB TRP A 110 11.471 56.025 3.216 1.00 0.08 C HETATM 1344 OG TRP A 110 10.459 55.158 2.730 1.00 -0.39 O HETATM 1345 H54 TRP A 110 9.624 55.402 3.113 1.00 0.21 H HETATM 1346 H52 TRP A 110 12.432 55.740 2.764 1.00 0.06 H HETATM 1347 H53 TRP A 110 11.223 57.058 2.930 1.00 0.06 H HETATM 1348 H51 TRP A 110 12.475 56.540 5.041 1.00 0.08 H HETATM 1349 H50 TRP A 110 11.634 53.822 4.529 1.00 0.19 H HETATM 1350 CB TRP A 110 14.175 52.531 6.565 1.00 -0.00 C HETATM 1351 CG TRP A 110 14.814 52.795 5.212 1.00 0.00 C HETATM 1352 CD TRP A 110 16.284 52.408 5.187 1.00 0.04 C HETATM 1353 OE1 TRP A 110 16.630 51.402 4.527 1.00 -0.57 O HETATM 1354 OE2 TRP A 110 17.093 53.100 5.841 1.00 -0.57 O HETATM 1355 H48 TRP A 110 14.726 53.867 4.981 1.00 0.04 H HETATM 1356 H49 TRP A 110 14.281 52.210 4.448 1.00 0.04 H HETATM 1357 H46 TRP A 110 14.327 51.470 6.811 1.00 0.03 H HETATM 1358 H47 TRP A 110 14.686 53.157 7.311 1.00 0.03 H HETATM 1359 H45 TRP A 110 12.345 52.651 7.684 1.00 0.08 H HETATM 1360 H44 TRP A 110 12.423 51.271 5.205 1.00 0.19 H HETATM 1361 CB TRP A 110 9.763 51.413 3.486 1.00 0.02 C HETATM 1362 CG TRP A 110 9.195 50.388 2.528 1.00 -0.05 C HETATM 1363 CD1 TRP A 110 7.818 50.198 2.412 1.00 -0.07 C HETATM 1364 CE1 TRP A 110 7.293 49.217 1.563 1.00 -0.04 C HETATM 1365 CZ TRP A 110 8.154 48.417 0.823 1.00 0.08 C HETATM 1366 CE2 TRP A 110 9.529 48.591 0.921 1.00 -0.04 C HETATM 1367 CD2 TRP A 110 10.041 49.572 1.769 1.00 -0.07 C HETATM 1368 H40 TRP A 110 11.114 49.705 1.842 1.00 0.05 H HETATM 1369 H42 TRP A 110 10.200 47.967 0.341 1.00 0.05 H HETATM 1370 OH TRP A 110 7.645 47.435 -0.005 1.00 -0.34 O HETATM 1371 H43 TRP A 110 7.967 46.587 0.276 1.00 0.25 H HETATM 1372 H41 TRP A 110 6.220 49.082 1.483 1.00 0.05 H HETATM 1373 H39 TRP A 110 7.144 50.820 2.989 1.00 0.05 H HETATM 1374 H37 TRP A 110 10.758 51.715 3.126 1.00 0.05 H HETATM 1375 H38 TRP A 110 9.097 52.288 3.498 1.00 0.05 H HETATM 1376 H36 TRP A 110 10.475 49.949 4.901 1.00 0.08 H HETATM 1377 H35 TRP A 110 8.013 51.449 5.719 1.00 0.19 H HETATM 1378 CB TRP A 110 7.042 49.524 8.051 1.00 0.02 C HETATM 1379 CG TRP A 110 5.809 49.830 8.864 1.00 -0.05 C HETATM 1380 CD1 TRP A 110 5.018 48.804 9.395 1.00 -0.07 C HETATM 1381 CE1 TRP A 110 3.881 49.095 10.167 1.00 -0.04 C HETATM 1382 CZ TRP A 110 3.545 50.426 10.400 1.00 0.08 C HETATM 1383 CE2 TRP A 110 4.318 51.450 9.875 1.00 -0.04 C HETATM 1384 CD2 TRP A 110 5.440 51.149 9.116 1.00 -0.07 C HETATM 1385 H31 TRP A 110 6.041 51.956 8.712 1.00 0.05 H HETATM 1386 H33 TRP A 110 4.047 52.484 10.057 1.00 0.05 H HETATM 1387 OH TRP A 110 2.445 50.747 11.161 1.00 -0.34 O HETATM 1388 H34 TRP A 110 2.017 49.949 11.450 1.00 0.25 H HETATM 1389 H32 TRP A 110 3.274 48.295 10.575 1.00 0.05 H HETATM 1390 H30 TRP A 110 5.287 47.771 9.208 1.00 0.05 H HETATM 1391 H28 TRP A 110 7.771 50.330 8.220 1.00 0.05 H HETATM 1392 H29 TRP A 110 7.459 48.571 8.408 1.00 0.05 H HETATM 1393 H27 TRP A 110 6.200 50.259 6.206 1.00 0.08 H HETATM 1394 H26 TRP A 110 6.347 47.324 6.668 1.00 0.19 H HETATM 1395 CB TRP A 110 4.964 46.253 3.738 1.00 -0.01 C HETATM 1396 CG TRP A 110 6.475 46.317 3.575 1.00 -0.02 C HETATM 1397 CD TRP A 110 6.953 45.506 2.373 1.00 0.06 C HETATM 1398 NE TRP A 110 6.770 44.072 2.584 1.00 -0.27 N HETATM 1399 CZ TRP A 110 7.323 43.124 1.833 1.00 0.29 C HETATM 1400 NH1 TRP A 110 8.104 43.449 0.808 1.00 -0.28 N HETATM 1401 H22 TRP A 110 8.529 42.710 0.230 1.00 0.26 H HETATM 1402 H23 TRP A 110 8.284 44.440 0.592 1.00 0.26 H HETATM 1403 NH2 TRP A 110 7.102 41.847 2.116 1.00 -0.28 N HETATM 1404 H24 TRP A 110 6.497 41.593 2.910 1.00 0.26 H HETATM 1405 H25 TRP A 110 7.535 41.110 1.542 1.00 0.26 H HETATM 1406 H21 TRP A 110 6.172 43.775 3.368 1.00 0.26 H HETATM 1407 H19 TRP A 110 8.021 45.709 2.208 1.00 0.07 H HETATM 1408 H20 TRP A 110 6.380 45.812 1.485 1.00 0.07 H HETATM 1409 H17 TRP A 110 6.948 45.917 4.484 1.00 0.03 H HETATM 1410 H18 TRP A 110 6.774 47.367 3.437 1.00 0.03 H HETATM 1411 H15 TRP A 110 4.505 46.808 2.907 1.00 0.03 H HETATM 1412 H16 TRP A 110 4.657 45.198 3.688 1.00 0.03 H HETATM 1413 H14 TRP A 110 4.676 46.148 5.875 1.00 0.08 H HETATM 1414 H13 TRP A 110 2.641 47.830 4.505 1.00 0.19 H HETATM 1415 CB TRP A 110 0.317 47.696 6.166 1.00 0.02 C HETATM 1416 CG TRP A 110 0.195 47.405 7.637 1.00 -0.04 C HETATM 1417 CD1 TRP A 110 1.194 47.023 8.489 1.00 0.02 C HETATM 1418 NE1 TRP A 110 0.684 46.816 9.754 1.00 -0.29 N HETATM 1419 CE2 TRP A 110 -0.664 47.065 9.735 1.00 0.06 C HETATM 1420 CD2 TRP A 110 -1.007 47.441 8.417 1.00 -0.02 C HETATM 1421 CE3 TRP A 110 -2.343 47.755 8.129 1.00 -0.07 C HETATM 1422 CZ3 TRP A 110 -3.284 47.684 9.154 1.00 -0.08 C HETATM 1423 CH2 TRP A 110 -2.909 47.304 10.455 1.00 -0.08 C HETATM 1424 CZ2 TRP A 110 -1.608 46.992 10.764 1.00 -0.04 C HETATM 1425 H10 TRP A 110 -1.323 46.700 11.768 1.00 0.05 H HETATM 1426 H12 TRP A 110 -3.664 47.256 11.231 1.00 0.05 H HETATM 1427 H11 TRP A 110 -4.320 47.925 8.946 1.00 0.05 H HETATM 1428 H9 TRP A 110 -2.638 48.047 7.128 1.00 0.05 H HETATM 1429 H8 TRP A 110 1.227 46.522 10.578 1.00 0.22 H HETATM 1430 H7 TRP A 110 2.239 46.900 8.210 1.00 0.08 H HETATM 1431 H5 TRP A 110 -0.647 48.085 5.807 1.00 0.04 H HETATM 1432 H6 TRP A 110 1.096 48.460 6.026 1.00 0.04 H HETATM 1433 H4 TRP A 110 0.501 46.696 4.268 1.00 0.11 H HETATM 1434 H1 TRP A 110 -1.134 45.549 5.588 1.00 0.20 H HETATM 1435 H2 TRP A 110 0.004 45.079 6.681 1.00 0.20 H HETATM 1436 H3 TRP A 110 0.066 44.518 5.135 1.00 0.20 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 43 42 47 311 CONECT 217 216 221 648 CONECT 311 43 310 315 CONECT 430 429 434 489 CONECT 489 430 488 493 CONECT 648 217 647 652 CONECT 879 878 883 949 CONECT 949 879 948 953 CONECT 1208 1209 1434 1435 1436 CONECT 1209 1208 1210 1415 1433 CONECT 1210 1209 1211 1212 CONECT 1211 1210 CONECT 1212 1210 1213 1414 CONECT 1213 1212 1214 1395 1413 CONECT 1214 1213 1215 1216 CONECT 1215 1214 CONECT 1216 1214 1217 1394 CONECT 1217 1216 1218 1378 1393 CONECT 1218 1217 1219 1220 CONECT 1219 1218 CONECT 1220 1218 1221 1377 CONECT 1221 1220 1222 1361 1376 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 1225 1360 CONECT 1225 1224 1226 1350 1359 CONECT 1226 1225 1227 1228 CONECT 1227 1226 CONECT 1228 1226 1229 1349 CONECT 1229 1228 1230 1343 1348 CONECT 1230 1229 1231 1232 CONECT 1231 1230 CONECT 1232 1230 1233 1342 CONECT 1233 1232 1234 1336 1341 CONECT 1234 1233 1235 1236 CONECT 1235 1234 CONECT 1236 1234 1237 1335 CONECT 1237 1236 1238 1321 1334 CONECT 1238 1237 1239 1240 CONECT 1239 1238 CONECT 1240 1238 1241 1320 CONECT 1241 1240 1242 1306 1319 CONECT 1242 1241 1243 1244 CONECT 1243 1242 CONECT 1244 1242 1245 1298 CONECT 1245 1244 1246 1296 1305 CONECT 1246 1245 1247 1248 CONECT 1247 1246 CONECT 1248 1246 1249 1295 CONECT 1249 1248 1250 1279 1294 CONECT 1250 1249 1251 1252 CONECT 1251 1250 CONECT 1252 1250 1253 1271 CONECT 1253 1252 1254 1269 1278 CONECT 1254 1253 1255 1256 CONECT 1255 1254 CONECT 1256 1254 1257 1268 CONECT 1257 1256 1258 1261 1267 CONECT 1258 1257 1259 1260 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1257 1262 1265 1266 CONECT 1262 1261 1263 1264 CONECT 1263 1262 CONECT 1264 1262 CONECT 1265 1261 CONECT 1266 1261 CONECT 1267 1257 CONECT 1268 1256 CONECT 1269 1253 1270 1276 1277 CONECT 1270 1269 1271 1274 1275 CONECT 1271 1252 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 CONECT 1274 1270 CONECT 1275 1270 CONECT 1276 1269 CONECT 1277 1269 CONECT 1278 1253 CONECT 1279 1249 1280 1292 1293 CONECT 1280 1279 1281 1285 CONECT 1281 1280 1282 1291 CONECT 1282 1281 1283 1290 CONECT 1283 1282 1284 1288 CONECT 1284 1283 1285 1287 CONECT 1285 1280 1284 1286 CONECT 1286 1285 CONECT 1287 1284 CONECT 1288 1283 1289 CONECT 1289 1288 CONECT 1290 1282 CONECT 1291 1281 CONECT 1292 1279 CONECT 1293 1279 CONECT 1294 1249 CONECT 1295 1248 CONECT 1296 1245 1297 1303 1304 CONECT 1297 1296 1298 1301 1302 CONECT 1298 1244 1297 1299 1300 CONECT 1299 1298 CONECT 1300 1298 CONECT 1301 1297 CONECT 1302 1297 CONECT 1303 1296 CONECT 1304 1296 CONECT 1305 1245 CONECT 1306 1241 1307 1317 1318 CONECT 1307 1306 1308 1312 1316 CONECT 1308 1307 1309 1310 1311 CONECT 1309 1308 CONECT 1310 1308 CONECT 1311 1308 CONECT 1312 1307 1313 1314 1315 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1312 CONECT 1316 1307 CONECT 1317 1306 CONECT 1318 1306 CONECT 1319 1241 CONECT 1320 1240 CONECT 1321 1237 1322 1332 1333 CONECT 1322 1321 1323 1327 1331 CONECT 1323 1322 1324 1325 1326 CONECT 1324 1323 CONECT 1325 1323 CONECT 1326 1323 CONECT 1327 1322 1328 1329 1330 CONECT 1328 1327 CONECT 1329 1327 CONECT 1330 1327 CONECT 1331 1322 CONECT 1332 1321 CONECT 1333 1321 CONECT 1334 1237 CONECT 1335 1236 CONECT 1336 1233 1337 1339 1340 CONECT 1337 1336 1338 CONECT 1338 1337 CONECT 1339 1336 CONECT 1340 1336 CONECT 1341 1233 CONECT 1342 1232 CONECT 1343 1229 1344 1346 1347 CONECT 1344 1343 1345 CONECT 1345 1344 CONECT 1346 1343 CONECT 1347 1343 CONECT 1348 1229 CONECT 1349 1228 CONECT 1350 1225 1351 1357 1358 CONECT 1351 1350 1352 1355 1356 CONECT 1352 1351 1353 1354 CONECT 1353 1352 CONECT 1354 1352 CONECT 1355 1351 CONECT 1356 1351 CONECT 1357 1350 CONECT 1358 1350 CONECT 1359 1225 CONECT 1360 1224 CONECT 1361 1221 1362 1374 1375 CONECT 1362 1361 1363 1367 CONECT 1363 1362 1364 1373 CONECT 1364 1363 1365 1372 CONECT 1365 1364 1366 1370 CONECT 1366 1365 1367 1369 CONECT 1367 1362 1366 1368 CONECT 1368 1367 CONECT 1369 1366 CONECT 1370 1365 1371 CONECT 1371 1370 CONECT 1372 1364 CONECT 1373 1363 CONECT 1374 1361 CONECT 1375 1361 CONECT 1376 1221 CONECT 1377 1220 CONECT 1378 1217 1379 1391 1392 CONECT 1379 1378 1380 1384 CONECT 1380 1379 1381 1390 CONECT 1381 1380 1382 1389 CONECT 1382 1381 1383 1387 CONECT 1383 1382 1384 1386 CONECT 1384 1379 1383 1385 CONECT 1385 1384 CONECT 1386 1383 CONECT 1387 1382 1388 CONECT 1388 1387 CONECT 1389 1381 CONECT 1390 1380 CONECT 1391 1378 CONECT 1392 1378 CONECT 1393 1217 CONECT 1394 1216 CONECT 1395 1213 1396 1411 1412 CONECT 1396 1395 1397 1409 1410 CONECT 1397 1396 1398 1407 1408 CONECT 1398 1397 1399 1406 CONECT 1399 1398 1400 1403 CONECT 1400 1399 1401 1402 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1399 1404 1405 CONECT 1404 1403 CONECT 1405 1403 CONECT 1406 1398 CONECT 1407 1397 CONECT 1408 1397 CONECT 1409 1396 CONECT 1410 1396 CONECT 1411 1395 CONECT 1412 1395 CONECT 1413 1213 CONECT 1414 1212 CONECT 1415 1209 1416 1431 1432 CONECT 1416 1415 1417 1420 CONECT 1417 1416 1418 1430 CONECT 1418 1417 1419 1429 CONECT 1419 1418 1420 1424 CONECT 1420 1416 1419 1421 CONECT 1421 1420 1422 1428 CONECT 1422 1421 1423 1427 CONECT 1423 1422 1424 1426 CONECT 1424 1419 1423 1425 CONECT 1425 1424 CONECT 1426 1423 CONECT 1427 1422 CONECT 1428 1421 CONECT 1429 1418 CONECT 1430 1417 CONECT 1431 1415 CONECT 1432 1415 CONECT 1433 1209 CONECT 1434 1208 CONECT 1435 1208 CONECT 1436 1208 MASTER 0 0 0 0 0 0 0 0 1435 1 241 6 END
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Related entries of code: 1hc9
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1g6g
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13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
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13-mer
1j4p
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13-mer
1j4q
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1juq
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PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
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PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
1hc9
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
alpha-bungarotoxin
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=1.9nM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
Neuronv32;pp.265
Ligand Properties
Formula
C
8
1
H
1
1
1
N
1
7
O
2
3
Molecular Weight
1690.850
Exact Mass
1689.800
No. of atoms
232
No. of bonds
238
Polar Surface Area
654.11
LOGP Value
3.83 (
Computed with XLOGP3
)
-0.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 60
No. of Nitrogen and Oxygen Atoms: 40
No. of Rings: 7
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(=O)O)Cc1ccc(cc1)O)CC(C)C)CC(C)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)[NH3+])CCC[NH+]=C(N)N)Cc1ccc(cc1)O)Cc1ccc(cc1)O)CCC(=O)O
InChI String
InChI=1S/C81H109N17O23/c1-42(2)32-56(71(111)92-59(33-43(3)4)78(118)97-30-8-13-64(97)76(116)93-60(36-46-19-25-50(103)26-20-46)79(119)98-31-9-14-65(98)77(117)94-61(80(120)121)38-67(106)107)89-74(114)62(40-99)96-75(115)63(41-100)95-70(110)55(27-28-66(104)105)88-72(112)57(34-44-15-21-48(101)22-16-44)91-73(113)58(35-45-17-23-49(102)24-18-45)90-69(109)54(12-7-29-85-81(83)84)87-68(108)52(82)37-47-39-86-53-11-6-5-10-51(47)53/h5-6,10-11,15-26,39,42-43,52,54-65,86,99-103H,7-9,12-14,27-38,40-41,82H2,1-4H3,(H,87,108)(H,88,112)(H,89,114)(H,90,109)(H,91,113)(H,92,111)(H,93,116)(H,94,117)(H,95,110)(H,96,115)(H,104,105)(H,106,107)(H,120,121)(H4,83,84,85)/p+2/t52-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/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):
P60615
P60616
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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