Browse entries in the PDBbind-CN Database
HEADER 1PDQ_COMPLEX COMPND 1PDQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 51 ASP LEU VAL TYR ALA ALA GLU LYS ILE ILE GLN LYS ARG SEQRES 2 A 51 VAL LYS LYS GLY VAL VAL GLU TYR ARG VAL LYS TRP LYS SEQRES 3 A 51 GLY TRP ASN GLN ARG TYR ASN THR TRP GLU PRO GLU VAL SEQRES 4 A 51 ASN ILE LEU ASP ARG ARG LEU ILE ASP ILE TYR GLU HET LEU A 245 155 ATOM 1 N ASP A 23 1.509 39.550 34.947 1.00 44.82 N ATOM 2 CA ASP A 23 2.106 40.911 34.866 1.00 44.72 C ATOM 3 C ASP A 23 3.331 40.937 33.960 1.00 41.88 C ATOM 4 O ASP A 23 3.360 41.671 32.972 1.00 43.61 O ATOM 5 CB ASP A 23 2.485 41.404 36.265 1.00 47.83 C ATOM 6 CG ASP A 23 3.338 40.407 37.023 1.00 51.24 C ATOM 7 OD1 ASP A 23 2.846 39.291 37.290 1.00 53.64 O ATOM 8 OD2 ASP A 23 4.499 40.735 37.352 1.00 54.02 O ATOM 9 HA ASP A 23 1.356 41.574 34.435 1.00 0.00 H ATOM 10 HB2 ASP A 23 3.041 42.337 36.168 1.00 0.00 H ATOM 11 HB3 ASP A 23 1.571 41.584 36.831 1.00 0.00 H ATOM 12 HN3 ASP A 23 2.213 38.886 35.329 1.00 0.00 H ATOM 13 HN2 ASP A 23 1.220 39.242 33.996 1.00 0.00 H ATOM 14 HN1 ASP A 23 0.678 39.574 35.572 1.00 0.00 H ATOM 15 N LEU A 24 4.342 40.140 34.290 1.00 37.31 N ATOM 16 CA LEU A 24 5.550 40.108 33.477 1.00 32.65 C ATOM 17 C LEU A 24 5.385 39.206 32.262 1.00 29.78 C ATOM 18 O LEU A 24 4.724 38.169 32.321 1.00 26.19 O ATOM 19 CB LEU A 24 6.749 39.641 34.308 1.00 33.15 C ATOM 20 CG LEU A 24 7.226 40.578 35.427 1.00 34.76 C ATOM 21 CD1 LEU A 24 8.406 39.944 36.141 1.00 35.02 C ATOM 22 CD2 LEU A 24 7.620 41.928 34.848 1.00 33.17 C ATOM 23 HA LEU A 24 5.730 41.124 33.126 1.00 0.00 H ATOM 24 HB2 LEU A 24 6.481 38.689 34.767 1.00 0.00 H ATOM 25 HB3 LEU A 24 7.585 39.491 33.625 1.00 0.00 H ATOM 26 HG LEU A 24 6.416 40.734 36.140 1.00 0.00 H ATOM 27 HD21 LEU A 24 8.427 41.792 34.128 1.00 0.00 H ATOM 28 HD22 LEU A 24 6.759 42.374 34.351 1.00 0.00 H ATOM 29 HD23 LEU A 24 7.956 42.583 35.652 1.00 0.00 H ATOM 30 HD11 LEU A 24 8.100 38.989 36.569 1.00 0.00 H ATOM 31 HD12 LEU A 24 9.215 39.782 35.429 1.00 0.00 H ATOM 32 HD13 LEU A 24 8.747 40.607 36.936 1.00 0.00 H ATOM 33 H LEU A 24 4.270 39.536 35.133 1.00 0.00 H ATOM 34 N VAL A 25 5.989 39.622 31.157 1.00 26.61 N ATOM 35 CA VAL A 25 5.929 38.867 29.919 1.00 26.65 C ATOM 36 C VAL A 25 7.105 37.899 29.849 1.00 25.92 C ATOM 37 O VAL A 25 8.225 38.234 30.242 1.00 27.35 O ATOM 38 CB VAL A 25 5.980 39.813 28.693 1.00 26.80 C ATOM 39 CG1 VAL A 25 5.865 39.016 27.402 1.00 27.24 C ATOM 40 CG2 VAL A 25 4.860 40.837 28.782 1.00 27.51 C ATOM 41 HA VAL A 25 4.989 38.316 29.901 1.00 0.00 H ATOM 42 HB VAL A 25 6.937 40.335 28.691 1.00 0.00 H ATOM 43 HG11 VAL A 25 6.691 38.308 27.339 1.00 0.00 H ATOM 44 HG12 VAL A 25 4.919 38.474 27.394 1.00 0.00 H ATOM 45 HG13 VAL A 25 5.903 39.697 26.552 1.00 0.00 H ATOM 46 HG21 VAL A 25 3.899 40.322 28.800 1.00 0.00 H ATOM 47 HG22 VAL A 25 4.977 41.423 29.694 1.00 0.00 H ATOM 48 HG23 VAL A 25 4.904 41.498 27.916 1.00 0.00 H ATOM 49 H VAL A 25 6.521 40.515 31.178 1.00 0.00 H ATOM 50 N TYR A 26 6.838 36.695 29.353 1.00 23.04 N ATOM 51 CA TYR A 26 7.860 35.664 29.210 1.00 22.79 C ATOM 52 C TYR A 26 7.710 34.988 27.858 1.00 22.22 C ATOM 53 O TYR A 26 6.645 35.036 27.247 1.00 22.05 O ATOM 54 CB TYR A 26 7.706 34.603 30.301 1.00 23.36 C ATOM 55 CG TYR A 26 8.125 35.044 31.687 1.00 25.36 C ATOM 56 CD1 TYR A 26 9.446 34.892 32.120 1.00 26.12 C ATOM 57 CD2 TYR A 26 7.200 35.598 32.572 1.00 26.50 C ATOM 58 CE1 TYR A 26 9.830 35.275 33.406 1.00 28.11 C ATOM 59 CE2 TYR A 26 7.576 35.987 33.857 1.00 27.69 C ATOM 60 CZ TYR A 26 8.884 35.821 34.265 1.00 27.53 C ATOM 61 OH TYR A 26 9.245 36.190 35.538 1.00 29.26 O ATOM 62 HA TYR A 26 8.840 36.134 29.296 1.00 0.00 H ATOM 63 HB3 TYR A 26 8.312 33.741 30.023 1.00 0.00 H ATOM 64 HB2 TYR A 26 6.657 34.310 30.342 1.00 0.00 H ATOM 65 HD2 TYR A 26 6.166 35.729 32.254 1.00 0.00 H ATOM 66 HE2 TYR A 26 6.841 36.420 34.536 1.00 0.00 H ATOM 67 HE1 TYR A 26 10.862 35.147 33.733 1.00 0.00 H ATOM 68 HD1 TYR A 26 10.187 34.468 31.443 1.00 0.00 H ATOM 69 HH TYR A 26 10.209 36.008 35.672 1.00 0.00 H ATOM 70 H TYR A 26 5.865 36.480 29.056 1.00 0.00 H ATOM 71 N ALA A 27 8.780 34.360 27.393 1.00 20.33 N ATOM 72 CA ALA A 27 8.735 33.644 26.131 1.00 19.85 C ATOM 73 C ALA A 27 8.016 32.338 26.433 1.00 18.12 C ATOM 74 O ALA A 27 8.439 31.579 27.303 1.00 17.32 O ATOM 75 CB ALA A 27 10.148 33.362 25.637 1.00 19.20 C ATOM 76 HA ALA A 27 8.228 34.218 25.355 1.00 0.00 H ATOM 77 HB1 ALA A 27 10.677 34.305 25.495 1.00 0.00 H ATOM 78 HB2 ALA A 27 10.675 32.756 26.374 1.00 0.00 H ATOM 79 HB3 ALA A 27 10.100 32.825 24.690 1.00 0.00 H ATOM 80 H ALA A 27 9.664 34.380 27.940 1.00 0.00 H ATOM 81 N ALA A 28 6.917 32.085 25.733 1.00 16.87 N ATOM 82 CA ALA A 28 6.163 30.857 25.944 1.00 16.98 C ATOM 83 C ALA A 28 6.502 29.881 24.829 1.00 16.34 C ATOM 84 O ALA A 28 6.487 30.240 23.653 1.00 18.15 O ATOM 85 CB ALA A 28 4.675 31.149 25.942 1.00 16.13 C ATOM 86 HA ALA A 28 6.427 30.425 26.909 1.00 0.00 H ATOM 87 HB1 ALA A 28 4.443 31.853 26.742 1.00 0.00 H ATOM 88 HB2 ALA A 28 4.392 31.582 24.982 1.00 0.00 H ATOM 89 HB3 ALA A 28 4.124 30.222 26.101 1.00 0.00 H ATOM 90 H ALA A 28 6.590 32.773 25.025 1.00 0.00 H ATOM 91 N GLU A 29 6.804 28.644 25.198 1.00 16.62 N ATOM 92 CA GLU A 29 7.144 27.639 24.207 1.00 17.89 C ATOM 93 C GLU A 29 5.894 27.134 23.506 1.00 18.59 C ATOM 94 O GLU A 29 5.820 27.105 22.273 1.00 18.16 O ATOM 95 CB GLU A 29 7.854 26.471 24.880 1.00 21.32 C ATOM 96 CG GLU A 29 8.575 25.545 23.930 1.00 23.14 C ATOM 97 CD GLU A 29 9.186 24.380 24.658 1.00 26.09 C ATOM 98 OE1 GLU A 29 9.766 24.599 25.748 1.00 26.22 O ATOM 99 OE2 GLU A 29 9.087 23.244 24.147 1.00 29.63 O ATOM 100 HA GLU A 29 7.803 28.093 23.467 1.00 0.00 H ATOM 101 HB2 GLU A 29 8.584 26.875 25.582 1.00 0.00 H ATOM 102 HB3 GLU A 29 7.111 25.889 25.425 1.00 0.00 H ATOM 103 HG2 GLU A 29 7.865 25.170 23.193 1.00 0.00 H ATOM 104 HG3 GLU A 29 9.364 26.100 23.423 1.00 0.00 H ATOM 105 H GLU A 29 6.797 28.391 26.207 1.00 0.00 H ATOM 106 N LYS A 30 4.906 26.734 24.298 1.00 16.06 N ATOM 107 CA LYS A 30 3.671 26.224 23.739 1.00 15.09 C ATOM 108 C LYS A 30 2.608 26.007 24.802 1.00 14.98 C ATOM 109 O LYS A 30 2.886 26.000 26.000 1.00 15.45 O ATOM 110 CB LYS A 30 3.927 24.889 23.049 1.00 17.17 C ATOM 111 CG LYS A 30 4.355 23.798 24.016 1.00 19.85 C ATOM 112 CD LYS A 30 4.710 22.508 23.309 1.00 25.46 C ATOM 113 CE LYS A 30 5.223 21.486 24.305 1.00 27.46 C ATOM 114 NZ LYS A 30 5.750 20.261 23.644 1.00 32.65 N ATOM 115 HA LYS A 30 3.312 26.970 23.030 1.00 0.00 H ATOM 116 HB2 LYS A 30 3.011 24.573 22.551 1.00 0.00 H ATOM 117 HB3 LYS A 30 4.714 25.025 22.307 1.00 0.00 H ATOM 118 HG2 LYS A 30 5.226 24.144 24.572 1.00 0.00 H ATOM 119 HG3 LYS A 30 3.537 23.604 24.710 1.00 0.00 H ATOM 120 HD2 LYS A 30 3.823 22.114 22.813 1.00 0.00 H ATOM 121 HD3 LYS A 30 5.483 22.706 22.566 1.00 0.00 H ATOM 122 HE2 LYS A 30 4.405 21.202 24.967 1.00 0.00 H ATOM 123 HE3 LYS A 30 6.023 21.939 24.891 1.00 0.00 H ATOM 124 HZ1 LYS A 30 4.992 19.815 23.088 1.00 0.00 H ATOM 125 HZ2 LYS A 30 6.537 20.519 23.015 1.00 0.00 H ATOM 126 HZ3 LYS A 30 6.088 19.596 24.368 1.00 0.00 H ATOM 127 H LYS A 30 5.020 26.787 25.330 1.00 0.00 H ATOM 128 N ILE A 31 1.381 25.818 24.334 1.00 14.23 N ATOM 129 CA ILE A 31 0.242 25.547 25.201 1.00 13.44 C ATOM 130 C ILE A 31 0.007 24.044 25.074 1.00 14.52 C ATOM 131 O ILE A 31 0.007 23.511 23.962 1.00 14.31 O ATOM 132 CB ILE A 31 -1.005 26.315 24.714 1.00 13.62 C ATOM 133 CG1 ILE A 31 -0.829 27.813 25.013 1.00 16.26 C ATOM 134 CG2 ILE A 31 -2.260 25.743 25.357 1.00 15.22 C ATOM 135 CD1 ILE A 31 -1.987 28.720 24.509 1.00 14.69 C ATOM 136 HA ILE A 31 0.428 25.858 26.229 1.00 0.00 H ATOM 137 HB ILE A 31 -1.118 26.199 23.636 1.00 0.00 H ATOM 138 HG12 ILE A 31 -0.747 27.936 26.093 1.00 0.00 H ATOM 139 HG13 ILE A 31 0.094 28.147 24.540 1.00 0.00 H ATOM 140 HD11 ILE A 31 -2.078 28.624 23.427 1.00 0.00 H ATOM 141 HD12 ILE A 31 -2.920 28.412 24.982 1.00 0.00 H ATOM 142 HD13 ILE A 31 -1.773 29.757 24.766 1.00 0.00 H ATOM 143 HG21 ILE A 31 -2.359 24.692 25.085 1.00 0.00 H ATOM 144 HG22 ILE A 31 -2.185 25.834 26.441 1.00 0.00 H ATOM 145 HG23 ILE A 31 -3.131 26.295 25.004 1.00 0.00 H ATOM 146 H ILE A 31 1.226 25.865 23.307 1.00 0.00 H ATOM 147 N ILE A 32 -0.191 23.359 26.197 1.00 13.74 N ATOM 148 CA ILE A 32 -0.396 21.917 26.162 1.00 14.77 C ATOM 149 C ILE A 32 -1.789 21.490 26.603 1.00 16.12 C ATOM 150 O ILE A 32 -2.180 20.343 26.390 1.00 15.63 O ATOM 151 CB ILE A 32 0.655 21.179 27.031 1.00 16.17 C ATOM 152 CG1 ILE A 32 0.599 21.688 28.477 1.00 11.65 C ATOM 153 CG2 ILE A 32 2.054 21.418 26.469 1.00 15.43 C ATOM 154 CD1 ILE A 32 1.320 20.778 29.469 1.00 13.53 C ATOM 155 HA ILE A 32 -0.280 21.638 25.115 1.00 0.00 H ATOM 156 HB ILE A 32 0.431 20.112 27.015 1.00 0.00 H ATOM 157 HG12 ILE A 32 1.061 22.675 28.514 1.00 0.00 H ATOM 158 HG13 ILE A 32 -0.446 21.766 28.776 1.00 0.00 H ATOM 159 HD11 ILE A 32 0.862 19.789 29.452 1.00 0.00 H ATOM 160 HD12 ILE A 32 2.371 20.699 29.190 1.00 0.00 H ATOM 161 HD13 ILE A 32 1.240 21.199 30.471 1.00 0.00 H ATOM 162 HG21 ILE A 32 2.103 21.041 25.447 1.00 0.00 H ATOM 163 HG22 ILE A 32 2.269 22.487 26.474 1.00 0.00 H ATOM 164 HG23 ILE A 32 2.786 20.896 27.085 1.00 0.00 H ATOM 165 H ILE A 32 -0.200 23.858 27.109 1.00 0.00 H ATOM 166 N GLN A 33 -2.540 22.412 27.196 1.00 16.79 N ATOM 167 CA GLN A 33 -3.896 22.111 27.640 1.00 16.58 C ATOM 168 C GLN A 33 -4.780 23.341 27.660 1.00 18.59 C ATOM 169 O GLN A 33 -4.297 24.470 27.745 1.00 16.78 O ATOM 170 CB GLN A 33 -3.905 21.548 29.055 1.00 17.77 C ATOM 171 CG GLN A 33 -3.059 20.313 29.296 1.00 16.43 C ATOM 172 CD GLN A 33 -2.984 20.002 30.767 1.00 18.19 C ATOM 173 OE1 GLN A 33 -3.936 19.494 31.370 1.00 21.98 O ATOM 174 NE2 GLN A 33 -1.857 20.326 31.365 1.00 13.25 N ATOM 175 HA GLN A 33 -4.278 21.383 26.924 1.00 0.00 H ATOM 176 HB2 GLN A 33 -3.549 22.330 29.725 1.00 0.00 H ATOM 177 HB3 GLN A 33 -4.936 21.298 29.306 1.00 0.00 H ATOM 178 HG2 GLN A 33 -3.503 19.466 28.773 1.00 0.00 H ATOM 179 HG3 GLN A 33 -2.053 20.487 28.914 1.00 0.00 H ATOM 180 HE22 GLN A 33 -1.082 20.752 30.818 1.00 0.00 H ATOM 181 HE21 GLN A 33 -1.742 20.156 32.385 1.00 0.00 H ATOM 182 H GLN A 33 -2.154 23.366 27.346 1.00 0.00 H ATOM 183 N LYS A 34 -6.087 23.101 27.623 1.00 19.00 N ATOM 184 CA LYS A 34 -7.077 24.167 27.685 1.00 20.78 C ATOM 185 C LYS A 34 -8.114 23.757 28.722 1.00 21.62 C ATOM 186 O LYS A 34 -8.528 22.602 28.769 1.00 22.09 O ATOM 187 CB LYS A 34 -7.747 24.363 26.325 1.00 21.91 C ATOM 188 CG LYS A 34 -8.832 25.428 26.324 1.00 24.11 C ATOM 189 CD LYS A 34 -9.425 25.601 24.937 1.00 25.08 C ATOM 190 CE LYS A 34 -10.511 26.662 24.925 1.00 26.37 C ATOM 191 NZ LYS A 34 -11.029 26.863 23.548 1.00 26.86 N ATOM 192 HA LYS A 34 -6.602 25.110 27.956 1.00 0.00 H ATOM 193 HB2 LYS A 34 -6.983 24.650 25.603 1.00 0.00 H ATOM 194 HB3 LYS A 34 -8.194 23.416 26.022 1.00 0.00 H ATOM 195 HG2 LYS A 34 -9.622 25.133 27.015 1.00 0.00 H ATOM 196 HG3 LYS A 34 -8.402 26.375 26.649 1.00 0.00 H ATOM 197 HD2 LYS A 34 -8.634 25.895 24.247 1.00 0.00 H ATOM 198 HD3 LYS A 34 -9.853 24.652 24.613 1.00 0.00 H ATOM 199 HE2 LYS A 34 -10.099 27.601 25.294 1.00 0.00 H ATOM 200 HE3 LYS A 34 -11.328 26.346 25.573 1.00 0.00 H ATOM 201 HZ1 LYS A 34 -10.252 27.168 22.928 1.00 0.00 H ATOM 202 HZ2 LYS A 34 -11.426 25.969 23.194 1.00 0.00 H ATOM 203 HZ3 LYS A 34 -11.771 27.592 23.561 1.00 0.00 H ATOM 204 H LYS A 34 -6.414 22.117 27.547 1.00 0.00 H ATOM 205 N ARG A 35 -8.529 24.704 29.553 1.00 22.88 N ATOM 206 CA ARG A 35 -9.520 24.424 30.584 1.00 24.75 C ATOM 207 C ARG A 35 -10.515 25.571 30.668 1.00 25.29 C ATOM 208 O ARG A 35 -10.124 26.733 30.709 1.00 24.27 O ATOM 209 CB ARG A 35 -8.836 24.240 31.942 1.00 26.51 C ATOM 210 CG ARG A 35 -9.791 23.905 33.076 1.00 30.55 C ATOM 211 CD ARG A 35 -9.048 23.625 34.371 1.00 32.04 C ATOM 212 NE ARG A 35 -8.358 24.804 34.890 1.00 32.55 N ATOM 213 CZ ARG A 35 -7.585 24.798 35.973 1.00 33.09 C ATOM 214 NH1 ARG A 35 -7.402 23.673 36.651 1.00 35.29 N ATOM 215 NH2 ARG A 35 -6.996 25.913 36.384 1.00 32.33 N ATOM 216 HA ARG A 35 -10.045 23.505 30.323 1.00 0.00 H ATOM 217 HB2 ARG A 35 -8.111 23.431 31.854 1.00 0.00 H ATOM 218 HB3 ARG A 35 -8.317 25.165 32.193 1.00 0.00 H ATOM 219 HG2 ARG A 35 -10.466 24.747 33.230 1.00 0.00 H ATOM 220 HG3 ARG A 35 -10.369 23.023 32.802 1.00 0.00 H ATOM 221 HD2 ARG A 35 -8.312 22.842 34.189 1.00 0.00 H ATOM 222 HD3 ARG A 35 -9.764 23.283 35.118 1.00 0.00 H ATOM 223 HE ARG A 35 -8.479 25.703 34.382 1.00 0.00 H ATOM 224 HH12 ARG A 35 -6.798 23.668 37.497 1.00 0.00 H ATOM 225 HH11 ARG A 35 -7.863 22.795 36.336 1.00 0.00 H ATOM 226 HH22 ARG A 35 -6.393 25.901 37.231 1.00 0.00 H ATOM 227 HH21 ARG A 35 -7.137 26.800 35.859 1.00 0.00 H ATOM 228 H ARG A 35 -8.140 25.665 29.467 1.00 0.00 H ATOM 229 N VAL A 36 -11.802 25.243 30.675 1.00 24.52 N ATOM 230 CA VAL A 36 -12.833 26.264 30.769 1.00 24.45 C ATOM 231 C VAL A 36 -13.710 25.964 31.972 1.00 25.66 C ATOM 232 O VAL A 36 -14.332 24.908 32.045 1.00 25.19 O ATOM 233 CB VAL A 36 -13.710 26.309 29.494 1.00 25.16 C ATOM 234 CG1 VAL A 36 -14.708 27.463 29.588 1.00 25.03 C ATOM 235 CG2 VAL A 36 -12.831 26.472 28.267 1.00 24.85 C ATOM 236 HA VAL A 36 -12.348 27.234 30.876 1.00 0.00 H ATOM 237 HB VAL A 36 -14.263 25.374 29.408 1.00 0.00 H ATOM 238 HG11 VAL A 36 -15.347 27.319 30.459 1.00 0.00 H ATOM 239 HG12 VAL A 36 -14.166 28.404 29.685 1.00 0.00 H ATOM 240 HG13 VAL A 36 -15.320 27.486 28.687 1.00 0.00 H ATOM 241 HG21 VAL A 36 -12.265 27.400 28.348 1.00 0.00 H ATOM 242 HG22 VAL A 36 -12.142 25.630 28.201 1.00 0.00 H ATOM 243 HG23 VAL A 36 -13.457 26.503 27.375 1.00 0.00 H ATOM 244 H VAL A 36 -12.076 24.242 30.612 1.00 0.00 H ATOM 245 N LYS A 37 -13.731 26.887 32.925 1.00 23.60 N ATOM 246 CA LYS A 37 -14.539 26.732 34.126 1.00 26.84 C ATOM 247 C LYS A 37 -15.296 28.011 34.425 1.00 25.43 C ATOM 248 O LYS A 37 -14.705 29.083 34.535 1.00 26.54 O ATOM 249 CB LYS A 37 -13.669 26.363 35.328 1.00 29.70 C ATOM 250 CG LYS A 37 -13.299 24.891 35.399 1.00 35.01 C ATOM 251 CD LYS A 37 -12.662 24.544 36.741 1.00 40.51 C ATOM 252 CE LYS A 37 -13.587 24.882 37.909 1.00 43.46 C ATOM 253 NZ LYS A 37 -13.041 24.418 39.213 1.00 45.89 N ATOM 254 HA LYS A 37 -15.250 25.926 33.946 1.00 0.00 H ATOM 255 HB2 LYS A 37 -12.749 26.945 35.276 1.00 0.00 H ATOM 256 HB3 LYS A 37 -14.212 26.624 36.237 1.00 0.00 H ATOM 257 HG2 LYS A 37 -14.200 24.291 35.267 1.00 0.00 H ATOM 258 HG3 LYS A 37 -12.593 24.663 34.601 1.00 0.00 H ATOM 259 HD2 LYS A 37 -12.441 23.477 36.762 1.00 0.00 H ATOM 260 HD3 LYS A 37 -11.735 25.108 36.849 1.00 0.00 H ATOM 261 HE2 LYS A 37 -14.552 24.404 37.742 1.00 0.00 H ATOM 262 HE3 LYS A 37 -13.721 25.963 37.949 1.00 0.00 H ATOM 263 HZ1 LYS A 37 -12.917 23.386 39.188 1.00 0.00 H ATOM 264 HZ2 LYS A 37 -12.123 24.875 39.385 1.00 0.00 H ATOM 265 HZ3 LYS A 37 -13.703 24.670 39.974 1.00 0.00 H ATOM 266 H LYS A 37 -13.154 27.745 32.811 1.00 0.00 H ATOM 267 N LYS A 38 -16.611 27.888 34.553 1.00 24.78 N ATOM 268 CA LYS A 38 -17.466 29.034 34.833 1.00 25.80 C ATOM 269 C LYS A 38 -17.198 30.193 33.880 1.00 24.66 C ATOM 270 O LYS A 38 -17.114 31.343 34.303 1.00 25.84 O ATOM 271 CB LYS A 38 -17.280 29.487 36.285 1.00 27.86 C ATOM 272 CG LYS A 38 -17.508 28.375 37.282 1.00 28.92 C ATOM 273 CD LYS A 38 -17.596 28.882 38.697 1.00 33.10 C ATOM 274 CE LYS A 38 -17.843 27.727 39.648 1.00 33.73 C ATOM 275 NZ LYS A 38 -18.082 28.205 41.038 1.00 35.30 N ATOM 276 HA LYS A 38 -18.498 28.719 34.681 1.00 0.00 H ATOM 277 HB2 LYS A 38 -16.263 29.860 36.406 1.00 0.00 H ATOM 278 HB3 LYS A 38 -17.987 30.290 36.492 1.00 0.00 H ATOM 279 HG2 LYS A 38 -18.440 27.867 37.033 1.00 0.00 H ATOM 280 HG3 LYS A 38 -16.681 27.668 37.214 1.00 0.00 H ATOM 281 HD2 LYS A 38 -16.661 29.375 38.963 1.00 0.00 H ATOM 282 HD3 LYS A 38 -18.416 29.596 38.775 1.00 0.00 H ATOM 283 HE2 LYS A 38 -16.972 27.072 39.643 1.00 0.00 H ATOM 284 HE3 LYS A 38 -18.717 27.170 39.310 1.00 0.00 H ATOM 285 HZ1 LYS A 38 -17.249 28.733 41.370 1.00 0.00 H ATOM 286 HZ2 LYS A 38 -18.916 28.827 41.051 1.00 0.00 H ATOM 287 HZ3 LYS A 38 -18.247 27.388 41.661 1.00 0.00 H ATOM 288 H LYS A 38 -17.043 26.948 34.451 1.00 0.00 H ATOM 289 N GLY A 39 -17.068 29.873 32.595 1.00 24.17 N ATOM 290 CA GLY A 39 -16.840 30.887 31.585 1.00 24.56 C ATOM 291 C GLY A 39 -15.426 31.422 31.490 1.00 25.79 C ATOM 292 O GLY A 39 -15.113 32.171 30.567 1.00 26.12 O ATOM 293 HA3 GLY A 39 -17.501 31.727 31.800 1.00 0.00 H ATOM 294 HA2 GLY A 39 -17.101 30.459 30.617 1.00 0.00 H ATOM 295 H GLY A 39 -17.131 28.875 32.310 1.00 0.00 H ATOM 296 N VAL A 40 -14.578 31.037 32.440 1.00 25.24 N ATOM 297 CA VAL A 40 -13.185 31.481 32.480 1.00 27.35 C ATOM 298 C VAL A 40 -12.299 30.523 31.691 1.00 27.09 C ATOM 299 O VAL A 40 -12.132 29.368 32.074 1.00 26.86 O ATOM 300 CB VAL A 40 -12.676 31.552 33.937 1.00 28.21 C ATOM 301 CG1 VAL A 40 -11.223 31.989 33.961 1.00 30.43 C ATOM 302 CG2 VAL A 40 -13.537 32.527 34.738 1.00 30.19 C ATOM 303 HA VAL A 40 -13.138 32.474 32.033 1.00 0.00 H ATOM 304 HB VAL A 40 -12.748 30.563 34.390 1.00 0.00 H ATOM 305 HG11 VAL A 40 -10.620 31.271 33.405 1.00 0.00 H ATOM 306 HG12 VAL A 40 -11.133 32.973 33.502 1.00 0.00 H ATOM 307 HG13 VAL A 40 -10.876 32.035 34.993 1.00 0.00 H ATOM 308 HG21 VAL A 40 -13.478 33.517 34.286 1.00 0.00 H ATOM 309 HG22 VAL A 40 -14.572 32.185 34.733 1.00 0.00 H ATOM 310 HG23 VAL A 40 -13.173 32.573 35.764 1.00 0.00 H ATOM 311 H VAL A 40 -14.919 30.395 33.184 1.00 0.00 H ATOM 312 N VAL A 41 -11.735 31.008 30.588 1.00 27.02 N ATOM 313 CA VAL A 41 -10.871 30.190 29.743 1.00 26.99 C ATOM 314 C VAL A 41 -9.409 30.302 30.172 1.00 27.16 C ATOM 315 O VAL A 41 -8.887 31.403 30.336 1.00 25.15 O ATOM 316 CB VAL A 41 -10.992 30.608 28.264 1.00 28.37 C ATOM 317 CG1 VAL A 41 -10.071 29.761 27.404 1.00 27.69 C ATOM 318 CG2 VAL A 41 -12.434 30.469 27.806 1.00 30.19 C ATOM 319 HA VAL A 41 -11.198 29.156 29.857 1.00 0.00 H ATOM 320 HB VAL A 41 -10.693 31.651 28.160 1.00 0.00 H ATOM 321 HG11 VAL A 41 -9.041 29.899 27.732 1.00 0.00 H ATOM 322 HG12 VAL A 41 -10.347 28.711 27.503 1.00 0.00 H ATOM 323 HG13 VAL A 41 -10.166 30.066 26.362 1.00 0.00 H ATOM 324 HG21 VAL A 41 -12.750 29.432 27.915 1.00 0.00 H ATOM 325 HG22 VAL A 41 -13.071 31.110 28.416 1.00 0.00 H ATOM 326 HG23 VAL A 41 -12.512 30.766 26.760 1.00 0.00 H ATOM 327 H VAL A 41 -11.915 31.997 30.321 1.00 0.00 H ATOM 328 N GLU A 42 -8.762 29.154 30.368 1.00 24.63 N ATOM 329 CA GLU A 42 -7.359 29.119 30.777 1.00 23.05 C ATOM 330 C GLU A 42 -6.561 28.145 29.929 1.00 20.84 C ATOM 331 O GLU A 42 -7.098 27.157 29.424 1.00 20.43 O ATOM 332 CB GLU A 42 -7.224 28.712 32.243 1.00 26.87 C ATOM 333 CG GLU A 42 -8.022 29.557 33.206 1.00 31.57 C ATOM 334 CD GLU A 42 -7.848 29.089 34.631 1.00 34.52 C ATOM 335 OE1 GLU A 42 -8.084 27.889 34.895 1.00 34.98 O ATOM 336 OE2 GLU A 42 -7.490 29.919 35.490 1.00 38.43 O ATOM 337 HA GLU A 42 -6.965 30.126 30.639 1.00 0.00 H ATOM 338 HB2 GLU A 42 -7.556 27.679 32.341 1.00 0.00 H ATOM 339 HB3 GLU A 42 -6.172 28.782 32.520 1.00 0.00 H ATOM 340 HG2 GLU A 42 -7.688 30.592 33.130 1.00 0.00 H ATOM 341 HG3 GLU A 42 -9.077 29.497 32.940 1.00 0.00 H ATOM 342 H GLU A 42 -9.269 28.257 30.226 1.00 0.00 H ATOM 343 N TYR A 43 -5.268 28.424 29.781 1.00 17.63 N ATOM 344 CA TYR A 43 -4.380 27.573 28.991 1.00 16.87 C ATOM 345 C TYR A 43 -3.158 27.200 29.817 1.00 14.32 C ATOM 346 O TYR A 43 -2.616 28.030 30.534 1.00 16.19 O ATOM 347 CB TYR A 43 -3.923 28.311 27.730 1.00 16.75 C ATOM 348 CG TYR A 43 -5.030 28.539 26.718 1.00 18.07 C ATOM 349 CD1 TYR A 43 -5.507 27.493 25.935 1.00 18.51 C ATOM 350 CD2 TYR A 43 -5.584 29.804 26.534 1.00 19.74 C ATOM 351 CE1 TYR A 43 -6.502 27.692 24.988 1.00 21.78 C ATOM 352 CE2 TYR A 43 -6.588 30.020 25.588 1.00 21.40 C ATOM 353 CZ TYR A 43 -7.040 28.961 24.819 1.00 24.10 C ATOM 354 OH TYR A 43 -8.026 29.165 23.881 1.00 27.31 O ATOM 355 HA TYR A 43 -4.923 26.672 28.705 1.00 0.00 H ATOM 356 HB3 TYR A 43 -3.137 27.724 27.254 1.00 0.00 H ATOM 357 HB2 TYR A 43 -3.522 29.281 28.025 1.00 0.00 H ATOM 358 HD2 TYR A 43 -5.228 30.638 27.138 1.00 0.00 H ATOM 359 HE2 TYR A 43 -7.013 31.015 25.456 1.00 0.00 H ATOM 360 HE1 TYR A 43 -6.858 26.859 24.382 1.00 0.00 H ATOM 361 HD1 TYR A 43 -5.090 26.495 26.068 1.00 0.00 H ATOM 362 HH TYR A 43 -8.228 28.310 23.425 1.00 0.00 H ATOM 363 H TYR A 43 -4.878 29.272 30.241 1.00 0.00 H ATOM 364 N ARG A 44 -2.746 25.942 29.722 1.00 13.93 N ATOM 365 CA ARG A 44 -1.573 25.456 30.447 1.00 12.68 C ATOM 366 C ARG A 44 -0.370 25.761 29.553 1.00 13.02 C ATOM 367 O ARG A 44 -0.258 25.234 28.452 1.00 12.17 O ATOM 368 CB ARG A 44 -1.691 23.949 30.694 1.00 13.82 C ATOM 369 CG ARG A 44 -0.626 23.370 31.630 1.00 13.46 C ATOM 370 CD ARG A 44 -0.761 23.909 33.059 1.00 16.49 C ATOM 371 NE ARG A 44 0.159 23.226 33.969 1.00 17.38 N ATOM 372 CZ ARG A 44 0.276 23.498 35.268 1.00 19.85 C ATOM 373 NH1 ARG A 44 -0.471 24.449 35.824 1.00 20.18 N ATOM 374 NH2 ARG A 44 1.135 22.813 36.014 1.00 20.99 N ATOM 375 HA ARG A 44 -1.475 25.935 31.421 1.00 0.00 H ATOM 376 HB2 ARG A 44 -2.670 23.751 31.130 1.00 0.00 H ATOM 377 HB3 ARG A 44 -1.613 23.440 29.733 1.00 0.00 H ATOM 378 HG2 ARG A 44 -0.729 22.285 31.652 1.00 0.00 H ATOM 379 HG3 ARG A 44 0.360 23.633 31.246 1.00 0.00 H ATOM 380 HD2 ARG A 44 -1.783 23.754 33.403 1.00 0.00 H ATOM 381 HD3 ARG A 44 -0.537 24.976 33.060 1.00 0.00 H ATOM 382 HE ARG A 44 0.763 22.477 33.575 1.00 0.00 H ATOM 383 HH12 ARG A 44 -0.376 24.658 36.838 1.00 0.00 H ATOM 384 HH11 ARG A 44 -1.149 24.983 35.244 1.00 0.00 H ATOM 385 HH22 ARG A 44 1.227 23.025 37.028 1.00 0.00 H ATOM 386 HH21 ARG A 44 1.716 22.065 35.584 1.00 0.00 H ATOM 387 H ARG A 44 -3.273 25.283 29.114 1.00 0.00 H ATOM 388 N VAL A 45 0.517 26.616 30.048 1.00 12.18 N ATOM 389 CA VAL A 45 1.679 27.067 29.295 1.00 13.05 C ATOM 390 C VAL A 45 3.018 26.472 29.700 1.00 13.77 C ATOM 391 O VAL A 45 3.357 26.413 30.885 1.00 14.69 O ATOM 392 CB VAL A 45 1.808 28.604 29.405 1.00 14.29 C ATOM 393 CG1 VAL A 45 3.017 29.082 28.642 1.00 13.69 C ATOM 394 CG2 VAL A 45 0.541 29.278 28.899 1.00 14.71 C ATOM 395 HA VAL A 45 1.482 26.719 28.281 1.00 0.00 H ATOM 396 HB VAL A 45 1.939 28.873 30.453 1.00 0.00 H ATOM 397 HG11 VAL A 45 3.913 28.618 29.055 1.00 0.00 H ATOM 398 HG12 VAL A 45 2.915 28.807 27.592 1.00 0.00 H ATOM 399 HG13 VAL A 45 3.095 30.166 28.729 1.00 0.00 H ATOM 400 HG21 VAL A 45 0.379 29.008 27.856 1.00 0.00 H ATOM 401 HG22 VAL A 45 -0.308 28.948 29.497 1.00 0.00 H ATOM 402 HG23 VAL A 45 0.648 30.359 28.983 1.00 0.00 H ATOM 403 H VAL A 45 0.376 26.978 31.013 1.00 0.00 H ATOM 404 N LYS A 46 3.777 26.036 28.699 1.00 12.59 N ATOM 405 CA LYS A 46 5.125 25.518 28.914 1.00 14.01 C ATOM 406 C LYS A 46 5.976 26.729 28.573 1.00 14.13 C ATOM 407 O LYS A 46 5.911 27.244 27.458 1.00 14.02 O ATOM 408 CB LYS A 46 5.466 24.365 27.954 1.00 13.13 C ATOM 409 CG LYS A 46 6.976 24.027 27.881 1.00 12.93 C ATOM 410 CD LYS A 46 7.540 23.566 29.226 1.00 15.53 C ATOM 411 CE LYS A 46 9.002 23.106 29.080 1.00 17.19 C ATOM 412 NZ LYS A 46 9.880 24.202 28.533 1.00 17.15 N ATOM 413 HA LYS A 46 5.267 25.113 29.916 1.00 0.00 H ATOM 414 HB2 LYS A 46 4.931 23.475 28.285 1.00 0.00 H ATOM 415 HB3 LYS A 46 5.128 24.640 26.955 1.00 0.00 H ATOM 416 HG2 LYS A 46 7.121 23.232 27.150 1.00 0.00 H ATOM 417 HG3 LYS A 46 7.518 24.917 27.561 1.00 0.00 H ATOM 418 HD2 LYS A 46 7.495 24.393 29.935 1.00 0.00 H ATOM 419 HD3 LYS A 46 6.940 22.736 29.599 1.00 0.00 H ATOM 420 HE2 LYS A 46 9.038 22.253 28.402 1.00 0.00 H ATOM 421 HE3 LYS A 46 9.378 22.807 30.059 1.00 0.00 H ATOM 422 HZ1 LYS A 46 9.532 24.489 27.596 1.00 0.00 H ATOM 423 HZ2 LYS A 46 9.856 25.018 29.177 1.00 0.00 H ATOM 424 HZ3 LYS A 46 10.856 23.853 28.449 1.00 0.00 H ATOM 425 H LYS A 46 3.398 26.065 27.731 1.00 0.00 H ATOM 426 N TRP A 47 6.775 27.190 29.523 1.00 15.54 N ATOM 427 CA TRP A 47 7.594 28.370 29.280 1.00 15.30 C ATOM 428 C TRP A 47 8.981 28.004 28.756 1.00 16.41 C ATOM 429 O TRP A 47 9.596 27.055 29.230 1.00 15.89 O ATOM 430 CB TRP A 47 7.719 29.171 30.577 1.00 14.08 C ATOM 431 CG TRP A 47 6.385 29.593 31.140 1.00 12.66 C ATOM 432 CD1 TRP A 47 5.647 28.951 32.095 1.00 13.58 C ATOM 433 CD2 TRP A 47 5.608 30.719 30.721 1.00 14.64 C ATOM 434 NE1 TRP A 47 4.453 29.608 32.293 1.00 15.47 N ATOM 435 CE2 TRP A 47 4.403 30.699 31.462 1.00 15.41 C ATOM 436 CE3 TRP A 47 5.812 31.746 29.788 1.00 14.52 C ATOM 437 CZ2 TRP A 47 3.403 31.666 31.299 1.00 14.80 C ATOM 438 CZ3 TRP A 47 4.817 32.710 29.626 1.00 16.44 C ATOM 439 CH2 TRP A 47 3.628 32.661 30.379 1.00 15.96 C ATOM 440 HA TRP A 47 7.105 28.971 28.513 1.00 0.00 H ATOM 441 HB2 TRP A 47 8.230 28.556 31.318 1.00 0.00 H ATOM 442 HB3 TRP A 47 8.311 30.065 30.378 1.00 0.00 H ATOM 443 HE1 TRP A 47 3.710 29.324 32.963 1.00 0.00 H ATOM 444 HD1 TRP A 47 5.958 28.050 32.623 1.00 0.00 H ATOM 445 HZ2 TRP A 47 2.481 31.630 31.880 1.00 0.00 H ATOM 446 HH2 TRP A 47 2.870 33.429 30.229 1.00 0.00 H ATOM 447 HZ3 TRP A 47 4.962 33.514 28.905 1.00 0.00 H ATOM 448 HE3 TRP A 47 6.730 31.790 29.201 1.00 0.00 H ATOM 449 H TRP A 47 6.818 26.709 30.444 1.00 0.00 H ATOM 450 N LYS A 48 9.470 28.760 27.778 1.00 17.09 N ATOM 451 CA LYS A 48 10.781 28.500 27.201 1.00 19.46 C ATOM 452 C LYS A 48 11.881 28.630 28.246 1.00 17.72 C ATOM 453 O LYS A 48 11.952 29.626 28.960 1.00 16.49 O ATOM 454 CB LYS A 48 11.059 29.475 26.056 1.00 21.74 C ATOM 455 CG LYS A 48 12.345 29.183 25.302 1.00 26.74 C ATOM 456 CD LYS A 48 12.666 30.261 24.276 1.00 33.47 C ATOM 457 CE LYS A 48 11.632 30.310 23.166 1.00 37.46 C ATOM 458 NZ LYS A 48 11.951 31.371 22.166 1.00 40.61 N ATOM 459 HA LYS A 48 10.777 27.478 26.822 1.00 0.00 H ATOM 460 HB2 LYS A 48 10.228 29.425 25.352 1.00 0.00 H ATOM 461 HB3 LYS A 48 11.123 30.482 26.469 1.00 0.00 H ATOM 462 HG2 LYS A 48 13.166 29.122 26.017 1.00 0.00 H ATOM 463 HG3 LYS A 48 12.242 28.228 24.788 1.00 0.00 H ATOM 464 HD2 LYS A 48 12.692 31.229 24.777 1.00 0.00 H ATOM 465 HD3 LYS A 48 13.643 30.053 23.839 1.00 0.00 H ATOM 466 HE2 LYS A 48 10.654 30.516 23.601 1.00 0.00 H ATOM 467 HE3 LYS A 48 11.607 29.344 22.662 1.00 0.00 H ATOM 468 HZ1 LYS A 48 11.970 32.297 22.639 1.00 0.00 H ATOM 469 HZ2 LYS A 48 12.881 31.178 21.742 1.00 0.00 H ATOM 470 HZ3 LYS A 48 11.224 31.375 21.423 1.00 0.00 H ATOM 471 H LYS A 48 8.904 29.554 27.417 1.00 0.00 H ATOM 472 N GLY A 49 12.737 27.619 28.335 1.00 17.49 N ATOM 473 CA GLY A 49 13.830 27.664 29.292 1.00 17.71 C ATOM 474 C GLY A 49 13.473 27.291 30.717 1.00 18.89 C ATOM 475 O GLY A 49 14.327 27.323 31.609 1.00 17.45 O ATOM 476 HA3 GLY A 49 14.226 28.679 29.301 1.00 0.00 H ATOM 477 HA2 GLY A 49 14.604 26.977 28.950 1.00 0.00 H ATOM 478 H GLY A 49 12.625 26.790 27.717 1.00 0.00 H ATOM 479 N TRP A 50 12.209 26.951 30.948 1.00 17.29 N ATOM 480 CA TRP A 50 11.769 26.556 32.284 1.00 17.81 C ATOM 481 C TRP A 50 11.279 25.108 32.299 1.00 19.41 C ATOM 482 O TRP A 50 10.478 24.705 31.455 1.00 17.03 O ATOM 483 CB TRP A 50 10.640 27.464 32.782 1.00 18.32 C ATOM 484 CG TRP A 50 11.066 28.865 33.099 1.00 19.44 C ATOM 485 CD1 TRP A 50 11.418 29.841 32.212 1.00 20.39 C ATOM 486 CD2 TRP A 50 11.174 29.449 34.404 1.00 22.32 C ATOM 487 NE1 TRP A 50 11.738 31.001 32.887 1.00 21.52 N ATOM 488 CE2 TRP A 50 11.598 30.786 34.232 1.00 22.34 C ATOM 489 CE3 TRP A 50 10.954 28.969 35.703 1.00 24.46 C ATOM 490 CZ2 TRP A 50 11.810 31.652 35.315 1.00 23.71 C ATOM 491 CZ3 TRP A 50 11.163 29.834 36.784 1.00 26.02 C ATOM 492 CH2 TRP A 50 11.588 31.160 36.578 1.00 26.52 C ATOM 493 HA TRP A 50 12.631 26.652 32.944 1.00 0.00 H ATOM 494 HB2 TRP A 50 9.872 27.508 32.010 1.00 0.00 H ATOM 495 HB3 TRP A 50 10.221 27.022 33.686 1.00 0.00 H ATOM 496 HE1 TRP A 50 12.037 31.894 32.446 1.00 0.00 H ATOM 497 HD1 TRP A 50 11.443 29.721 31.129 1.00 0.00 H ATOM 498 HZ2 TRP A 50 12.139 32.679 35.160 1.00 0.00 H ATOM 499 HH2 TRP A 50 11.744 31.810 37.439 1.00 0.00 H ATOM 500 HZ3 TRP A 50 10.994 29.475 37.799 1.00 0.00 H ATOM 501 HE3 TRP A 50 10.627 27.942 35.868 1.00 0.00 H ATOM 502 H TRP A 50 11.523 26.966 30.166 1.00 0.00 H ATOM 503 N ASN A 51 11.765 24.331 33.263 1.00 19.01 N ATOM 504 CA ASN A 51 11.364 22.936 33.399 1.00 20.53 C ATOM 505 C ASN A 51 9.835 22.888 33.409 1.00 20.65 C ATOM 506 O ASN A 51 9.185 23.764 33.977 1.00 19.24 O ATOM 507 CB ASN A 51 11.928 22.353 34.703 1.00 22.91 C ATOM 508 CG ASN A 51 11.740 20.850 34.803 1.00 26.29 C ATOM 509 OD1 ASN A 51 10.624 20.359 34.977 1.00 26.56 O ATOM 510 ND2 ASN A 51 12.838 20.110 34.692 1.00 28.56 N ATOM 511 HA ASN A 51 11.752 22.343 32.571 1.00 0.00 H ATOM 512 HB2 ASN A 51 12.994 22.575 34.752 1.00 0.00 H ATOM 513 HB3 ASN A 51 11.420 22.825 35.544 1.00 0.00 H ATOM 514 HD22 ASN A 51 13.761 20.567 34.546 1.00 0.00 H ATOM 515 HD21 ASN A 51 12.775 19.074 34.751 1.00 0.00 H ATOM 516 H ASN A 51 12.449 24.729 33.938 1.00 0.00 H ATOM 517 N GLN A 52 9.264 21.868 32.777 1.00 20.84 N ATOM 518 CA GLN A 52 7.811 21.745 32.706 1.00 22.06 C ATOM 519 C GLN A 52 7.148 21.672 34.073 1.00 23.37 C ATOM 520 O GLN A 52 5.936 21.860 34.196 1.00 19.69 O ATOM 521 CB GLN A 52 7.417 20.533 31.850 1.00 23.25 C ATOM 522 CG GLN A 52 7.864 19.172 32.374 1.00 24.32 C ATOM 523 CD GLN A 52 7.784 18.099 31.293 1.00 26.34 C ATOM 524 OE1 GLN A 52 6.867 18.104 30.466 1.00 26.07 O ATOM 525 NE2 GLN A 52 8.734 17.167 31.304 1.00 25.33 N ATOM 526 HA GLN A 52 7.445 22.657 32.234 1.00 0.00 H ATOM 527 HB2 GLN A 52 6.330 20.520 31.770 1.00 0.00 H ATOM 528 HB3 GLN A 52 7.851 20.668 30.859 1.00 0.00 H ATOM 529 HG2 GLN A 52 8.894 19.248 32.722 1.00 0.00 H ATOM 530 HG3 GLN A 52 7.221 18.885 33.206 1.00 0.00 H ATOM 531 HE22 GLN A 52 9.488 17.202 32.019 1.00 0.00 H ATOM 532 HE21 GLN A 52 8.722 16.404 30.597 1.00 0.00 H ATOM 533 H GLN A 52 9.861 21.146 32.326 1.00 0.00 H ATOM 534 N ARG A 53 7.933 21.407 35.110 1.00 24.79 N ATOM 535 CA ARG A 53 7.355 21.350 36.442 1.00 25.36 C ATOM 536 C ARG A 53 6.871 22.753 36.806 1.00 25.04 C ATOM 537 O ARG A 53 6.116 22.932 37.756 1.00 25.60 O ATOM 538 CB ARG A 53 8.386 20.856 37.468 1.00 28.92 C ATOM 539 CG ARG A 53 9.403 21.901 37.926 1.00 33.32 C ATOM 540 CD ARG A 53 10.219 21.379 39.114 1.00 36.55 C ATOM 541 NE ARG A 53 11.399 20.630 38.700 1.00 40.16 N ATOM 542 CZ ARG A 53 12.607 21.167 38.559 1.00 42.71 C ATOM 543 NH1 ARG A 53 12.795 22.456 38.803 1.00 42.99 N ATOM 544 NH2 ARG A 53 13.626 20.415 38.167 1.00 45.24 N ATOM 545 HA ARG A 53 6.523 20.646 36.454 1.00 0.00 H ATOM 546 HB2 ARG A 53 7.845 20.504 38.347 1.00 0.00 H ATOM 547 HB3 ARG A 53 8.933 20.025 37.023 1.00 0.00 H ATOM 548 HG2 ARG A 53 10.078 22.130 37.101 1.00 0.00 H ATOM 549 HG3 ARG A 53 8.876 22.807 38.224 1.00 0.00 H ATOM 550 HD2 ARG A 53 9.584 20.727 39.714 1.00 0.00 H ATOM 551 HD3 ARG A 53 10.539 22.228 39.718 1.00 0.00 H ATOM 552 HE ARG A 53 11.289 19.615 38.503 1.00 0.00 H ATOM 553 HH12 ARG A 53 13.741 22.874 38.692 1.00 0.00 H ATOM 554 HH11 ARG A 53 11.997 23.050 39.106 1.00 0.00 H ATOM 555 HH22 ARG A 53 14.571 20.836 38.057 1.00 0.00 H ATOM 556 HH21 ARG A 53 13.481 19.404 37.970 1.00 0.00 H ATOM 557 H ARG A 53 8.950 21.242 34.971 1.00 0.00 H ATOM 558 N TYR A 54 7.308 23.747 36.035 1.00 23.58 N ATOM 559 CA TYR A 54 6.917 25.133 36.270 1.00 22.36 C ATOM 560 C TYR A 54 5.829 25.654 35.322 1.00 20.76 C ATOM 561 O TYR A 54 5.592 26.862 35.254 1.00 20.10 O ATOM 562 CB TYR A 54 8.142 26.045 36.179 1.00 22.75 C ATOM 563 CG TYR A 54 9.196 25.740 37.218 1.00 25.08 C ATOM 564 CD1 TYR A 54 8.960 25.982 38.570 1.00 30.41 C ATOM 565 CD2 TYR A 54 10.416 25.180 36.853 1.00 25.76 C ATOM 566 CE1 TYR A 54 9.917 25.670 39.542 1.00 29.94 C ATOM 567 CE2 TYR A 54 11.376 24.863 37.810 1.00 28.16 C ATOM 568 CZ TYR A 54 11.121 25.109 39.154 1.00 32.16 C ATOM 569 OH TYR A 54 12.077 24.777 40.088 1.00 32.02 O ATOM 570 HA TYR A 54 6.487 25.150 37.272 1.00 0.00 H ATOM 571 HB3 TYR A 54 7.816 27.077 36.310 1.00 0.00 H ATOM 572 HB2 TYR A 54 8.587 25.929 35.191 1.00 0.00 H ATOM 573 HD2 TYR A 54 10.624 24.986 35.801 1.00 0.00 H ATOM 574 HE2 TYR A 54 12.326 24.423 37.506 1.00 0.00 H ATOM 575 HE1 TYR A 54 9.716 25.867 40.595 1.00 0.00 H ATOM 576 HD1 TYR A 54 8.011 26.423 38.876 1.00 0.00 H ATOM 577 HH TYR A 54 11.749 25.012 40.992 1.00 0.00 H ATOM 578 H TYR A 54 7.946 23.529 35.243 1.00 0.00 H ATOM 579 N ASN A 55 5.194 24.761 34.567 1.00 18.74 N ATOM 580 CA ASN A 55 4.117 25.182 33.674 1.00 16.17 C ATOM 581 C ASN A 55 3.056 25.851 34.536 1.00 16.77 C ATOM 582 O ASN A 55 2.946 25.554 35.725 1.00 15.54 O ATOM 583 CB ASN A 55 3.491 23.979 32.951 1.00 15.49 C ATOM 584 CG ASN A 55 4.408 23.381 31.900 1.00 16.20 C ATOM 585 OD1 ASN A 55 5.464 23.937 31.591 1.00 14.90 O ATOM 586 ND2 ASN A 55 4.005 22.241 31.339 1.00 14.45 N ATOM 587 HA ASN A 55 4.511 25.859 32.916 1.00 0.00 H ATOM 588 HB2 ASN A 55 3.259 23.211 33.689 1.00 0.00 H ATOM 589 HB3 ASN A 55 2.571 24.304 32.466 1.00 0.00 H ATOM 590 HD22 ASN A 55 3.106 21.807 31.631 1.00 0.00 H ATOM 591 HD21 ASN A 55 4.590 21.785 30.609 1.00 0.00 H ATOM 592 H ASN A 55 5.466 23.758 34.613 1.00 0.00 H ATOM 593 N THR A 56 2.283 26.753 33.944 1.00 15.47 N ATOM 594 CA THR A 56 1.235 27.442 34.680 1.00 16.38 C ATOM 595 C THR A 56 -0.053 27.556 33.872 1.00 17.36 C ATOM 596 O THR A 56 -0.050 27.466 32.640 1.00 16.87 O ATOM 597 CB THR A 56 1.669 28.875 35.046 1.00 15.85 C ATOM 598 OG1 THR A 56 1.930 29.611 33.841 1.00 17.26 O ATOM 599 CG2 THR A 56 2.933 28.859 35.911 1.00 16.95 C ATOM 600 HA THR A 56 1.058 26.847 35.576 1.00 0.00 H ATOM 601 HB THR A 56 0.867 29.348 35.612 1.00 0.00 H ATOM 602 HG1 THR A 56 2.209 30.532 34.072 1.00 0.00 H ATOM 603 HG23 THR A 56 2.738 28.301 36.827 1.00 0.00 H ATOM 604 HG21 THR A 56 3.743 28.383 35.359 1.00 0.00 H ATOM 605 HG22 THR A 56 3.214 29.882 36.160 1.00 0.00 H ATOM 606 H THR A 56 2.429 26.971 32.938 1.00 0.00 H ATOM 607 N TRP A 57 -1.164 27.740 34.578 1.00 17.06 N ATOM 608 CA TRP A 57 -2.445 27.941 33.913 1.00 18.27 C ATOM 609 C TRP A 57 -2.547 29.458 33.752 1.00 18.65 C ATOM 610 O TRP A 57 -2.352 30.198 34.716 1.00 20.84 O ATOM 611 CB TRP A 57 -3.614 27.455 34.776 1.00 17.50 C ATOM 612 CG TRP A 57 -3.831 25.954 34.760 1.00 17.26 C ATOM 613 CD1 TRP A 57 -3.579 25.074 35.774 1.00 16.88 C ATOM 614 CD2 TRP A 57 -4.374 25.176 33.684 1.00 16.89 C ATOM 615 NE1 TRP A 57 -3.940 23.795 35.397 1.00 17.68 N ATOM 616 CE2 TRP A 57 -4.433 23.833 34.119 1.00 17.23 C ATOM 617 CE3 TRP A 57 -4.824 25.485 32.395 1.00 15.73 C ATOM 618 CZ2 TRP A 57 -4.921 22.802 33.311 1.00 18.94 C ATOM 619 CZ3 TRP A 57 -5.310 24.460 31.587 1.00 17.48 C ATOM 620 CH2 TRP A 57 -5.356 23.133 32.052 1.00 19.90 C ATOM 621 HA TRP A 57 -2.496 27.390 32.974 1.00 0.00 H ATOM 622 HB2 TRP A 57 -3.427 27.761 35.805 1.00 0.00 H ATOM 623 HB3 TRP A 57 -4.525 27.934 34.416 1.00 0.00 H ATOM 624 HE1 TRP A 57 -3.852 22.943 35.987 1.00 0.00 H ATOM 625 HD1 TRP A 57 -3.154 25.342 36.741 1.00 0.00 H ATOM 626 HZ2 TRP A 57 -4.955 21.773 33.668 1.00 0.00 H ATOM 627 HH2 TRP A 57 -5.745 22.352 31.399 1.00 0.00 H ATOM 628 HZ3 TRP A 57 -5.660 24.689 30.580 1.00 0.00 H ATOM 629 HE3 TRP A 57 -4.795 26.511 32.029 1.00 0.00 H ATOM 630 H TRP A 57 -1.119 27.741 35.617 1.00 0.00 H ATOM 631 N GLU A 58 -2.833 29.923 32.544 1.00 18.40 N ATOM 632 CA GLU A 58 -2.951 31.356 32.310 1.00 19.18 C ATOM 633 C GLU A 58 -4.279 31.693 31.644 1.00 20.22 C ATOM 634 O GLU A 58 -4.751 30.957 30.783 1.00 20.07 O ATOM 635 CB GLU A 58 -1.810 31.849 31.401 1.00 18.92 C ATOM 636 CG GLU A 58 -0.386 31.649 31.932 1.00 18.26 C ATOM 637 CD GLU A 58 -0.111 32.395 33.227 1.00 18.14 C ATOM 638 OE1 GLU A 58 -0.828 33.380 33.517 1.00 18.49 O ATOM 639 OE2 GLU A 58 0.841 32.001 33.945 1.00 19.60 O ATOM 640 HA GLU A 58 -2.895 31.851 33.280 1.00 0.00 H ATOM 641 HB2 GLU A 58 -1.888 31.319 30.452 1.00 0.00 H ATOM 642 HB3 GLU A 58 -1.956 32.916 31.233 1.00 0.00 H ATOM 643 HG2 GLU A 58 -0.229 30.585 32.107 1.00 0.00 H ATOM 644 HG3 GLU A 58 0.317 31.999 31.176 1.00 0.00 H ATOM 645 H GLU A 58 -2.974 29.259 31.756 1.00 0.00 H ATOM 646 N PRO A 59 -4.907 32.810 32.045 1.00 21.05 N ATOM 647 CA PRO A 59 -6.180 33.205 31.439 1.00 21.67 C ATOM 648 C PRO A 59 -5.916 33.530 29.973 1.00 22.33 C ATOM 649 O PRO A 59 -4.799 33.905 29.617 1.00 22.42 O ATOM 650 CB PRO A 59 -6.585 34.433 32.259 1.00 23.08 C ATOM 651 CG PRO A 59 -5.261 35.035 32.630 1.00 22.51 C ATOM 652 CD PRO A 59 -4.464 33.809 33.032 1.00 21.35 C ATOM 653 HA PRO A 59 -6.967 32.451 31.451 1.00 0.00 H ATOM 654 HD3 PRO A 59 -3.392 33.992 32.955 1.00 0.00 H ATOM 655 HD2 PRO A 59 -4.706 33.496 34.047 1.00 0.00 H ATOM 656 HG3 PRO A 59 -5.361 35.734 33.461 1.00 0.00 H ATOM 657 HG2 PRO A 59 -4.805 35.545 31.781 1.00 0.00 H ATOM 658 HB2 PRO A 59 -7.179 35.126 31.662 1.00 0.00 H ATOM 659 HB3 PRO A 59 -7.148 34.145 33.146 1.00 0.00 H ATOM 660 N GLU A 60 -6.930 33.378 29.128 1.00 22.85 N ATOM 661 CA GLU A 60 -6.767 33.636 27.706 1.00 23.19 C ATOM 662 C GLU A 60 -6.195 35.017 27.401 1.00 22.19 C ATOM 663 O GLU A 60 -5.438 35.183 26.443 1.00 23.41 O ATOM 664 CB GLU A 60 -8.107 33.449 26.981 1.00 26.81 C ATOM 665 CG GLU A 60 -8.017 33.474 25.461 1.00 31.42 C ATOM 666 CD GLU A 60 -9.219 32.820 24.798 1.00 36.83 C ATOM 667 OE1 GLU A 60 -10.361 33.201 25.137 1.00 35.84 O ATOM 668 OE2 GLU A 60 -9.016 31.925 23.942 1.00 35.92 O ATOM 669 HA GLU A 60 -6.038 32.912 27.341 1.00 0.00 H ATOM 670 HB2 GLU A 60 -8.524 32.488 27.281 1.00 0.00 H ATOM 671 HB3 GLU A 60 -8.778 34.249 27.295 1.00 0.00 H ATOM 672 HG2 GLU A 60 -7.956 34.511 25.131 1.00 0.00 H ATOM 673 HG3 GLU A 60 -7.116 32.943 25.155 1.00 0.00 H ATOM 674 H GLU A 60 -7.855 33.070 29.489 1.00 0.00 H ATOM 675 N VAL A 61 -6.536 36.004 28.223 1.00 21.76 N ATOM 676 CA VAL A 61 -6.056 37.364 27.994 1.00 21.63 C ATOM 677 C VAL A 61 -4.540 37.473 28.163 1.00 19.92 C ATOM 678 O VAL A 61 -3.925 38.424 27.686 1.00 20.09 O ATOM 679 CB VAL A 61 -6.750 38.372 28.941 1.00 22.46 C ATOM 680 CG1 VAL A 61 -6.295 38.161 30.378 1.00 23.27 C ATOM 681 CG2 VAL A 61 -6.456 39.799 28.489 1.00 26.09 C ATOM 682 HA VAL A 61 -6.307 37.609 26.962 1.00 0.00 H ATOM 683 HB VAL A 61 -7.826 38.206 28.900 1.00 0.00 H ATOM 684 HG11 VAL A 61 -6.548 37.149 30.693 1.00 0.00 H ATOM 685 HG12 VAL A 61 -5.216 38.303 30.441 1.00 0.00 H ATOM 686 HG13 VAL A 61 -6.796 38.881 31.026 1.00 0.00 H ATOM 687 HG21 VAL A 61 -5.380 39.970 28.508 1.00 0.00 H ATOM 688 HG22 VAL A 61 -6.830 39.942 27.475 1.00 0.00 H ATOM 689 HG23 VAL A 61 -6.949 40.501 29.162 1.00 0.00 H ATOM 690 H VAL A 61 -7.151 35.806 29.038 1.00 0.00 H ATOM 691 N ASN A 62 -3.940 36.491 28.832 1.00 17.87 N ATOM 692 CA ASN A 62 -2.490 36.487 29.037 1.00 17.43 C ATOM 693 C ASN A 62 -1.733 35.854 27.867 1.00 15.31 C ATOM 694 O ASN A 62 -0.502 35.919 27.806 1.00 17.14 O ATOM 695 CB ASN A 62 -2.131 35.752 30.329 1.00 17.46 C ATOM 696 CG ASN A 62 -2.221 36.645 31.553 1.00 20.50 C ATOM 697 OD1 ASN A 62 -2.747 37.754 31.485 1.00 20.84 O ATOM 698 ND2 ASN A 62 -1.711 36.159 32.684 1.00 21.33 N ATOM 699 HA ASN A 62 -2.185 37.531 29.107 1.00 0.00 H ATOM 700 HB2 ASN A 62 -2.817 34.914 30.456 1.00 0.00 H ATOM 701 HB3 ASN A 62 -1.111 35.376 30.245 1.00 0.00 H ATOM 702 HD22 ASN A 62 -1.275 35.215 32.694 1.00 0.00 H ATOM 703 HD21 ASN A 62 -1.749 36.724 33.556 1.00 0.00 H ATOM 704 H ASN A 62 -4.512 35.712 29.216 1.00 0.00 H ATOM 705 N ILE A 63 -2.454 35.226 26.948 1.00 14.65 N ATOM 706 CA ILE A 63 -1.795 34.617 25.795 1.00 16.26 C ATOM 707 C ILE A 63 -1.666 35.717 24.737 1.00 15.69 C ATOM 708 O ILE A 63 -2.503 35.838 23.839 1.00 18.25 O ATOM 709 CB ILE A 63 -2.604 33.420 25.244 1.00 14.28 C ATOM 710 CG1 ILE A 63 -2.929 32.439 26.382 1.00 14.59 C ATOM 711 CG2 ILE A 63 -1.795 32.700 24.172 1.00 15.83 C ATOM 712 CD1 ILE A 63 -1.695 31.927 27.136 1.00 14.86 C ATOM 713 HA ILE A 63 -0.819 34.221 26.078 1.00 0.00 H ATOM 714 HB ILE A 63 -3.533 33.791 24.811 1.00 0.00 H ATOM 715 HG12 ILE A 63 -3.581 32.944 27.094 1.00 0.00 H ATOM 716 HG13 ILE A 63 -3.452 31.582 25.957 1.00 0.00 H ATOM 717 HD11 ILE A 63 -1.036 31.407 26.441 1.00 0.00 H ATOM 718 HD12 ILE A 63 -1.166 32.771 27.579 1.00 0.00 H ATOM 719 HD13 ILE A 63 -2.010 31.241 27.922 1.00 0.00 H ATOM 720 HG21 ILE A 63 -1.575 33.392 23.359 1.00 0.00 H ATOM 721 HG22 ILE A 63 -0.863 32.337 24.605 1.00 0.00 H ATOM 722 HG23 ILE A 63 -2.371 31.858 23.788 1.00 0.00 H ATOM 723 H ILE A 63 -3.488 35.167 27.048 1.00 0.00 H ATOM 724 N LEU A 64 -0.597 36.502 24.858 1.00 16.27 N ATOM 725 CA LEU A 64 -0.326 37.646 23.978 1.00 17.48 C ATOM 726 C LEU A 64 -0.139 37.300 22.497 1.00 18.36 C ATOM 727 O LEU A 64 -0.770 37.914 21.635 1.00 18.76 O ATOM 728 CB LEU A 64 0.898 38.402 24.504 1.00 18.15 C ATOM 729 CG LEU A 64 0.793 38.903 25.950 1.00 17.93 C ATOM 730 CD1 LEU A 64 2.060 39.655 26.327 1.00 17.74 C ATOM 731 CD2 LEU A 64 -0.424 39.796 26.085 1.00 20.59 C ATOM 732 HA LEU A 64 -1.221 38.267 24.007 1.00 0.00 H ATOM 733 HB2 LEU A 64 1.758 37.735 24.441 1.00 0.00 H ATOM 734 HB3 LEU A 64 1.062 39.266 23.860 1.00 0.00 H ATOM 735 HG LEU A 64 0.683 38.056 26.627 1.00 0.00 H ATOM 736 HD21 LEU A 64 -0.326 40.646 25.410 1.00 0.00 H ATOM 737 HD22 LEU A 64 -1.319 39.229 25.829 1.00 0.00 H ATOM 738 HD23 LEU A 64 -0.499 40.152 27.112 1.00 0.00 H ATOM 739 HD11 LEU A 64 2.917 38.988 26.237 1.00 0.00 H ATOM 740 HD12 LEU A 64 2.189 40.506 25.658 1.00 0.00 H ATOM 741 HD13 LEU A 64 1.979 40.008 27.355 1.00 0.00 H ATOM 742 H LEU A 64 0.083 36.294 25.617 1.00 0.00 H ATOM 743 N ASP A 65 0.717 36.322 22.211 1.00 17.51 N ATOM 744 CA ASP A 65 0.965 35.903 20.841 1.00 17.83 C ATOM 745 C ASP A 65 -0.046 34.819 20.493 1.00 19.01 C ATOM 746 O ASP A 65 0.045 33.693 20.992 1.00 18.00 O ATOM 747 CB ASP A 65 2.386 35.359 20.709 1.00 17.02 C ATOM 748 CG ASP A 65 2.811 35.178 19.256 1.00 18.48 C ATOM 749 OD1 ASP A 65 2.089 34.504 18.501 1.00 19.92 O ATOM 750 OD2 ASP A 65 3.876 35.705 18.885 1.00 19.27 O ATOM 751 HA ASP A 65 0.861 36.749 20.161 1.00 0.00 H ATOM 752 HB2 ASP A 65 3.073 36.055 21.190 1.00 0.00 H ATOM 753 HB3 ASP A 65 2.439 34.393 21.212 1.00 0.00 H ATOM 754 H ASP A 65 1.221 35.846 22.986 1.00 0.00 H ATOM 755 N ARG A 66 -1.001 35.152 19.629 1.00 18.21 N ATOM 756 CA ARG A 66 -2.048 34.211 19.251 1.00 19.38 C ATOM 757 C ARG A 66 -1.559 32.931 18.587 1.00 17.34 C ATOM 758 O ARG A 66 -2.299 31.959 18.514 1.00 17.11 O ATOM 759 CB ARG A 66 -3.084 34.895 18.349 1.00 24.07 C ATOM 760 CG ARG A 66 -4.413 34.160 18.339 1.00 29.34 C ATOM 761 CD ARG A 66 -5.236 34.484 17.104 1.00 35.52 C ATOM 762 NE ARG A 66 -4.514 34.136 15.884 1.00 41.13 N ATOM 763 CZ ARG A 66 -5.062 34.087 14.675 1.00 44.20 C ATOM 764 NH1 ARG A 66 -6.351 34.364 14.522 1.00 46.98 N ATOM 765 NH2 ARG A 66 -4.318 33.766 13.622 1.00 45.45 N ATOM 766 HA ARG A 66 -2.498 33.902 20.195 1.00 0.00 H ATOM 767 HB2 ARG A 66 -3.247 35.911 18.710 1.00 0.00 H ATOM 768 HB3 ARG A 66 -2.695 34.930 17.331 1.00 0.00 H ATOM 769 HG2 ARG A 66 -4.222 33.087 18.363 1.00 0.00 H ATOM 770 HG3 ARG A 66 -4.980 34.446 19.225 1.00 0.00 H ATOM 771 HD2 ARG A 66 -5.458 35.551 17.094 1.00 0.00 H ATOM 772 HD3 ARG A 66 -6.168 33.920 17.139 1.00 0.00 H ATOM 773 HE ARG A 66 -3.502 33.911 15.967 1.00 0.00 H ATOM 774 HH12 ARG A 66 -6.782 34.326 13.576 1.00 0.00 H ATOM 775 HH11 ARG A 66 -6.930 34.619 15.348 1.00 0.00 H ATOM 776 HH22 ARG A 66 -4.746 33.727 12.675 1.00 0.00 H ATOM 777 HH21 ARG A 66 -3.307 33.553 13.745 1.00 0.00 H ATOM 778 H ARG A 66 -1.001 36.105 19.214 1.00 0.00 H ATOM 779 N ARG A 67 -0.323 32.916 18.103 1.00 17.99 N ATOM 780 CA ARG A 67 0.177 31.706 17.461 1.00 19.05 C ATOM 781 C ARG A 67 0.157 30.538 18.440 1.00 17.57 C ATOM 782 O ARG A 67 0.004 29.378 18.038 1.00 16.51 O ATOM 783 CB ARG A 67 1.600 31.902 16.942 1.00 17.86 C ATOM 784 CG ARG A 67 1.693 32.774 15.701 1.00 18.95 C ATOM 785 CD ARG A 67 3.140 32.993 15.301 1.00 19.10 C ATOM 786 NE ARG A 67 3.842 33.853 16.256 1.00 20.30 N ATOM 787 CZ ARG A 67 5.154 34.066 16.252 1.00 21.01 C ATOM 788 NH1 ARG A 67 5.924 33.479 15.343 1.00 25.55 N ATOM 789 NH2 ARG A 67 5.699 34.872 17.148 1.00 20.02 N ATOM 790 HA ARG A 67 -0.477 31.488 16.617 1.00 0.00 H ATOM 791 HB2 ARG A 67 2.192 32.365 17.731 1.00 0.00 H ATOM 792 HB3 ARG A 67 2.016 30.923 16.705 1.00 0.00 H ATOM 793 HG2 ARG A 67 1.166 32.286 14.881 1.00 0.00 H ATOM 794 HG3 ARG A 67 1.229 33.739 15.907 1.00 0.00 H ATOM 795 HD2 ARG A 67 3.168 33.461 14.317 1.00 0.00 H ATOM 796 HD3 ARG A 67 3.645 32.028 15.257 1.00 0.00 H ATOM 797 HE ARG A 67 3.276 34.329 16.987 1.00 0.00 H ATOM 798 HH12 ARG A 67 6.950 33.648 15.343 1.00 0.00 H ATOM 799 HH11 ARG A 67 5.501 32.850 14.631 1.00 0.00 H ATOM 800 HH22 ARG A 67 6.726 35.037 17.143 1.00 0.00 H ATOM 801 HH21 ARG A 67 5.101 35.341 17.858 1.00 0.00 H ATOM 802 H ARG A 67 0.282 33.758 18.181 1.00 0.00 H ATOM 803 N LEU A 68 0.312 30.845 19.724 1.00 16.83 N ATOM 804 CA LEU A 68 0.303 29.810 20.751 1.00 15.06 C ATOM 805 C LEU A 68 -1.039 29.088 20.738 1.00 16.48 C ATOM 806 O LEU A 68 -1.094 27.859 20.846 1.00 15.35 O ATOM 807 CB LEU A 68 0.572 30.435 22.127 1.00 13.57 C ATOM 808 CG LEU A 68 2.017 30.930 22.314 1.00 14.49 C ATOM 809 CD1 LEU A 68 2.092 31.957 23.440 1.00 11.63 C ATOM 810 CD2 LEU A 68 2.939 29.737 22.611 1.00 15.44 C ATOM 811 HA LEU A 68 1.091 29.085 20.544 1.00 0.00 H ATOM 812 HB2 LEU A 68 -0.101 31.282 22.257 1.00 0.00 H ATOM 813 HB3 LEU A 68 0.364 29.686 22.891 1.00 0.00 H ATOM 814 HG LEU A 68 2.346 31.413 21.394 1.00 0.00 H ATOM 815 HD21 LEU A 68 2.606 29.240 23.522 1.00 0.00 H ATOM 816 HD22 LEU A 68 2.902 29.035 21.778 1.00 0.00 H ATOM 817 HD23 LEU A 68 3.961 30.093 22.743 1.00 0.00 H ATOM 818 HD11 LEU A 68 1.455 32.808 23.197 1.00 0.00 H ATOM 819 HD12 LEU A 68 1.752 31.501 24.369 1.00 0.00 H ATOM 820 HD13 LEU A 68 3.122 32.294 23.555 1.00 0.00 H ATOM 821 H LEU A 68 0.442 31.839 20.000 1.00 0.00 H ATOM 822 N ILE A 69 -2.121 29.850 20.603 1.00 16.72 N ATOM 823 CA ILE A 69 -3.458 29.267 20.570 1.00 19.72 C ATOM 824 C ILE A 69 -3.732 28.607 19.215 1.00 21.89 C ATOM 825 O ILE A 69 -4.325 27.529 19.152 1.00 21.86 O ATOM 826 CB ILE A 69 -4.539 30.333 20.857 1.00 20.10 C ATOM 827 CG1 ILE A 69 -4.413 30.809 22.313 1.00 21.56 C ATOM 828 CG2 ILE A 69 -5.937 29.755 20.604 1.00 21.32 C ATOM 829 CD1 ILE A 69 -5.362 31.940 22.695 1.00 22.88 C ATOM 830 HA ILE A 69 -3.502 28.507 21.350 1.00 0.00 H ATOM 831 HB ILE A 69 -4.393 31.181 20.188 1.00 0.00 H ATOM 832 HG12 ILE A 69 -4.614 29.961 22.967 1.00 0.00 H ATOM 833 HG13 ILE A 69 -3.391 31.154 22.471 1.00 0.00 H ATOM 834 HD11 ILE A 69 -5.168 32.805 22.061 1.00 0.00 H ATOM 835 HD12 ILE A 69 -6.392 31.611 22.557 1.00 0.00 H ATOM 836 HD13 ILE A 69 -5.202 32.210 23.739 1.00 0.00 H ATOM 837 HG21 ILE A 69 -6.015 29.439 19.564 1.00 0.00 H ATOM 838 HG22 ILE A 69 -6.098 28.898 21.258 1.00 0.00 H ATOM 839 HG23 ILE A 69 -6.687 30.518 20.811 1.00 0.00 H ATOM 840 H ILE A 69 -2.012 30.881 20.519 1.00 0.00 H ATOM 841 N ASP A 70 -3.295 29.249 18.133 1.00 22.47 N ATOM 842 CA ASP A 70 -3.493 28.695 16.791 1.00 25.28 C ATOM 843 C ASP A 70 -2.864 27.313 16.672 1.00 25.72 C ATOM 844 O ASP A 70 -3.492 26.364 16.197 1.00 27.52 O ATOM 845 CB ASP A 70 -2.874 29.604 15.720 1.00 25.33 C ATOM 846 CG ASP A 70 -3.567 30.942 15.620 1.00 26.41 C ATOM 847 OD1 ASP A 70 -4.789 30.997 15.863 1.00 29.55 O ATOM 848 OD2 ASP A 70 -2.896 31.938 15.278 1.00 29.61 O ATOM 849 HA ASP A 70 -4.569 28.624 16.633 1.00 0.00 H ATOM 850 HB2 ASP A 70 -1.826 29.771 15.968 1.00 0.00 H ATOM 851 HB3 ASP A 70 -2.942 29.103 14.755 1.00 0.00 H ATOM 852 H ASP A 70 -2.805 30.160 18.243 1.00 0.00 H ATOM 853 N ILE A 71 -1.609 27.213 17.093 1.00 24.37 N ATOM 854 CA ILE A 71 -0.888 25.950 17.034 1.00 25.46 C ATOM 855 C ILE A 71 -1.575 24.877 17.879 1.00 25.99 C ATOM 856 O ILE A 71 -1.580 23.699 17.513 1.00 26.51 O ATOM 857 CB ILE A 71 0.573 26.143 17.494 1.00 24.49 C ATOM 858 CG1 ILE A 71 1.295 27.066 16.502 1.00 25.85 C ATOM 859 CG2 ILE A 71 1.287 24.795 17.594 1.00 24.09 C ATOM 860 CD1 ILE A 71 2.736 27.396 16.869 1.00 26.18 C ATOM 861 HA ILE A 71 -0.890 25.612 15.998 1.00 0.00 H ATOM 862 HB ILE A 71 0.583 26.600 18.484 1.00 0.00 H ATOM 863 HG12 ILE A 71 1.296 26.581 15.526 1.00 0.00 H ATOM 864 HG13 ILE A 71 0.738 28.001 16.441 1.00 0.00 H ATOM 865 HD11 ILE A 71 2.758 27.896 17.837 1.00 0.00 H ATOM 866 HD12 ILE A 71 3.316 26.475 16.921 1.00 0.00 H ATOM 867 HD13 ILE A 71 3.162 28.052 16.110 1.00 0.00 H ATOM 868 HG21 ILE A 71 0.769 24.164 18.316 1.00 0.00 H ATOM 869 HG22 ILE A 71 1.284 24.311 16.618 1.00 0.00 H ATOM 870 HG23 ILE A 71 2.315 24.953 17.920 1.00 0.00 H ATOM 871 H ILE A 71 -1.131 28.055 17.473 1.00 0.00 H ATOM 872 N TYR A 72 -2.174 25.289 18.995 1.00 26.92 N ATOM 873 CA TYR A 72 -2.866 24.355 19.887 1.00 27.06 C ATOM 874 C TYR A 72 -4.160 23.794 19.314 1.00 29.32 C ATOM 875 O TYR A 72 -4.304 22.579 19.170 1.00 29.11 O ATOM 876 CB TYR A 72 -3.195 25.016 21.231 1.00 22.97 C ATOM 877 CG TYR A 72 -3.932 24.087 22.178 1.00 22.37 C ATOM 878 CD1 TYR A 72 -3.276 23.013 22.788 1.00 20.30 C ATOM 879 CD2 TYR A 72 -5.300 24.243 22.411 1.00 21.98 C ATOM 880 CE1 TYR A 72 -3.968 22.112 23.603 1.00 20.85 C ATOM 881 CE2 TYR A 72 -6.004 23.353 23.221 1.00 23.10 C ATOM 882 CZ TYR A 72 -5.334 22.289 23.812 1.00 22.60 C ATOM 883 OH TYR A 72 -6.021 21.392 24.601 1.00 23.79 O ATOM 884 HA TYR A 72 -2.167 23.529 20.015 1.00 0.00 H ATOM 885 HB3 TYR A 72 -3.818 25.891 21.046 1.00 0.00 H ATOM 886 HB2 TYR A 72 -2.264 25.328 21.703 1.00 0.00 H ATOM 887 HD2 TYR A 72 -5.828 25.078 21.950 1.00 0.00 H ATOM 888 HE2 TYR A 72 -7.072 23.491 23.389 1.00 0.00 H ATOM 889 HE1 TYR A 72 -3.444 21.279 24.071 1.00 0.00 H ATOM 890 HD1 TYR A 72 -2.207 22.876 22.625 1.00 0.00 H ATOM 891 HH TYR A 72 -6.731 20.959 24.064 1.00 0.00 H ATOM 892 H TYR A 72 -2.150 26.300 19.240 1.00 0.00 H ATOM 893 N GLU A 73 -5.102 24.685 19.016 1.00 31.00 N ATOM 894 CA GLU A 73 -6.407 24.297 18.488 1.00 33.41 C ATOM 895 C GLU A 73 -6.330 23.190 17.440 1.00 34.42 C ATOM 896 O GLU A 73 -6.718 23.375 16.290 1.00 35.37 O ATOM 897 CB GLU A 73 -7.123 25.523 17.912 1.00 33.42 C ATOM 898 CG GLU A 73 -7.404 26.603 18.951 1.00 36.57 C ATOM 899 CD GLU A 73 -8.225 27.756 18.402 1.00 37.98 C ATOM 900 OE1 GLU A 73 -7.889 28.265 17.313 1.00 39.58 O ATOM 901 OE2 GLU A 73 -9.197 28.164 19.069 1.00 40.64 O ATOM 902 HA GLU A 73 -6.976 23.891 19.324 1.00 0.00 H ATOM 903 HB2 GLU A 73 -6.499 25.951 17.128 1.00 0.00 H ATOM 904 HB3 GLU A 73 -8.072 25.200 17.484 1.00 0.00 H ATOM 905 HG2 GLU A 73 -7.948 26.153 19.781 1.00 0.00 H ATOM 906 HG3 GLU A 73 -6.453 26.994 19.311 1.00 0.00 H ATOM 907 H GLU A 73 -4.902 25.695 19.165 1.00 0.00 H TER 908 GLU A 73 HETATM 909 O HOH 1 3.538 42.592 39.087 1.00 72.85 O HETATM 910 O HOH 2 -4.291 23.975 16.206 1.00 43.33 O HETATM 911 O HOH 3 -5.320 22.721 14.292 1.00 77.36 O HETATM 912 O HOH 4 -1.197 37.120 39.933 1.00 74.46 O HETATM 913 O HOH 5 -11.544 27.481 37.202 1.00 88.89 O HETATM 914 O HOH 6 -10.450 24.738 38.537 1.00 48.83 O HETATM 915 O HOH 7 12.454 18.146 37.371 1.00 69.34 O HETATM 916 O HOH 8 10.909 38.018 28.563 1.00 66.76 O HETATM 917 O HOH 9 10.775 37.235 26.099 1.00 71.96 O HETATM 918 O HOH 10 1.764 21.011 33.123 1.00 12.23 O HETATM 919 O HOH 11 15.558 30.574 23.545 1.00 94.28 O HETATM 920 O HOH 12 11.541 30.108 19.584 1.00 86.93 O HETATM 921 O HOH 13 1.063 38.293 40.225 1.00 43.08 O HETATM 922 O HOH 14 -13.643 29.526 37.542 1.00 69.58 O HETATM 923 O HOH 15 -11.327 34.358 27.218 1.00 48.24 O HETATM 924 O HOH 16 -5.205 19.468 16.896 1.00 69.24 O HETATM 925 O HOH 17 -6.128 17.508 18.270 1.00 68.17 O HETATM 926 O HOH 18 -8.478 21.042 19.712 1.00 70.35 O HETATM 927 O HOH 19 -6.381 19.908 19.038 1.00 45.26 O HETATM 928 O HOH 20 7.325 25.864 32.060 1.00 14.68 O HETATM 929 O HOH 21 14.183 25.168 34.486 1.00 17.82 O HETATM 930 O HOH 22 1.602 23.694 21.249 1.00 46.90 O HETATM 931 O HOH 23 1.212 26.238 21.456 1.00 15.52 O HETATM 932 O HOH 24 5.356 20.691 29.104 1.00 13.72 O HETATM 933 O HOH 25 -1.042 27.646 37.612 1.00 26.32 O HETATM 934 O HOH 26 3.325 21.000 35.353 1.00 25.55 O HETATM 935 O HOH 27 3.756 26.783 20.200 1.00 20.54 O HETATM 936 O HOH 28 -12.572 22.379 30.214 1.00 35.15 O HETATM 937 O HOH 29 1.129 32.037 36.553 1.00 21.09 O HETATM 938 O HOH 30 5.195 25.271 18.671 1.00 33.99 O HETATM 939 O HOH 31 8.678 31.461 22.600 1.00 26.95 O HETATM 940 O HOH 32 2.178 17.400 34.360 1.00 25.63 O HETATM 941 O HOH 33 -8.545 21.269 24.500 1.00 35.90 O HETATM 942 O HOH 34 10.245 31.904 29.285 1.00 22.35 O HETATM 943 O HOH 35 -1.145 18.832 23.868 1.00 36.20 O HETATM 944 O HOH 36 12.838 33.468 31.419 1.00 39.33 O HETATM 945 O HOH 37 -8.859 36.072 29.987 1.00 32.37 O HETATM 946 O HOH 38 11.490 17.232 32.030 1.00 39.17 O HETATM 947 O HOH 39 11.010 19.669 32.413 1.00 52.47 O HETATM 948 O HOH 40 -16.679 30.296 41.890 1.00 53.48 O HETATM 949 O HOH 41 -16.576 23.851 32.632 1.00 32.90 O HETATM 950 O HOH 42 14.441 24.309 29.858 1.00 45.29 O HETATM 951 O HOH 43 -0.237 21.410 17.177 1.00 62.09 O HETATM 952 O HOH 44 12.469 22.738 29.106 1.00 44.67 O HETATM 953 O HOH 45 0.772 21.660 19.763 1.00 39.86 O HETATM 954 O HOH 46 11.110 37.503 31.142 1.00 46.52 O HETATM 955 O HOH 47 -17.374 34.038 33.659 1.00 36.55 O HETATM 956 O HOH 48 10.043 39.675 32.251 1.00 63.80 O HETATM 957 O HOH 49 -18.850 31.243 41.946 1.00 38.05 O HETATM 958 O HOH 50 5.402 31.650 13.069 1.00 36.42 O HETATM 959 O HOH 51 12.177 25.690 25.852 1.00 43.49 O HETATM 960 O HOH 52 -4.526 19.123 34.060 1.00 43.70 O HETATM 961 O HOH 53 -19.743 26.286 41.895 1.00 54.54 O HETATM 962 O HOH 54 5.866 18.589 36.161 1.00 65.27 O HETATM 963 O HOH 55 5.760 27.676 37.795 1.00 27.90 O HETATM 964 O HOH 56 -3.675 21.403 36.663 1.00 40.70 O HETATM 965 O HOH 57 -12.038 33.785 30.321 1.00 36.44 O HETATM 966 O HOH 58 11.136 34.489 28.843 1.00 32.24 O HETATM 967 O HOH 59 -8.787 27.314 22.013 1.00 39.49 O HETATM 968 O HOH 60 -9.653 33.643 31.912 1.00 41.39 O HETATM 969 O HOH 61 7.238 42.315 31.432 1.00 38.42 O HETATM 970 O HOH 62 -3.128 18.514 17.823 1.00 47.45 O HETATM 971 O HOH 63 -16.774 32.777 36.802 1.00 40.72 O HETATM 972 O HOH 64 -4.191 35.375 21.450 1.00 54.32 O HETATM 973 O HOH 65 -3.354 24.989 13.361 1.00 47.89 O HETATM 974 O HOH 66 3.408 23.400 38.093 1.00 52.49 O HETATM 975 O HOH 67 -17.628 32.709 39.769 1.00 29.72 O HETATM 976 O HOH 68 0.639 34.772 42.081 1.00 63.88 O HETATM 977 O HOH 69 10.898 20.473 30.218 1.00 41.85 O HETATM 978 O HOH 70 -0.171 24.097 13.464 1.00 51.54 O HETATM 979 O HOH 71 10.011 33.445 39.295 1.00 48.92 O HETATM 980 O HOH 72 -4.169 20.428 14.377 1.00 46.54 O HETATM 981 O HOH 73 13.521 35.997 34.703 1.00 65.16 O HETATM 982 O HOH 74 -3.445 20.421 20.895 1.00 43.88 O HETATM 983 O HOH 75 5.989 20.436 26.779 1.00 40.95 O HETATM 984 O HOH 76 -1.844 20.357 18.702 1.00 52.93 O HETATM 985 O HOH 77 -12.877 35.573 32.008 1.00 66.20 O HETATM 986 O HOH 78 6.521 30.893 38.476 1.00 36.48 O HETATM 987 O HOH 79 -7.721 32.900 35.299 1.00 55.77 O HETATM 988 O HOH 80 3.527 19.430 22.474 1.00 54.04 O HETATM 989 O HOH 81 9.673 18.312 36.266 1.00 56.85 O HETATM 990 O HOH 82 -10.509 21.838 38.190 1.00 41.47 O HETATM 991 O HOH 83 -16.239 30.549 27.359 1.00 38.27 O HETATM 992 O HOH 84 -10.680 29.860 36.540 1.00 54.05 O HETATM 993 O HOH 85 -19.972 32.828 40.176 1.00 35.23 O HETATM 994 O HOH 86 -5.883 26.568 14.549 1.00 46.85 O HETATM 995 O HOH 87 -15.726 28.496 25.974 1.00 48.13 O HETATM 996 O HOH 88 -9.802 20.747 26.901 1.00 46.84 O HETATM 997 O HOH 89 -5.379 31.151 35.199 1.00 43.96 O HETATM 998 O HOH 90 -0.938 31.598 13.582 1.00 53.98 O HETATM 999 O HOH 91 1.970 29.889 13.751 1.00 41.49 O HETATM 1000 O HOH 92 10.246 19.428 28.152 1.00 44.56 O HETATM 1001 O HOH 93 -6.565 37.817 16.131 1.00 58.68 O HETATM 1002 O HOH 94 8.259 19.341 22.981 1.00 54.55 O HETATM 1003 O HOH 95 13.706 32.063 27.953 1.00 56.38 O HETATM 1004 O HOH 96 -1.389 34.677 40.374 1.00 66.92 O HETATM 1005 O HOH 97 -12.436 29.251 23.315 1.00 43.15 O HETATM 1006 O HOH 98 6.320 21.748 20.488 1.00 41.73 O HETATM 1007 O HOH 99 -2.910 22.955 14.576 1.00 34.15 O HETATM 1008 O HOH 100 -14.280 36.047 37.778 1.00 42.30 O HETATM 1009 O HOH 101 -7.566 20.923 35.353 1.00 62.85 O HETATM 1010 O HOH 102 -7.768 32.610 18.925 1.00 41.59 O HETATM 1011 O HOH 103 -6.816 30.784 17.269 1.00 42.13 O HETATM 1012 O HOH 104 10.453 21.284 25.980 1.00 54.44 O HETATM 1013 O HOH 105 4.500 22.900 18.886 1.00 61.71 O HETATM 1014 O HOH 106 -0.929 26.559 13.102 1.00 65.57 O HETATM 1015 O HOH 107 8.491 19.320 26.475 1.00 63.55 O HETATM 1016 O HOH 108 -15.445 35.317 30.584 1.00 67.55 O HETATM 1017 O HOH 109 -16.416 26.176 26.633 1.00 52.08 O HETATM 1018 O HOH 110 15.266 23.625 41.087 1.00 41.76 O HETATM 1019 O HOH 111 8.036 21.242 24.994 1.00 46.53 O HETATM 1020 O HOH 112 -3.192 27.482 12.194 1.00 63.30 O HETATM 1021 O HOH 113 -2.925 30.301 11.548 1.00 56.14 O HETATM 1022 O HOH 114 -14.867 24.960 41.413 1.00 64.12 O HETATM 1023 O HOH 115 -1.624 30.543 37.364 1.00 46.09 O HETATM 1024 O HOH 116 -6.665 20.106 40.713 1.00 55.69 O HETATM 1025 O HOH 117 5.186 18.740 38.694 1.00 60.45 O HETATM 1026 O HOH 118 6.009 26.445 16.323 1.00 59.26 O HETATM 1027 O HOH 119 7.036 43.967 29.177 1.00 69.77 O HETATM 1028 O HOH 120 -10.002 30.608 20.494 1.00 57.83 O HETATM 1029 O HOH 121 -10.988 24.116 41.385 1.00 52.33 O HETATM 1030 O HOH 122 15.078 24.336 37.919 1.00 44.96 O HETATM 1031 O HOH 123 13.164 24.658 27.696 1.00 62.10 O HETATM 1032 O HOH 124 5.071 37.460 20.627 1.00 29.17 O HETATM 1033 O HOH 125 -4.537 37.672 22.530 1.00 69.30 O HETATM 1034 O HOH 126 15.825 20.307 36.433 1.00 58.95 O HETATM 1035 O HOH 127 -9.074 27.924 37.813 1.00 48.03 O HETATM 1036 O HOH 128 17.650 21.554 35.086 1.00 73.84 O HETATM 1037 O HOH 129 13.276 22.652 26.059 1.00 71.17 O HETATM 1038 O HOH 130 -18.648 25.960 36.572 1.00 75.67 O HETATM 1039 O HOH 131 -1.781 18.434 20.672 1.00 54.90 O HETATM 1040 O HOH 132 -2.989 26.748 39.106 1.00 45.20 O HETATM 1041 O HOH 133 10.049 17.406 33.962 1.00 56.49 O HETATM 1042 O HOH 134 -17.242 26.016 42.121 1.00 45.04 O HETATM 1043 O HOH 135 -3.593 21.318 16.584 1.00 55.29 O HETATM 1044 O HOH 136 -5.829 28.987 37.556 1.00 54.48 O HETATM 1045 O HOH 137 6.630 17.700 27.752 1.00 21.08 O HETATM 1046 O HOH 138 13.879 26.508 24.171 1.00 68.83 O HETATM 1047 O HOH 139 3.808 20.884 38.256 1.00 50.96 O HETATM 1048 O HOH 140 -15.319 22.447 29.548 1.00 46.72 O HETATM 1049 O HOH 141 -0.633 23.520 21.321 1.00 47.94 O HETATM 1050 O HOH 142 -6.577 19.875 25.321 1.00 71.90 O HETATM 1051 O HOH 143 3.191 21.636 20.702 1.00 59.30 O HETATM 1052 O HOH 144 -7.885 34.484 22.084 1.00 57.77 O HETATM 1053 O HOH 145 -2.242 38.690 38.144 1.00 64.39 O HETATM 1054 O HOH 146 -5.644 35.535 23.807 1.00 62.05 O HETATM 1055 O HOH 147 5.008 38.142 36.087 1.00 59.99 O HETATM 1056 O HOH 148 -13.819 21.985 38.093 1.00 85.68 O HETATM 1057 O HOH 149 7.863 20.192 28.819 1.00 92.97 O HETATM 1058 O HOH 150 -9.481 35.505 33.924 1.00 46.01 O HETATM 1059 O HOH 151 -4.241 39.229 33.275 1.00 45.08 O HETATM 1060 O HOH 152 -7.636 24.681 13.609 1.00 50.15 O HETATM 1061 O HOH 153 -11.733 35.379 36.042 1.00 54.51 O HETATM 1062 O HOH 154 -10.702 27.945 34.321 1.00 37.25 O HETATM 1063 O HOH 155 16.105 23.852 27.419 1.00 69.69 O HETATM 1064 O HOH 156 4.493 29.575 38.488 1.00 56.66 O HETATM 1065 O HOH 157 8.577 37.554 24.655 1.00 55.48 O HETATM 1066 O HOH 158 8.280 23.257 21.641 1.00 54.72 O HETATM 1067 O HOH 159 4.586 43.691 31.303 1.00 58.12 O HETATM 1068 O HOH 160 -5.930 19.709 21.638 1.00 63.23 O HETATM 1069 O HOH 161 -5.685 21.726 38.440 1.00 72.01 O HETATM 1070 O HOH 162 -5.471 26.754 38.710 1.00 45.44 O HETATM 1071 O HOH 163 -0.002 18.954 35.500 1.00 33.88 O HETATM 1072 O HOH 164 4.123 18.829 25.053 1.00 39.11 O HETATM 1073 O HOH 165 -8.605 26.227 39.666 1.00 63.06 O HETATM 1074 O HOH 166 9.107 42.951 28.006 1.00 61.14 O HETATM 1075 O HOH 167 12.793 35.320 24.969 1.00 72.39 O HETATM 1076 O HOH 168 -4.289 36.676 15.382 1.00 46.12 O HETATM 1077 O HOH 169 -5.304 31.943 11.902 1.00 64.30 O HETATM 1078 O HOH 170 8.041 30.205 40.213 1.00 40.98 O HETATM 1079 O HOH 171 -0.049 39.309 36.864 1.00 42.93 O HETATM 1080 O HOH 172 -1.716 38.520 34.792 1.00 39.27 O HETATM 1081 O HOH 173 -11.486 22.696 27.406 1.00 59.70 O HETATM 1082 O HOH 174 9.292 29.696 20.829 1.00 70.76 O HETATM 1083 O HOH 175 7.568 27.904 20.217 1.00 39.41 O HETATM 1084 O HOH 176 10.430 27.681 22.063 1.00 66.43 O HETATM 1085 O HOH 177 5.684 35.753 39.699 1.00 44.76 O HETATM 1086 O HOH 178 7.950 25.479 19.535 1.00 58.74 O HETATM 1087 O HOH 179 12.368 34.953 18.105 1.00 42.65 O HETATM 1088 O HOH 180 -4.025 41.832 31.228 1.00 62.82 O HETATM 1089 O HOH 181 11.710 37.390 18.866 1.00 50.80 O HETATM 1090 O HOH 182 4.469 29.276 14.607 1.00 61.63 O HETATM 1091 O HOH 183 13.456 32.845 15.733 1.00 64.86 O HETATM 1092 O HOH 184 -3.424 32.099 36.508 1.00 48.45 O HETATM 1093 O HOH 185 6.815 29.540 15.899 1.00 49.17 O HETATM 1094 O HOH 186 14.510 36.384 17.930 1.00 54.47 O HETATM 1095 O HOH 187 4.769 35.889 37.012 1.00 61.93 O HETATM 1096 O HOH 188 7.395 36.885 21.277 1.00 62.45 O HETATM 1097 O HOH 189 -2.533 40.482 29.067 1.00 33.82 O HETATM 1098 O HOH 190 15.130 34.703 16.053 1.00 59.08 O HETATM 1099 O HOH 191 9.087 37.152 18.199 1.00 55.29 O HETATM 1100 O HOH 192 3.323 44.410 28.569 1.00 71.21 O HETATM 1101 O HOH 193 1.021 44.323 33.276 1.00 81.21 O HETATM 1102 N LEU A 194 11.469 36.052 15.972 1.00 0.24 N HETATM 1103 CA LEU A 194 10.286 35.713 15.132 1.00 0.07 C HETATM 1104 CB LEU A 194 10.706 35.545 13.668 1.00 0.01 C HETATM 1105 CG LEU A 194 11.865 34.582 13.379 1.00 -0.04 C HETATM 1106 CD1 LEU A 194 11.830 34.153 11.921 1.00 -0.06 C HETATM 1107 H8 LEU A 194 12.663 33.463 11.722 1.00 0.02 H HETATM 1108 H9 LEU A 194 11.925 35.039 11.276 1.00 0.02 H HETATM 1109 H10 LEU A 194 10.877 33.647 11.711 1.00 0.02 H HETATM 1110 CD2 LEU A 194 13.186 35.254 13.711 1.00 -0.06 C HETATM 1111 H11 LEU A 194 13.188 35.555 14.769 1.00 0.02 H HETATM 1112 H12 LEU A 194 13.315 36.143 13.076 1.00 0.02 H HETATM 1113 H13 LEU A 194 14.011 34.550 13.528 1.00 0.02 H HETATM 1114 H7 LEU A 194 11.754 33.690 14.012 1.00 0.03 H HETATM 1115 H5 LEU A 194 10.997 36.536 13.291 1.00 0.03 H HETATM 1116 H6 LEU A 194 9.829 35.184 13.111 1.00 0.03 H HETATM 1117 C LEU A 194 9.609 34.435 15.613 1.00 0.23 C HETATM 1118 O LEU A 194 8.393 34.287 15.492 1.00 -0.39 O HETATM 1119 N LEU A 194 10.401 33.515 16.156 1.00 -0.26 N HETATM 1120 CA LEU A 194 9.873 32.250 16.658 1.00 0.13 C HETATM 1121 CB LEU A 194 10.944 31.170 16.589 1.00 -0.02 C HETATM 1122 H16 LEU A 194 10.534 30.223 16.970 1.00 0.03 H HETATM 1123 H17 LEU A 194 11.807 31.469 17.203 1.00 0.03 H HETATM 1124 H18 LEU A 194 11.265 31.038 15.545 1.00 0.03 H HETATM 1125 C LEU A 194 9.387 32.413 18.093 1.00 0.20 C HETATM 1126 O LEU A 194 8.519 31.669 18.555 1.00 -0.39 O HETATM 1127 N LEU A 194 9.953 33.392 18.790 1.00 -0.26 N HETATM 1128 CA LEU A 194 9.582 33.663 20.172 1.00 0.16 C HETATM 1129 CB LEU A 194 10.485 34.747 20.780 1.00 0.09 C HETATM 1130 CG2 LEU A 194 10.173 34.932 22.258 1.00 -0.03 C HETATM 1131 H23 LEU A 194 10.828 35.711 22.676 1.00 0.03 H HETATM 1132 H24 LEU A 194 10.344 33.985 22.790 1.00 0.03 H HETATM 1133 H25 LEU A 194 9.122 35.235 22.376 1.00 0.03 H HETATM 1134 OG1 LEU A 194 11.857 34.361 20.635 1.00 -0.39 O HETATM 1135 H22 LEU A 194 12.056 34.244 19.713 1.00 0.21 H HETATM 1136 H21 LEU A 194 10.314 35.697 20.252 1.00 0.06 H HETATM 1137 C LEU A 194 8.130 34.131 20.240 1.00 0.21 C HETATM 1138 O LEU A 194 7.715 34.998 19.478 1.00 -0.39 O HETATM 1139 N LEU A 194 7.364 33.545 21.157 1.00 -0.26 N HETATM 1140 CA LEU A 194 5.958 33.890 21.333 1.00 0.13 C HETATM 1141 CB LEU A 194 5.091 32.668 21.047 1.00 -0.01 C HETATM 1142 CG LEU A 194 5.324 32.047 19.688 1.00 -0.04 C HETATM 1143 CD LEU A 194 4.606 30.717 19.577 1.00 -0.01 C HETATM 1144 CE LEU A 194 5.043 29.957 18.335 1.00 -0.04 C HETATM 1145 NZ LEU A 194 6.499 29.621 18.403 1.00 0.22 N HETATM 1146 H36 LEU A 194 6.767 29.118 17.571 1.00 0.20 H HETATM 1147 H37 LEU A 194 6.674 29.047 19.213 1.00 0.20 H HETATM 1148 H38 LEU A 194 7.037 30.471 18.470 1.00 0.20 H HETATM 1149 H34 LEU A 194 4.858 30.580 17.447 1.00 0.08 H HETATM 1150 H35 LEU A 194 4.461 29.026 18.258 1.00 0.08 H HETATM 1151 H32 LEU A 194 3.522 30.898 19.524 1.00 0.03 H HETATM 1152 H33 LEU A 194 4.833 30.111 20.467 1.00 0.03 H HETATM 1153 H30 LEU A 194 6.403 31.888 19.544 1.00 0.03 H HETATM 1154 H31 LEU A 194 4.946 32.727 18.910 1.00 0.03 H HETATM 1155 H28 LEU A 194 4.036 32.971 21.111 1.00 0.03 H HETATM 1156 H29 LEU A 194 5.302 31.908 21.814 1.00 0.03 H HETATM 1157 C LEU A 194 5.721 34.368 22.763 1.00 0.20 C HETATM 1158 O LEU A 194 5.814 33.594 23.709 1.00 -0.39 O HETATM 1159 N LEU A 194 5.398 35.644 22.916 1.00 -0.26 N HETATM 1160 CA LEU A 194 5.182 36.223 24.234 1.00 0.13 C HETATM 1161 CB LEU A 194 5.292 37.744 24.142 1.00 -0.02 C HETATM 1162 H41 LEU A 194 5.129 38.184 25.137 1.00 0.03 H HETATM 1163 H42 LEU A 194 4.532 38.125 23.444 1.00 0.03 H HETATM 1164 H43 LEU A 194 6.294 38.018 23.779 1.00 0.03 H HETATM 1165 C LEU A 194 3.853 35.847 24.888 1.00 0.20 C HETATM 1166 O LEU A 194 2.842 35.645 24.220 1.00 -0.39 O HETATM 1167 N LEU A 194 3.878 35.774 26.212 1.00 -0.26 N HETATM 1168 CA LEU A 194 2.696 35.470 27.001 1.00 0.13 C HETATM 1169 CB LEU A 194 2.466 33.960 27.052 1.00 -0.02 C HETATM 1170 H46 LEU A 194 1.569 33.746 27.652 1.00 0.03 H HETATM 1171 H47 LEU A 194 3.339 33.471 27.510 1.00 0.03 H HETATM 1172 H48 LEU A 194 2.325 33.576 26.031 1.00 0.03 H HETATM 1173 C LEU A 194 2.943 36.033 28.398 1.00 0.20 C HETATM 1174 O LEU A 194 4.082 36.109 28.860 1.00 -0.39 O HETATM 1175 N LEU A 194 1.872 36.447 29.058 1.00 -0.26 N HETATM 1176 CA LEU A 194 1.967 37.013 30.394 1.00 0.13 C HETATM 1177 CB LEU A 194 0.872 38.070 30.558 1.00 -0.01 C HETATM 1178 CG LEU A 194 1.101 39.078 31.660 1.00 -0.02 C HETATM 1179 CD LEU A 194 -0.040 40.089 31.720 1.00 0.06 C HETATM 1180 NE LEU A 194 -0.142 40.902 30.511 1.00 -0.27 N HETATM 1181 CZ LEU A 194 0.730 41.843 30.163 1.00 0.29 C HETATM 1182 NH2 LEU A 194 0.546 42.543 29.052 1.00 -0.28 N HETATM 1183 H60 LEU A 194 -0.269 42.352 28.452 1.00 0.26 H HETATM 1184 H61 LEU A 194 1.218 43.278 28.789 1.00 0.26 H HETATM 1185 NH1 LEU A 194 1.781 42.093 30.933 1.00 -0.28 N HETATM 1186 H58 LEU A 194 2.456 42.822 30.662 1.00 0.26 H HETATM 1187 H59 LEU A 194 1.922 41.558 31.802 1.00 0.26 H HETATM 1188 H57 LEU A 194 -0.944 40.735 29.886 1.00 0.26 H HETATM 1189 H55 LEU A 194 0.127 40.756 32.579 1.00 0.07 H HETATM 1190 H56 LEU A 194 -0.985 39.544 31.857 1.00 0.07 H HETATM 1191 H53 LEU A 194 2.044 39.611 31.470 1.00 0.03 H HETATM 1192 H54 LEU A 194 1.165 38.550 32.623 1.00 0.03 H HETATM 1193 H51 LEU A 194 -0.074 37.549 30.767 1.00 0.03 H HETATM 1194 H52 LEU A 194 0.786 38.619 29.609 1.00 0.03 H HETATM 1195 C LEU A 194 1.797 35.914 31.446 1.00 0.20 C HETATM 1196 O LEU A 194 0.973 35.016 31.280 1.00 -0.39 O HETATM 1197 N LEU A 194 2.581 35.979 32.520 1.00 -0.26 N HETATM 1198 CA LEU A 194 2.471 34.988 33.590 1.00 0.13 C HETATM 1199 CB LEU A 194 3.850 34.467 34.002 1.00 -0.01 C HETATM 1200 CG LEU A 194 3.782 33.136 34.757 1.00 -0.04 C HETATM 1201 CD LEU A 194 5.113 32.707 35.375 1.00 -0.01 C HETATM 1202 CE LEU A 194 6.219 32.582 34.334 1.00 -0.03 C HETATM 1203 NZ LEU A 194 7.317 31.662 34.806 1.00 0.24 N HETATM 1204 CM1 LEU A 194 8.121 31.206 33.640 1.00 -0.04 C HETATM 1205 H72 LEU A 194 8.921 30.535 33.986 1.00 0.08 H HETATM 1206 H73 LEU A 194 8.565 32.078 33.137 1.00 0.08 H HETATM 1207 H74 LEU A 194 7.471 30.668 32.934 1.00 0.08 H HETATM 1208 CM2 LEU A 194 6.919 30.404 35.495 1.00 -0.04 C HETATM 1209 H75 LEU A 194 6.314 30.647 36.381 1.00 0.08 H HETATM 1210 H76 LEU A 194 7.820 29.855 35.806 1.00 0.08 H HETATM 1211 H77 LEU A 194 6.329 29.780 34.807 1.00 0.08 H HETATM 1212 CM3 LEU A 194 8.230 32.404 35.727 1.00 -0.04 C HETATM 1213 H78 LEU A 194 8.547 33.344 35.251 1.00 0.08 H HETATM 1214 H79 LEU A 194 9.114 31.786 35.943 1.00 0.08 H HETATM 1215 H80 LEU A 194 7.701 32.629 36.665 1.00 0.08 H HETATM 1216 H70 LEU A 194 6.644 33.578 34.142 1.00 0.08 H HETATM 1217 H71 LEU A 194 5.791 32.181 33.404 1.00 0.08 H HETATM 1218 H68 LEU A 194 4.977 31.732 35.866 1.00 0.03 H HETATM 1219 H69 LEU A 194 5.414 33.456 36.123 1.00 0.03 H HETATM 1220 H66 LEU A 194 3.459 32.355 34.053 1.00 0.03 H HETATM 1221 H67 LEU A 194 3.041 33.233 35.564 1.00 0.03 H HETATM 1222 H64 LEU A 194 4.328 35.215 34.651 1.00 0.03 H HETATM 1223 H65 LEU A 194 4.457 34.326 33.096 1.00 0.03 H HETATM 1224 C LEU A 194 1.789 35.638 34.793 1.00 0.20 C HETATM 1225 O LEU A 194 2.353 36.526 35.431 1.00 -0.39 O HETATM 1226 N LEU A 194 0.578 35.180 35.097 1.00 -0.26 N HETATM 1227 CA LEU A 194 -0.210 35.715 36.206 1.00 0.17 C HETATM 1228 CB LEU A 194 -1.681 35.324 36.033 1.00 0.09 C HETATM 1229 OG LEU A 194 -1.841 33.915 36.019 1.00 -0.39 O HETATM 1230 H85 LEU A 194 -2.761 33.703 35.911 1.00 0.21 H HETATM 1231 H83 LEU A 194 -2.052 35.736 35.083 1.00 0.06 H HETATM 1232 H84 LEU A 194 -2.264 35.742 36.867 1.00 0.06 H HETATM 1233 C LEU A 194 0.277 35.262 37.583 1.00 0.26 C HETATM 1234 O LEU A 194 1.298 34.587 37.706 1.00 -0.37 O HETATM 1235 O1 LEU A 194 -0.415 35.604 38.666 1.00 -0.29 O HETATM 1236 H86 LEU A 194 0.137 36.116 39.245 1.00 0.25 H HETATM 1237 H82 LEU A 194 -0.134 36.812 36.169 1.00 0.08 H HETATM 1238 H81 LEU A 194 0.191 34.441 34.545 1.00 0.19 H HETATM 1239 H63 LEU A 194 1.861 34.143 33.237 1.00 0.08 H HETATM 1240 H62 LEU A 194 3.254 36.715 32.596 1.00 0.19 H HETATM 1241 H50 LEU A 194 2.953 37.485 30.522 1.00 0.08 H HETATM 1242 H49 LEU A 194 0.974 36.368 28.626 1.00 0.19 H HETATM 1243 H45 LEU A 194 1.814 35.953 26.556 1.00 0.08 H HETATM 1244 H44 LEU A 194 4.744 35.934 26.686 1.00 0.19 H HETATM 1245 H40 LEU A 194 5.985 35.855 24.890 1.00 0.08 H HETATM 1246 H39 LEU A 194 5.300 36.223 22.107 1.00 0.19 H HETATM 1247 H27 LEU A 194 5.692 34.696 20.633 1.00 0.08 H HETATM 1248 H26 LEU A 194 7.766 32.844 21.746 1.00 0.19 H HETATM 1249 H20 LEU A 194 9.691 32.737 20.756 1.00 0.08 H HETATM 1250 H19 LEU A 194 10.653 33.958 18.354 1.00 0.19 H HETATM 1251 H15 LEU A 194 9.023 31.947 16.029 1.00 0.08 H HETATM 1252 H14 LEU A 194 11.383 33.694 16.222 1.00 0.19 H HETATM 1253 H4 LEU A 194 9.563 36.539 15.201 1.00 0.11 H HETATM 1254 H1 LEU A 194 11.893 36.900 15.629 1.00 0.20 H HETATM 1255 H2 LEU A 194 12.139 35.300 15.928 1.00 0.20 H HETATM 1256 H3 LEU A 194 11.176 36.186 16.927 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1102 1103 1254 1255 1256 CONECT 1103 1102 1104 1117 1253 CONECT 1104 1103 1105 1115 1116 CONECT 1105 1104 1106 1110 1114 CONECT 1106 1105 1107 1108 1109 CONECT 1107 1106 CONECT 1108 1106 CONECT 1109 1106 CONECT 1110 1105 1111 1112 1113 CONECT 1111 1110 CONECT 1112 1110 CONECT 1113 1110 CONECT 1114 1105 CONECT 1115 1104 CONECT 1116 1104 CONECT 1117 1103 1118 1119 CONECT 1118 1117 CONECT 1119 1117 1120 1252 CONECT 1120 1119 1121 1125 1251 CONECT 1121 1120 1122 1123 1124 CONECT 1122 1121 CONECT 1123 1121 CONECT 1124 1121 CONECT 1125 1120 1126 1127 CONECT 1126 1125 CONECT 1127 1125 1128 1250 CONECT 1128 1127 1129 1137 1249 CONECT 1129 1128 1130 1134 1136 CONECT 1130 1129 1131 1132 1133 CONECT 1131 1130 CONECT 1132 1130 CONECT 1133 1130 CONECT 1134 1129 1135 CONECT 1135 1134 CONECT 1136 1129 CONECT 1137 1128 1138 1139 CONECT 1138 1137 CONECT 1139 1137 1140 1248 CONECT 1140 1139 1141 1157 1247 CONECT 1141 1140 1142 1155 1156 CONECT 1142 1141 1143 1153 1154 CONECT 1143 1142 1144 1151 1152 CONECT 1144 1143 1145 1149 1150 CONECT 1145 1144 1146 1147 1148 CONECT 1146 1145 CONECT 1147 1145 CONECT 1148 1145 CONECT 1149 1144 CONECT 1150 1144 CONECT 1151 1143 CONECT 1152 1143 CONECT 1153 1142 CONECT 1154 1142 CONECT 1155 1141 CONECT 1156 1141 CONECT 1157 1140 1158 1159 CONECT 1158 1157 CONECT 1159 1157 1160 1246 CONECT 1160 1159 1161 1165 1245 CONECT 1161 1160 1162 1163 1164 CONECT 1162 1161 CONECT 1163 1161 CONECT 1164 1161 CONECT 1165 1160 1166 1167 CONECT 1166 1165 CONECT 1167 1165 1168 1244 CONECT 1168 1167 1169 1173 1243 CONECT 1169 1168 1170 1171 1172 CONECT 1170 1169 CONECT 1171 1169 CONECT 1172 1169 CONECT 1173 1168 1174 1175 CONECT 1174 1173 CONECT 1175 1173 1176 1242 CONECT 1176 1175 1177 1195 1241 CONECT 1177 1176 1178 1193 1194 CONECT 1178 1177 1179 1191 1192 CONECT 1179 1178 1180 1189 1190 CONECT 1180 1179 1181 1188 CONECT 1181 1180 1182 1185 CONECT 1182 1181 1183 1184 CONECT 1183 1182 CONECT 1184 1182 CONECT 1185 1181 1186 1187 CONECT 1186 1185 CONECT 1187 1185 CONECT 1188 1180 CONECT 1189 1179 CONECT 1190 1179 CONECT 1191 1178 CONECT 1192 1178 CONECT 1193 1177 CONECT 1194 1177 CONECT 1195 1176 1196 1197 CONECT 1196 1195 CONECT 1197 1195 1198 1240 CONECT 1198 1197 1199 1224 1239 CONECT 1199 1198 1200 1222 1223 CONECT 1200 1199 1201 1220 1221 CONECT 1201 1200 1202 1218 1219 CONECT 1202 1201 1203 1216 1217 CONECT 1203 1202 1204 1208 1212 CONECT 1204 1203 1205 1206 1207 CONECT 1205 1204 CONECT 1206 1204 CONECT 1207 1204 CONECT 1208 1203 1209 1210 1211 CONECT 1209 1208 CONECT 1210 1208 CONECT 1211 1208 CONECT 1212 1203 1213 1214 1215 CONECT 1213 1212 CONECT 1214 1212 CONECT 1215 1212 CONECT 1216 1202 CONECT 1217 1202 CONECT 1218 1201 CONECT 1219 1201 CONECT 1220 1200 CONECT 1221 1200 CONECT 1222 1199 CONECT 1223 1199 CONECT 1224 1198 1225 1226 CONECT 1225 1224 CONECT 1226 1224 1227 1238 CONECT 1227 1226 1228 1233 1237 CONECT 1228 1227 1229 1231 1232 CONECT 1229 1228 1230 CONECT 1230 1229 CONECT 1231 1228 CONECT 1232 1228 CONECT 1233 1227 1234 1235 CONECT 1234 1233 CONECT 1235 1233 1236 CONECT 1236 1235 CONECT 1237 1227 CONECT 1238 1226 CONECT 1239 1198 CONECT 1240 1197 CONECT 1241 1176 CONECT 1242 1175 CONECT 1243 1168 CONECT 1244 1167 CONECT 1245 1160 CONECT 1246 1159 CONECT 1247 1140 CONECT 1248 1139 CONECT 1249 1128 CONECT 1250 1127 CONECT 1251 1120 CONECT 1252 1119 CONECT 1253 1103 CONECT 1254 1102 CONECT 1255 1102 CONECT 1256 1102 MASTER 0 0 0 0 0 0 0 0 1255 1 159 4 END
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18-mer
5ous
RCSB PDB
PDBbind
18-mer
5oua
RCSB PDB
PDBbind
18-mer
5ol3
RCSB PDB
PDBbind
18-mer
5ok3
RCSB PDB
PDBbind
18-mer
5o0e
RCSB PDB
PDBbind
18-mer
5nw8
RCSB PDB
PDBbind
18-mer
6ema
RCSB PDB
PDBbind
18-mer
6sen
RCSB PDB
PDBbind
18-mer
6seo
RCSB PDB
PDBbind
18-mer
Entry Information
PDB ID
1pdq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Polycomb protein
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd=5uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
(2003) Genes Dev. Vol. 17: pp. 1870-1881
Ligand Properties
Formula
C
4
3
H
8
6
N
1
4
O
1
2
Molecular Weight
991.230
Exact Mass
990.655
No. of atoms
155
No. of bonds
154
Polar Surface Area
431.85
LOGP Value
-3.94 (
Computed with XLOGP3
)
-4.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 26
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])C)CCCC[NH3+])C)C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C43H82N14O12/c1-23(2)21-28(45)37(63)50-26(5)36(62)56-33(27(6)59)41(67)54-29(15-10-12-18-44)38(64)51-24(3)34(60)49-25(4)35(61)52-31(17-14-19-48-43(46)47)39(65)53-30(16-11-13-20-57(7,8)9)40(66)55-32(22-58)42(68)69/h23-33,58-59H,10-22,44-45H2,1-9H3,(H12-,46,47,48,49,50,51,52,53,54,55,56,60,61,62,63,64,65,66,67,68,69)/p+4/t24-,25-,26-,27+,28-,29-,30-,31-,32-,33-/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):
P26017
P84247
Entrez Gene ID
NCBI Entrez Gene ID:
40358
396233
427887
ASD
Information of known allosteric effects of PDB entries
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