Browse entries in the PDBbind-CN Database
HEADER 2KE1_COMPLEX COMPND 2KE1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 66 GLY ALA MET ALA GLN LYS ASN GLU ASP GLU CYS ALA VAL SEQRES 2 A 66 CYS ARG ASP GLY GLY GLU LEU ILE CYS CYS ASP GLY CYS SEQRES 3 A 66 PRO ARG ALA PHE HIS LEU ALA CYS LEU SER PRO PRO LEU SEQRES 4 A 66 ARG GLU ILE PRO SER GLY THR TRP ARG CYS SER SER CYS SEQRES 5 A 66 LEU GLN ALA THR VAL GLN GLU VAL GLN PRO ARG ALA GLU SEQRES 6 A 66 GLU HET ZN A 1 1 HET ZN A 2 1 HET ALA A 69 171 ATOM 1 N GLY A 289 -4.278 -22.765 6.077 1.00 7.93 N ATOM 2 CA GLY A 289 -2.956 -22.352 5.551 1.00 7.32 C ATOM 3 C GLY A 289 -2.484 -21.057 6.169 1.00 6.42 C ATOM 4 O GLY A 289 -3.296 -20.246 6.617 1.00 6.32 O ATOM 5 HA3 GLY A 289 -3.031 -22.221 4.472 1.00 0.00 H ATOM 6 HA2 GLY A 289 -2.229 -23.134 5.771 1.00 0.00 H ATOM 7 HN3 GLY A 289 -4.980 -22.027 5.865 1.00 0.00 H ATOM 8 HN2 GLY A 289 -4.214 -22.899 7.106 1.00 0.00 H ATOM 9 HN1 GLY A 289 -4.565 -23.658 5.627 1.00 0.00 H ATOM 10 N ALA A 290 -1.175 -20.857 6.191 1.00 6.11 N ATOM 11 CA ALA A 290 -0.599 -19.654 6.768 1.00 5.56 C ATOM 12 C ALA A 290 -0.586 -18.538 5.739 1.00 4.65 C ATOM 13 O ALA A 290 -0.228 -18.756 4.579 1.00 4.88 O ATOM 14 CB ALA A 290 0.810 -19.924 7.276 1.00 6.29 C ATOM 15 HA ALA A 290 -1.213 -19.346 7.614 1.00 0.00 H ATOM 16 HB1 ALA A 290 0.777 -20.701 8.040 1.00 0.00 H ATOM 17 HB2 ALA A 290 1.437 -20.253 6.447 1.00 0.00 H ATOM 18 HB3 ALA A 290 1.222 -19.010 7.704 1.00 0.00 H ATOM 19 H ALA A 290 -0.544 -21.578 5.786 1.00 0.00 H ATOM 20 N MET A 291 -0.977 -17.346 6.160 1.00 4.01 N ATOM 21 CA MET A 291 -1.006 -16.201 5.264 1.00 3.50 C ATOM 22 C MET A 291 0.380 -15.592 5.136 1.00 2.71 C ATOM 23 O MET A 291 0.652 -14.509 5.659 1.00 3.00 O ATOM 24 CB MET A 291 -2.010 -15.151 5.746 1.00 4.13 C ATOM 25 CG MET A 291 -3.458 -15.597 5.631 1.00 4.78 C ATOM 26 SD MET A 291 -3.924 -16.017 3.941 1.00 5.58 S ATOM 27 CE MET A 291 -3.598 -14.467 3.099 1.00 6.45 C ATOM 28 HA MET A 291 -1.326 -16.548 4.282 1.00 0.00 H ATOM 29 HB2 MET A 291 -1.800 -14.927 6.792 1.00 0.00 H ATOM 30 HB3 MET A 291 -1.879 -14.248 5.149 1.00 0.00 H ATOM 31 HG2 MET A 291 -4.101 -14.789 5.980 1.00 0.00 H ATOM 32 HG3 MET A 291 -3.604 -16.474 6.262 1.00 0.00 H ATOM 33 HE1 MET A 291 -4.213 -13.681 3.537 1.00 0.00 H ATOM 34 HE2 MET A 291 -2.544 -14.210 3.209 1.00 0.00 H ATOM 35 HE3 MET A 291 -3.840 -14.572 2.041 1.00 0.00 H ATOM 36 H MET A 291 -1.269 -17.226 7.151 1.00 0.00 H ATOM 37 N ALA A 292 1.254 -16.304 4.441 1.00 2.40 N ATOM 38 CA ALA A 292 2.614 -15.843 4.216 1.00 2.26 C ATOM 39 C ALA A 292 2.637 -14.834 3.079 1.00 1.90 C ATOM 40 O ALA A 292 2.888 -15.184 1.923 1.00 2.49 O ATOM 41 CB ALA A 292 3.532 -17.021 3.916 1.00 3.16 C ATOM 42 HA ALA A 292 2.978 -15.355 5.120 1.00 0.00 H ATOM 43 HB1 ALA A 292 3.525 -17.710 4.761 1.00 0.00 H ATOM 44 HB2 ALA A 292 3.179 -17.537 3.023 1.00 0.00 H ATOM 45 HB3 ALA A 292 4.546 -16.657 3.750 1.00 0.00 H ATOM 46 H ALA A 292 0.959 -17.219 4.045 1.00 0.00 H ATOM 47 N GLN A 293 2.353 -13.585 3.417 1.00 1.56 N ATOM 48 CA GLN A 293 2.261 -12.521 2.428 1.00 1.58 C ATOM 49 C GLN A 293 3.632 -12.138 1.888 1.00 1.07 C ATOM 50 O GLN A 293 4.669 -12.498 2.454 1.00 1.32 O ATOM 51 CB GLN A 293 1.576 -11.291 3.028 1.00 2.27 C ATOM 52 CG GLN A 293 0.093 -11.497 3.296 1.00 3.06 C ATOM 53 CD GLN A 293 -0.683 -11.799 2.028 1.00 4.01 C ATOM 54 OE1 GLN A 293 -0.823 -12.957 1.630 1.00 4.60 O ATOM 55 NE2 GLN A 293 -1.197 -10.762 1.383 1.00 4.62 N ATOM 56 HA GLN A 293 1.663 -12.897 1.598 1.00 0.00 H ATOM 57 HB2 GLN A 293 2.067 -11.047 3.970 1.00 0.00 H ATOM 58 HB3 GLN A 293 1.690 -10.459 2.334 1.00 0.00 H ATOM 59 HG2 GLN A 293 -0.026 -12.331 3.988 1.00 0.00 H ATOM 60 HG3 GLN A 293 -0.311 -10.591 3.748 1.00 0.00 H ATOM 61 HE22 GLN A 293 -1.057 -9.799 1.751 1.00 0.00 H ATOM 62 HE21 GLN A 293 -1.740 -10.911 0.509 1.00 0.00 H ATOM 63 H GLN A 293 2.191 -13.358 4.419 1.00 0.00 H ATOM 64 N LYS A 294 3.619 -11.385 0.800 1.00 0.91 N ATOM 65 CA LYS A 294 4.830 -10.934 0.146 1.00 0.64 C ATOM 66 C LYS A 294 4.768 -9.428 -0.015 1.00 0.53 C ATOM 67 O LYS A 294 3.704 -8.868 -0.259 1.00 0.75 O ATOM 68 CB LYS A 294 4.993 -11.623 -1.215 1.00 1.16 C ATOM 69 CG LYS A 294 6.039 -10.991 -2.121 1.00 1.84 C ATOM 70 CD LYS A 294 7.454 -11.168 -1.589 1.00 1.95 C ATOM 71 CE LYS A 294 8.469 -10.543 -2.531 1.00 2.86 C ATOM 72 NZ LYS A 294 9.863 -10.669 -2.034 1.00 3.40 N ATOM 73 HA LYS A 294 5.696 -11.196 0.754 1.00 0.00 H ATOM 74 HB2 LYS A 294 5.276 -12.661 -1.040 1.00 0.00 H ATOM 75 HB3 LYS A 294 4.033 -11.592 -1.730 1.00 0.00 H ATOM 76 HG2 LYS A 294 5.975 -11.454 -3.106 1.00 0.00 H ATOM 77 HG3 LYS A 294 5.829 -9.925 -2.208 1.00 0.00 H ATOM 78 HD2 LYS A 294 7.531 -10.690 -0.613 1.00 0.00 H ATOM 79 HD3 LYS A 294 7.668 -12.232 -1.489 1.00 0.00 H ATOM 80 HE2 LYS A 294 8.233 -9.485 -2.646 1.00 0.00 H ATOM 81 HE3 LYS A 294 8.397 -11.038 -3.500 1.00 0.00 H ATOM 82 HZ1 LYS A 294 9.946 -10.193 -1.113 1.00 0.00 H ATOM 83 HZ2 LYS A 294 10.102 -11.676 -1.928 1.00 0.00 H ATOM 84 HZ3 LYS A 294 10.514 -10.226 -2.714 1.00 0.00 H ATOM 85 H LYS A 294 2.701 -11.106 0.398 1.00 0.00 H ATOM 86 N ASN A 295 5.899 -8.779 0.149 1.00 0.40 N ATOM 87 CA ASN A 295 5.978 -7.338 0.049 1.00 0.28 C ATOM 88 C ASN A 295 7.094 -6.954 -0.896 1.00 0.27 C ATOM 89 O ASN A 295 8.183 -7.529 -0.848 1.00 0.33 O ATOM 90 CB ASN A 295 6.223 -6.734 1.428 1.00 0.26 C ATOM 91 CG ASN A 295 7.120 -7.604 2.292 1.00 0.37 C ATOM 92 OD1 ASN A 295 8.341 -7.478 2.260 1.00 1.07 O ATOM 93 ND2 ASN A 295 6.522 -8.503 3.061 1.00 1.25 N ATOM 94 HA ASN A 295 5.036 -6.952 -0.340 1.00 0.00 H ATOM 95 HB2 ASN A 295 6.695 -5.759 1.304 1.00 0.00 H ATOM 96 HB3 ASN A 295 5.264 -6.611 1.932 1.00 0.00 H ATOM 97 HD22 ASN A 295 5.485 -8.580 3.061 1.00 0.00 H ATOM 98 HD21 ASN A 295 7.090 -9.131 3.664 1.00 0.00 H ATOM 99 H ASN A 295 6.764 -9.318 0.357 1.00 0.00 H ATOM 100 N GLU A 296 6.806 -6.009 -1.768 1.00 0.26 N ATOM 101 CA GLU A 296 7.789 -5.528 -2.721 1.00 0.31 C ATOM 102 C GLU A 296 8.857 -4.714 -2.018 1.00 0.23 C ATOM 103 O GLU A 296 8.556 -3.897 -1.150 1.00 0.31 O ATOM 104 CB GLU A 296 7.137 -4.682 -3.815 1.00 0.47 C ATOM 105 CG GLU A 296 6.126 -5.439 -4.650 1.00 0.63 C ATOM 106 CD GLU A 296 5.879 -4.779 -5.987 1.00 0.83 C ATOM 107 OE1 GLU A 296 5.144 -3.775 -6.044 1.00 1.11 O ATOM 108 OE2 GLU A 296 6.443 -5.258 -6.992 1.00 0.98 O ATOM 109 HA GLU A 296 8.248 -6.400 -3.186 1.00 0.00 H ATOM 110 HB2 GLU A 296 6.632 -3.839 -3.343 1.00 0.00 H ATOM 111 HB3 GLU A 296 7.920 -4.311 -4.476 1.00 0.00 H ATOM 112 HG2 GLU A 296 6.498 -6.449 -4.821 1.00 0.00 H ATOM 113 HG3 GLU A 296 5.184 -5.487 -4.103 1.00 0.00 H ATOM 114 H GLU A 296 5.851 -5.598 -1.773 1.00 0.00 H ATOM 115 N ASP A 297 10.103 -4.949 -2.391 1.00 0.22 N ATOM 116 CA ASP A 297 11.219 -4.200 -1.834 1.00 0.20 C ATOM 117 C ASP A 297 11.427 -2.937 -2.646 1.00 0.19 C ATOM 118 O ASP A 297 12.326 -2.139 -2.365 1.00 0.30 O ATOM 119 CB ASP A 297 12.505 -5.028 -1.836 1.00 0.28 C ATOM 120 CG ASP A 297 12.334 -6.405 -1.225 1.00 0.37 C ATOM 121 OD1 ASP A 297 12.017 -6.502 -0.018 1.00 0.45 O ATOM 122 OD2 ASP A 297 12.522 -7.405 -1.955 1.00 0.49 O ATOM 123 HA ASP A 297 10.982 -3.949 -0.800 1.00 0.00 H ATOM 124 HB2 ASP A 297 12.839 -5.146 -2.867 1.00 0.00 H ATOM 125 HB3 ASP A 297 13.264 -4.490 -1.269 1.00 0.00 H ATOM 126 H ASP A 297 10.290 -5.687 -3.100 1.00 0.00 H ATOM 127 N GLU A 298 10.575 -2.759 -3.650 1.00 0.21 N ATOM 128 CA GLU A 298 10.614 -1.592 -4.506 1.00 0.25 C ATOM 129 C GLU A 298 9.236 -0.941 -4.501 1.00 0.25 C ATOM 130 O GLU A 298 8.217 -1.627 -4.551 1.00 0.40 O ATOM 131 CB GLU A 298 10.967 -1.966 -5.942 1.00 0.42 C ATOM 132 CG GLU A 298 11.924 -3.143 -6.097 1.00 0.89 C ATOM 133 CD GLU A 298 13.338 -2.839 -5.646 1.00 1.81 C ATOM 134 OE1 GLU A 298 14.002 -1.985 -6.278 1.00 2.25 O ATOM 135 OE2 GLU A 298 13.812 -3.479 -4.684 1.00 2.53 O ATOM 136 HA GLU A 298 11.377 -0.912 -4.128 1.00 0.00 H ATOM 137 HB2 GLU A 298 10.042 -2.214 -6.462 1.00 0.00 H ATOM 138 HB3 GLU A 298 11.425 -1.096 -6.413 1.00 0.00 H ATOM 139 HG2 GLU A 298 11.545 -3.976 -5.505 1.00 0.00 H ATOM 140 HG3 GLU A 298 11.951 -3.429 -7.148 1.00 0.00 H ATOM 141 H GLU A 298 9.853 -3.486 -3.828 1.00 0.00 H ATOM 142 N CYS A 299 9.213 0.374 -4.432 1.00 0.18 N ATOM 143 CA CYS A 299 7.966 1.127 -4.437 1.00 0.17 C ATOM 144 C CYS A 299 7.240 0.989 -5.774 1.00 0.18 C ATOM 145 O CYS A 299 7.855 1.046 -6.830 1.00 0.21 O ATOM 146 CB CYS A 299 8.264 2.595 -4.157 1.00 0.17 C ATOM 147 SG CYS A 299 6.831 3.707 -4.317 1.00 0.17 S ATOM 148 HA CYS A 299 7.315 0.725 -3.660 1.00 0.00 H ATOM 149 HB2 CYS A 299 9.031 2.926 -4.858 1.00 0.00 H ATOM 150 HB3 CYS A 299 8.645 2.676 -3.139 1.00 0.00 H ATOM 151 HG CYS A 299 7.222 5.001 -4.041 1.00 0.00 H ATOM 152 H CYS A 299 10.113 0.891 -4.372 1.00 0.00 H ATOM 153 N ALA A 300 5.922 0.833 -5.716 1.00 0.21 N ATOM 154 CA ALA A 300 5.093 0.711 -6.918 1.00 0.26 C ATOM 155 C ALA A 300 5.087 2.007 -7.729 1.00 0.26 C ATOM 156 O ALA A 300 4.684 2.022 -8.889 1.00 0.31 O ATOM 157 CB ALA A 300 3.675 0.325 -6.537 1.00 0.31 C ATOM 158 HA ALA A 300 5.523 -0.071 -7.543 1.00 0.00 H ATOM 159 HB1 ALA A 300 3.688 -0.630 -6.013 1.00 0.00 H ATOM 160 HB2 ALA A 300 3.253 1.092 -5.887 1.00 0.00 H ATOM 161 HB3 ALA A 300 3.069 0.237 -7.439 1.00 0.00 H ATOM 162 H ALA A 300 5.462 0.796 -4.784 1.00 0.00 H ATOM 163 N VAL A 301 5.529 3.092 -7.108 1.00 0.22 N ATOM 164 CA VAL A 301 5.580 4.385 -7.774 1.00 0.23 C ATOM 165 C VAL A 301 6.831 4.519 -8.649 1.00 0.25 C ATOM 166 O VAL A 301 6.728 4.671 -9.862 1.00 0.31 O ATOM 167 CB VAL A 301 5.526 5.547 -6.754 1.00 0.20 C ATOM 168 CG1 VAL A 301 5.700 6.892 -7.445 1.00 0.22 C ATOM 169 CG2 VAL A 301 4.218 5.516 -5.973 1.00 0.22 C ATOM 170 HA VAL A 301 4.702 4.444 -8.417 1.00 0.00 H ATOM 171 HB VAL A 301 6.352 5.416 -6.055 1.00 0.00 H ATOM 172 HG11 VAL A 301 6.665 6.917 -7.951 1.00 0.00 H ATOM 173 HG12 VAL A 301 4.902 7.030 -8.174 1.00 0.00 H ATOM 174 HG13 VAL A 301 5.658 7.689 -6.702 1.00 0.00 H ATOM 175 HG21 VAL A 301 3.381 5.614 -6.664 1.00 0.00 H ATOM 176 HG22 VAL A 301 4.139 4.571 -5.436 1.00 0.00 H ATOM 177 HG23 VAL A 301 4.201 6.342 -5.262 1.00 0.00 H ATOM 178 H VAL A 301 5.847 3.017 -6.121 1.00 0.00 H ATOM 179 N CYS A 302 8.006 4.451 -8.037 1.00 0.25 N ATOM 180 CA CYS A 302 9.256 4.698 -8.762 1.00 0.31 C ATOM 181 C CYS A 302 10.195 3.489 -8.737 1.00 0.29 C ATOM 182 O CYS A 302 11.332 3.566 -9.202 1.00 0.33 O ATOM 183 CB CYS A 302 9.953 5.918 -8.163 1.00 0.34 C ATOM 184 SG CYS A 302 10.018 5.893 -6.342 1.00 0.29 S ATOM 185 HA CYS A 302 9.005 4.882 -9.807 1.00 0.00 H ATOM 186 HB2 CYS A 302 9.415 6.813 -8.478 1.00 0.00 H ATOM 187 HB3 CYS A 302 10.973 5.956 -8.545 1.00 0.00 H ATOM 188 HG CYS A 302 10.661 7.027 -5.891 1.00 0.00 H ATOM 189 H CYS A 302 8.041 4.218 -7.024 1.00 0.00 H ATOM 190 N ARG A 303 9.698 2.373 -8.206 1.00 0.27 N ATOM 191 CA ARG A 303 10.474 1.134 -8.062 1.00 0.30 C ATOM 192 C ARG A 303 11.784 1.374 -7.302 1.00 0.26 C ATOM 193 O ARG A 303 12.804 0.746 -7.584 1.00 0.29 O ATOM 194 CB ARG A 303 10.750 0.483 -9.427 1.00 0.41 C ATOM 195 CG ARG A 303 9.497 0.247 -10.268 1.00 0.54 C ATOM 196 CD ARG A 303 8.411 -0.495 -9.497 1.00 0.66 C ATOM 197 NE ARG A 303 8.827 -1.826 -9.045 1.00 1.24 N ATOM 198 CZ ARG A 303 8.049 -2.657 -8.343 1.00 1.48 C ATOM 199 NH1 ARG A 303 6.781 -2.348 -8.097 1.00 1.13 N ATOM 200 NH2 ARG A 303 8.523 -3.823 -7.927 1.00 2.38 N ATOM 201 HA ARG A 303 9.868 0.444 -7.475 1.00 0.00 H ATOM 202 HB2 ARG A 303 11.422 1.133 -9.987 1.00 0.00 H ATOM 203 HB3 ARG A 303 11.235 -0.478 -9.257 1.00 0.00 H ATOM 204 HG2 ARG A 303 9.103 1.212 -10.588 1.00 0.00 H ATOM 205 HG3 ARG A 303 9.769 -0.342 -11.144 1.00 0.00 H ATOM 206 HD2 ARG A 303 7.541 -0.605 -10.144 1.00 0.00 H ATOM 207 HD3 ARG A 303 8.140 0.098 -8.624 1.00 0.00 H ATOM 208 HE ARG A 303 9.788 -2.144 -9.285 1.00 0.00 H ATOM 209 HH12 ARG A 303 6.183 -3.000 -7.550 1.00 0.00 H ATOM 210 HH11 ARG A 303 6.386 -1.454 -8.451 1.00 0.00 H ATOM 211 HH22 ARG A 303 7.915 -4.467 -7.381 1.00 0.00 H ATOM 212 HH21 ARG A 303 9.503 -4.094 -8.146 1.00 0.00 H ATOM 213 H ARG A 303 8.711 2.379 -7.877 1.00 0.00 H ATOM 214 N ASP A 304 11.738 2.285 -6.340 1.00 0.24 N ATOM 215 CA ASP A 304 12.886 2.576 -5.485 1.00 0.27 C ATOM 216 C ASP A 304 12.679 1.911 -4.126 1.00 0.24 C ATOM 217 O ASP A 304 11.567 1.481 -3.816 1.00 0.31 O ATOM 218 CB ASP A 304 13.048 4.093 -5.349 1.00 0.34 C ATOM 219 CG ASP A 304 14.202 4.502 -4.455 1.00 0.77 C ATOM 220 OD1 ASP A 304 15.246 3.829 -4.490 1.00 1.21 O ATOM 221 OD2 ASP A 304 14.068 5.495 -3.713 1.00 1.54 O ATOM 222 HA ASP A 304 13.800 2.177 -5.926 1.00 0.00 H ATOM 223 HB2 ASP A 304 13.215 4.512 -6.341 1.00 0.00 H ATOM 224 HB3 ASP A 304 12.127 4.502 -4.933 1.00 0.00 H ATOM 225 H ASP A 304 10.854 2.811 -6.189 1.00 0.00 H ATOM 226 N GLY A 305 13.727 1.825 -3.319 1.00 0.27 N ATOM 227 CA GLY A 305 13.629 1.112 -2.063 1.00 0.31 C ATOM 228 C GLY A 305 13.659 2.065 -0.895 1.00 0.35 C ATOM 229 O GLY A 305 13.507 3.263 -1.086 1.00 0.70 O ATOM 230 HA3 GLY A 305 14.467 0.420 -1.980 1.00 0.00 H ATOM 231 HA2 GLY A 305 12.694 0.553 -2.043 1.00 0.00 H ATOM 232 H GLY A 305 14.626 2.273 -3.590 1.00 0.00 H ATOM 233 N GLY A 306 13.854 1.555 0.307 1.00 0.33 N ATOM 234 CA GLY A 306 13.965 2.426 1.462 1.00 0.35 C ATOM 235 C GLY A 306 12.726 2.410 2.325 1.00 0.34 C ATOM 236 O GLY A 306 12.282 1.346 2.760 1.00 0.40 O ATOM 237 HA3 GLY A 306 14.136 3.445 1.115 1.00 0.00 H ATOM 238 HA2 GLY A 306 14.814 2.101 2.064 1.00 0.00 H ATOM 239 H GLY A 306 13.928 0.525 0.426 1.00 0.00 H ATOM 240 N GLU A 307 12.174 3.591 2.578 1.00 0.37 N ATOM 241 CA GLU A 307 10.997 3.727 3.424 1.00 0.42 C ATOM 242 C GLU A 307 9.741 3.297 2.674 1.00 0.33 C ATOM 243 O GLU A 307 9.063 4.109 2.041 1.00 0.39 O ATOM 244 CB GLU A 307 10.853 5.171 3.904 1.00 0.59 C ATOM 245 CG GLU A 307 12.132 5.748 4.488 1.00 0.74 C ATOM 246 CD GLU A 307 12.835 6.700 3.539 1.00 1.17 C ATOM 247 OE1 GLU A 307 13.339 6.246 2.487 1.00 1.91 O ATOM 248 OE2 GLU A 307 12.884 7.911 3.854 1.00 1.51 O ATOM 249 HA GLU A 307 11.122 3.077 4.290 1.00 0.00 H ATOM 250 HB2 GLU A 307 10.552 5.788 3.057 1.00 0.00 H ATOM 251 HB3 GLU A 307 10.078 5.204 4.670 1.00 0.00 H ATOM 252 HG2 GLU A 307 11.885 6.287 5.403 1.00 0.00 H ATOM 253 HG3 GLU A 307 12.809 4.927 4.723 1.00 0.00 H ATOM 254 H GLU A 307 12.595 4.445 2.159 1.00 0.00 H ATOM 255 N LEU A 308 9.443 2.013 2.759 1.00 0.24 N ATOM 256 CA LEU A 308 8.315 1.438 2.048 1.00 0.16 C ATOM 257 C LEU A 308 7.145 1.166 2.982 1.00 0.15 C ATOM 258 O LEU A 308 7.326 0.849 4.155 1.00 0.21 O ATOM 259 CB LEU A 308 8.728 0.136 1.377 1.00 0.16 C ATOM 260 CG LEU A 308 9.825 0.251 0.325 1.00 0.15 C ATOM 261 CD1 LEU A 308 10.339 -1.127 -0.035 1.00 0.18 C ATOM 262 CD2 LEU A 308 9.307 0.963 -0.915 1.00 0.14 C ATOM 263 HA LEU A 308 7.998 2.162 1.297 1.00 0.00 H ATOM 264 HB2 LEU A 308 9.079 -0.544 2.153 1.00 0.00 H ATOM 265 HB3 LEU A 308 7.846 -0.287 0.896 1.00 0.00 H ATOM 266 HG LEU A 308 10.645 0.839 0.738 1.00 0.00 H ATOM 267 HD21 LEU A 308 8.473 0.400 -1.334 1.00 0.00 H ATOM 268 HD22 LEU A 308 8.971 1.964 -0.644 1.00 0.00 H ATOM 269 HD23 LEU A 308 10.107 1.034 -1.652 1.00 0.00 H ATOM 270 HD11 LEU A 308 10.743 -1.607 0.856 1.00 0.00 H ATOM 271 HD12 LEU A 308 9.520 -1.727 -0.432 1.00 0.00 H ATOM 272 HD13 LEU A 308 11.123 -1.036 -0.787 1.00 0.00 H ATOM 273 H LEU A 308 10.033 1.396 3.352 1.00 0.00 H ATOM 274 N ILE A 309 5.948 1.290 2.443 1.00 0.12 N ATOM 275 CA ILE A 309 4.730 0.937 3.146 1.00 0.12 C ATOM 276 C ILE A 309 3.886 0.040 2.239 1.00 0.11 C ATOM 277 O ILE A 309 3.397 0.467 1.193 1.00 0.15 O ATOM 278 CB ILE A 309 3.946 2.198 3.591 1.00 0.13 C ATOM 279 CG1 ILE A 309 2.604 1.821 4.229 1.00 0.15 C ATOM 280 CG2 ILE A 309 3.743 3.162 2.427 1.00 0.14 C ATOM 281 CD1 ILE A 309 1.847 3.014 4.768 1.00 0.21 C ATOM 282 HA ILE A 309 4.981 0.395 4.058 1.00 0.00 H ATOM 283 HB ILE A 309 4.545 2.707 4.346 1.00 0.00 H ATOM 284 HG12 ILE A 309 1.987 1.330 3.476 1.00 0.00 H ATOM 285 HG13 ILE A 309 2.792 1.129 5.050 1.00 0.00 H ATOM 286 HD11 ILE A 309 2.448 3.510 5.530 1.00 0.00 H ATOM 287 HD12 ILE A 309 1.643 3.711 3.955 1.00 0.00 H ATOM 288 HD13 ILE A 309 0.907 2.679 5.206 1.00 0.00 H ATOM 289 HG21 ILE A 309 4.714 3.474 2.042 1.00 0.00 H ATOM 290 HG22 ILE A 309 3.181 2.663 1.638 1.00 0.00 H ATOM 291 HG23 ILE A 309 3.190 4.036 2.773 1.00 0.00 H ATOM 292 H ILE A 309 5.874 1.657 1.473 1.00 0.00 H ATOM 293 N CYS A 310 3.768 -1.221 2.624 1.00 0.12 N ATOM 294 CA CYS A 310 3.147 -2.221 1.771 1.00 0.12 C ATOM 295 C CYS A 310 1.711 -2.492 2.190 1.00 0.11 C ATOM 296 O CYS A 310 1.356 -2.402 3.370 1.00 0.12 O ATOM 297 CB CYS A 310 3.967 -3.510 1.804 1.00 0.14 C ATOM 298 SG CYS A 310 3.304 -4.849 0.791 1.00 1.36 S ATOM 299 HA CYS A 310 3.125 -1.836 0.752 1.00 0.00 H ATOM 300 HB2 CYS A 310 4.015 -3.856 2.836 1.00 0.00 H ATOM 301 HB3 CYS A 310 4.973 -3.282 1.451 1.00 0.00 H ATOM 302 HG CYS A 310 3.249 -4.443 -0.527 1.00 0.00 H ATOM 303 H CYS A 310 4.128 -1.503 3.558 1.00 0.00 H ATOM 304 N CYS A 311 0.889 -2.798 1.196 1.00 0.11 N ATOM 305 CA CYS A 311 -0.516 -3.100 1.406 1.00 0.12 C ATOM 306 C CYS A 311 -0.706 -4.493 2.004 1.00 0.14 C ATOM 307 O CYS A 311 0.131 -5.381 1.821 1.00 0.17 O ATOM 308 CB CYS A 311 -1.273 -2.976 0.076 1.00 0.16 C ATOM 309 SG CYS A 311 -3.038 -3.426 0.153 1.00 0.20 S ATOM 310 HA CYS A 311 -0.919 -2.382 2.120 1.00 0.00 H ATOM 311 HB2 CYS A 311 -0.789 -3.627 -0.652 1.00 0.00 H ATOM 312 HB3 CYS A 311 -1.201 -1.941 -0.260 1.00 0.00 H ATOM 313 HG CYS A 311 -3.682 -2.604 1.055 1.00 0.00 H ATOM 314 H CYS A 311 1.265 -2.823 0.227 1.00 0.00 H ATOM 315 N ASP A 312 -1.784 -4.664 2.754 1.00 0.19 N ATOM 316 CA ASP A 312 -2.136 -5.968 3.302 1.00 0.26 C ATOM 317 C ASP A 312 -2.376 -6.986 2.187 1.00 0.27 C ATOM 318 O ASP A 312 -1.594 -7.922 2.010 1.00 0.31 O ATOM 319 CB ASP A 312 -3.358 -5.888 4.218 1.00 0.35 C ATOM 320 CG ASP A 312 -3.826 -7.263 4.654 1.00 0.53 C ATOM 321 OD1 ASP A 312 -3.077 -7.949 5.377 1.00 0.66 O ATOM 322 OD2 ASP A 312 -4.943 -7.665 4.260 1.00 0.64 O ATOM 323 HA ASP A 312 -1.289 -6.301 3.902 1.00 0.00 H ATOM 324 HB2 ASP A 312 -3.099 -5.306 5.103 1.00 0.00 H ATOM 325 HB3 ASP A 312 -4.168 -5.392 3.683 1.00 0.00 H ATOM 326 H ASP A 312 -2.395 -3.847 2.957 1.00 0.00 H ATOM 327 N GLY A 313 -3.456 -6.789 1.434 1.00 0.29 N ATOM 328 CA GLY A 313 -3.857 -7.762 0.432 1.00 0.37 C ATOM 329 C GLY A 313 -3.069 -7.674 -0.864 1.00 0.28 C ATOM 330 O GLY A 313 -3.153 -8.572 -1.700 1.00 0.31 O ATOM 331 HA3 GLY A 313 -4.911 -7.605 0.204 1.00 0.00 H ATOM 332 HA2 GLY A 313 -3.721 -8.760 0.849 1.00 0.00 H ATOM 333 H GLY A 313 -4.021 -5.926 1.565 1.00 0.00 H ATOM 334 N CYS A 314 -2.315 -6.602 -1.042 1.00 0.25 N ATOM 335 CA CYS A 314 -1.521 -6.430 -2.253 1.00 0.24 C ATOM 336 C CYS A 314 -0.046 -6.262 -1.912 1.00 0.18 C ATOM 337 O CYS A 314 0.313 -5.453 -1.060 1.00 0.17 O ATOM 338 CB CYS A 314 -2.018 -5.231 -3.060 1.00 0.35 C ATOM 339 SG CYS A 314 -3.701 -5.434 -3.731 1.00 1.34 S ATOM 340 HA CYS A 314 -1.635 -7.327 -2.861 1.00 0.00 H ATOM 341 HB2 CYS A 314 -1.334 -5.071 -3.893 1.00 0.00 H ATOM 342 HB3 CYS A 314 -2.011 -4.355 -2.412 1.00 0.00 H ATOM 343 HG CYS A 314 -4.052 -4.302 -4.439 1.00 0.00 H ATOM 344 H CYS A 314 -2.288 -5.869 -0.305 1.00 0.00 H ATOM 345 N PRO A 315 0.825 -7.024 -2.594 1.00 0.22 N ATOM 346 CA PRO A 315 2.267 -7.068 -2.302 1.00 0.23 C ATOM 347 C PRO A 315 2.989 -5.745 -2.553 1.00 0.19 C ATOM 348 O PRO A 315 4.131 -5.575 -2.127 1.00 0.22 O ATOM 349 CB PRO A 315 2.795 -8.145 -3.257 1.00 0.33 C ATOM 350 CG PRO A 315 1.789 -8.213 -4.351 1.00 0.52 C ATOM 351 CD PRO A 315 0.465 -7.921 -3.706 1.00 0.31 C ATOM 352 HA PRO A 315 2.441 -7.275 -1.246 1.00 0.00 H ATOM 353 HD3 PRO A 315 -0.210 -7.427 -4.405 1.00 0.00 H ATOM 354 HD2 PRO A 315 -0.001 -8.835 -3.337 1.00 0.00 H ATOM 355 HG3 PRO A 315 1.782 -9.206 -4.800 1.00 0.00 H ATOM 356 HG2 PRO A 315 2.010 -7.470 -5.118 1.00 0.00 H ATOM 357 HB2 PRO A 315 3.772 -7.864 -3.651 1.00 0.00 H ATOM 358 HB3 PRO A 315 2.873 -9.105 -2.747 1.00 0.00 H ATOM 359 N ARG A 316 2.331 -4.814 -3.239 1.00 0.18 N ATOM 360 CA ARG A 316 2.946 -3.527 -3.554 1.00 0.18 C ATOM 361 C ARG A 316 3.336 -2.771 -2.296 1.00 0.14 C ATOM 362 O ARG A 316 2.558 -2.676 -1.341 1.00 0.17 O ATOM 363 CB ARG A 316 2.011 -2.637 -4.367 1.00 0.22 C ATOM 364 CG ARG A 316 1.718 -3.132 -5.765 1.00 0.32 C ATOM 365 CD ARG A 316 0.988 -2.061 -6.564 1.00 0.39 C ATOM 366 NE ARG A 316 0.303 -2.604 -7.736 1.00 0.67 N ATOM 367 CZ ARG A 316 -0.452 -1.873 -8.562 1.00 0.87 C ATOM 368 NH1 ARG A 316 -0.514 -0.551 -8.417 1.00 1.30 N ATOM 369 NH2 ARG A 316 -1.137 -2.459 -9.535 1.00 1.11 N ATOM 370 HA ARG A 316 3.836 -3.756 -4.140 1.00 0.00 H ATOM 371 HB2 ARG A 316 1.066 -2.559 -3.830 1.00 0.00 H ATOM 372 HB3 ARG A 316 2.466 -1.650 -4.445 1.00 0.00 H ATOM 373 HG2 ARG A 316 2.656 -3.376 -6.264 1.00 0.00 H ATOM 374 HG3 ARG A 316 1.095 -4.025 -5.707 1.00 0.00 H ATOM 375 HD2 ARG A 316 1.713 -1.318 -6.896 1.00 0.00 H ATOM 376 HD3 ARG A 316 0.251 -1.584 -5.918 1.00 0.00 H ATOM 377 HE ARG A 316 0.409 -3.618 -7.939 1.00 0.00 H ATOM 378 HH12 ARG A 316 -1.102 0.016 -9.061 1.00 0.00 H ATOM 379 HH11 ARG A 316 0.026 -0.085 -7.660 1.00 0.00 H ATOM 380 HH22 ARG A 316 -1.723 -1.887 -10.176 1.00 0.00 H ATOM 381 HH21 ARG A 316 -1.088 -3.491 -9.657 1.00 0.00 H ATOM 382 H ARG A 316 1.360 -5.006 -3.557 1.00 0.00 H ATOM 383 N ALA A 317 4.541 -2.238 -2.311 1.00 0.12 N ATOM 384 CA ALA A 317 4.993 -1.329 -1.275 1.00 0.11 C ATOM 385 C ALA A 317 5.225 0.041 -1.897 1.00 0.10 C ATOM 386 O ALA A 317 5.586 0.137 -3.067 1.00 0.14 O ATOM 387 CB ALA A 317 6.258 -1.850 -0.611 1.00 0.14 C ATOM 388 HA ALA A 317 4.232 -1.250 -0.499 1.00 0.00 H ATOM 389 HB1 ALA A 317 6.057 -2.823 -0.162 1.00 0.00 H ATOM 390 HB2 ALA A 317 7.045 -1.949 -1.359 1.00 0.00 H ATOM 391 HB3 ALA A 317 6.576 -1.150 0.162 1.00 0.00 H ATOM 392 H ALA A 317 5.188 -2.476 -3.090 1.00 0.00 H ATOM 393 N PHE A 318 4.993 1.096 -1.141 1.00 0.11 N ATOM 394 CA PHE A 318 5.094 2.443 -1.681 1.00 0.10 C ATOM 395 C PHE A 318 5.961 3.319 -0.798 1.00 0.11 C ATOM 396 O PHE A 318 6.244 2.970 0.338 1.00 0.14 O ATOM 397 CB PHE A 318 3.707 3.080 -1.779 1.00 0.12 C ATOM 398 CG PHE A 318 2.690 2.274 -2.539 1.00 0.13 C ATOM 399 CD1 PHE A 318 2.017 1.231 -1.924 1.00 0.15 C ATOM 400 CD2 PHE A 318 2.386 2.575 -3.858 1.00 0.18 C ATOM 401 CE1 PHE A 318 1.066 0.504 -2.605 1.00 0.19 C ATOM 402 CE2 PHE A 318 1.429 1.852 -4.543 1.00 0.21 C ATOM 403 CZ PHE A 318 0.771 0.814 -3.915 1.00 0.21 C ATOM 404 HA PHE A 318 5.544 2.367 -2.671 1.00 0.00 H ATOM 405 HB2 PHE A 318 3.332 3.231 -0.767 1.00 0.00 H ATOM 406 HB3 PHE A 318 3.812 4.045 -2.274 1.00 0.00 H ATOM 407 HD2 PHE A 318 2.908 3.390 -4.359 1.00 0.00 H ATOM 408 HE2 PHE A 318 1.194 2.101 -5.578 1.00 0.00 H ATOM 409 HZ PHE A 318 0.018 0.240 -4.455 1.00 0.00 H ATOM 410 HE1 PHE A 318 0.547 -0.316 -2.108 1.00 0.00 H ATOM 411 HD1 PHE A 318 2.243 0.982 -0.887 1.00 0.00 H ATOM 412 H PHE A 318 4.734 0.963 -0.143 1.00 0.00 H ATOM 413 N HIS A 319 6.386 4.455 -1.329 1.00 0.11 N ATOM 414 CA HIS A 319 7.044 5.466 -0.519 1.00 0.12 C ATOM 415 C HIS A 319 6.005 6.409 0.051 1.00 0.12 C ATOM 416 O HIS A 319 5.004 6.694 -0.613 1.00 0.13 O ATOM 417 CB HIS A 319 8.065 6.264 -1.329 1.00 0.14 C ATOM 418 CG HIS A 319 9.301 5.497 -1.657 1.00 0.14 C ATOM 419 ND1 HIS A 319 9.587 5.128 -2.943 1.00 0.16 N ATOM 420 CD2 HIS A 319 10.286 5.057 -0.839 1.00 0.17 C ATOM 421 CE1 HIS A 319 10.731 4.472 -2.884 1.00 0.18 C ATOM 422 NE2 HIS A 319 11.190 4.408 -1.631 1.00 0.18 N ATOM 423 HA HIS A 319 7.576 4.958 0.285 1.00 0.00 H ATOM 424 HB2 HIS A 319 7.596 6.577 -2.262 1.00 0.00 H ATOM 425 HB3 HIS A 319 8.349 7.145 -0.753 1.00 0.00 H ATOM 426 HD2 HIS A 319 10.346 5.194 0.241 1.00 0.00 H ATOM 427 HE1 HIS A 319 11.236 4.038 -3.747 1.00 0.00 H ATOM 428 H HIS A 319 6.246 4.627 -2.345 1.00 0.00 H ATOM 429 N LEU A 320 6.246 6.901 1.254 1.00 0.14 N ATOM 430 CA LEU A 320 5.269 7.722 1.960 1.00 0.15 C ATOM 431 C LEU A 320 4.786 8.885 1.095 1.00 0.14 C ATOM 432 O LEU A 320 3.590 9.025 0.836 1.00 0.15 O ATOM 433 CB LEU A 320 5.871 8.252 3.260 1.00 0.18 C ATOM 434 CG LEU A 320 6.284 7.185 4.280 1.00 0.22 C ATOM 435 CD1 LEU A 320 6.800 7.839 5.553 1.00 0.27 C ATOM 436 CD2 LEU A 320 5.111 6.265 4.591 1.00 0.23 C ATOM 437 HA LEU A 320 4.408 7.094 2.189 1.00 0.00 H ATOM 438 HB2 LEU A 320 6.756 8.835 3.007 1.00 0.00 H ATOM 439 HB3 LEU A 320 5.133 8.900 3.732 1.00 0.00 H ATOM 440 HG LEU A 320 7.087 6.587 3.850 1.00 0.00 H ATOM 441 HD21 LEU A 320 4.290 6.852 5.003 1.00 0.00 H ATOM 442 HD22 LEU A 320 4.784 5.773 3.675 1.00 0.00 H ATOM 443 HD23 LEU A 320 5.423 5.514 5.317 1.00 0.00 H ATOM 444 HD11 LEU A 320 7.665 8.459 5.317 1.00 0.00 H ATOM 445 HD12 LEU A 320 6.015 8.459 5.985 1.00 0.00 H ATOM 446 HD13 LEU A 320 7.089 7.066 6.266 1.00 0.00 H ATOM 447 H LEU A 320 7.158 6.697 1.710 1.00 0.00 H ATOM 448 N ALA A 321 5.732 9.685 0.619 1.00 0.15 N ATOM 449 CA ALA A 321 5.419 10.887 -0.146 1.00 0.16 C ATOM 450 C ALA A 321 4.957 10.567 -1.569 1.00 0.16 C ATOM 451 O ALA A 321 4.235 11.350 -2.183 1.00 0.20 O ATOM 452 CB ALA A 321 6.635 11.796 -0.186 1.00 0.19 C ATOM 453 HA ALA A 321 4.592 11.391 0.355 1.00 0.00 H ATOM 454 HB1 ALA A 321 6.912 12.075 0.831 1.00 0.00 H ATOM 455 HB2 ALA A 321 7.465 11.270 -0.659 1.00 0.00 H ATOM 456 HB3 ALA A 321 6.398 12.693 -0.758 1.00 0.00 H ATOM 457 H ALA A 321 6.729 9.447 0.797 1.00 0.00 H ATOM 458 N CYS A 322 5.382 9.427 -2.095 1.00 0.15 N ATOM 459 CA CYS A 322 5.052 9.053 -3.470 1.00 0.16 C ATOM 460 C CYS A 322 3.583 8.665 -3.601 1.00 0.14 C ATOM 461 O CYS A 322 3.008 8.735 -4.690 1.00 0.18 O ATOM 462 CB CYS A 322 5.947 7.908 -3.950 1.00 0.17 C ATOM 463 SG CYS A 322 7.722 8.318 -4.000 1.00 0.21 S ATOM 464 HA CYS A 322 5.230 9.924 -4.100 1.00 0.00 H ATOM 465 HB2 CYS A 322 5.633 7.626 -4.955 1.00 0.00 H ATOM 466 HB3 CYS A 322 5.810 7.062 -3.277 1.00 0.00 H ATOM 467 HG CYS A 322 8.433 7.222 -4.444 1.00 0.00 H ATOM 468 H CYS A 322 5.962 8.785 -1.518 1.00 0.00 H ATOM 469 N LEU A 323 2.988 8.245 -2.493 1.00 0.13 N ATOM 470 CA LEU A 323 1.576 7.893 -2.467 1.00 0.15 C ATOM 471 C LEU A 323 0.678 9.100 -2.705 1.00 0.19 C ATOM 472 O LEU A 323 1.091 10.245 -2.539 1.00 0.20 O ATOM 473 CB LEU A 323 1.224 7.255 -1.128 1.00 0.15 C ATOM 474 CG LEU A 323 1.578 5.777 -1.003 1.00 0.15 C ATOM 475 CD1 LEU A 323 1.502 5.337 0.448 1.00 0.19 C ATOM 476 CD2 LEU A 323 0.640 4.944 -1.862 1.00 0.20 C ATOM 477 HA LEU A 323 1.404 7.185 -3.277 1.00 0.00 H ATOM 478 HB2 LEU A 323 1.755 7.797 -0.345 1.00 0.00 H ATOM 479 HB3 LEU A 323 0.150 7.359 -0.976 1.00 0.00 H ATOM 480 HG LEU A 323 2.599 5.628 -1.354 1.00 0.00 H ATOM 481 HD21 LEU A 323 -0.387 5.097 -1.530 1.00 0.00 H ATOM 482 HD22 LEU A 323 0.736 5.250 -2.904 1.00 0.00 H ATOM 483 HD23 LEU A 323 0.901 3.890 -1.766 1.00 0.00 H ATOM 484 HD11 LEU A 323 2.204 5.923 1.041 1.00 0.00 H ATOM 485 HD12 LEU A 323 0.490 5.494 0.821 1.00 0.00 H ATOM 486 HD13 LEU A 323 1.757 4.280 0.520 1.00 0.00 H ATOM 487 H LEU A 323 3.545 8.165 -1.619 1.00 0.00 H ATOM 488 N SER A 324 -0.544 8.822 -3.118 1.00 0.24 N ATOM 489 CA SER A 324 -1.568 9.836 -3.257 1.00 0.30 C ATOM 490 C SER A 324 -2.903 9.280 -2.766 1.00 0.33 C ATOM 491 O SER A 324 -3.495 8.421 -3.421 1.00 0.38 O ATOM 492 CB SER A 324 -1.672 10.281 -4.713 1.00 0.39 C ATOM 493 OG SER A 324 -2.646 11.300 -4.886 1.00 0.93 O ATOM 494 HA SER A 324 -1.304 10.705 -2.654 1.00 0.00 H ATOM 495 HB2 SER A 324 -1.947 9.422 -5.326 1.00 0.00 H ATOM 496 HB3 SER A 324 -0.703 10.661 -5.036 1.00 0.00 H ATOM 497 HG SER A 324 -2.683 11.561 -5.840 1.00 0.00 H ATOM 498 H SER A 324 -0.781 7.837 -3.353 1.00 0.00 H ATOM 499 N PRO A 325 -3.395 9.742 -1.604 1.00 0.33 N ATOM 500 CA PRO A 325 -2.726 10.761 -0.781 1.00 0.30 C ATOM 501 C PRO A 325 -1.464 10.231 -0.101 1.00 0.26 C ATOM 502 O PRO A 325 -1.399 9.067 0.292 1.00 0.31 O ATOM 503 CB PRO A 325 -3.781 11.126 0.275 1.00 0.35 C ATOM 504 CG PRO A 325 -5.055 10.514 -0.202 1.00 0.61 C ATOM 505 CD PRO A 325 -4.656 9.308 -0.993 1.00 0.40 C ATOM 506 HA PRO A 325 -2.393 11.606 -1.384 1.00 0.00 H ATOM 507 HD3 PRO A 325 -4.506 8.443 -0.347 1.00 0.00 H ATOM 508 HD2 PRO A 325 -5.401 9.068 -1.751 1.00 0.00 H ATOM 509 HG3 PRO A 325 -5.602 11.217 -0.830 1.00 0.00 H ATOM 510 HG2 PRO A 325 -5.678 10.224 0.644 1.00 0.00 H ATOM 511 HB2 PRO A 325 -3.503 10.719 1.247 1.00 0.00 H ATOM 512 HB3 PRO A 325 -3.884 12.208 0.352 1.00 0.00 H ATOM 513 N PRO A 326 -0.444 11.090 0.030 1.00 0.22 N ATOM 514 CA PRO A 326 0.833 10.723 0.642 1.00 0.20 C ATOM 515 C PRO A 326 0.718 10.500 2.146 1.00 0.21 C ATOM 516 O PRO A 326 0.103 11.297 2.861 1.00 0.28 O ATOM 517 CB PRO A 326 1.749 11.923 0.356 1.00 0.20 C ATOM 518 CG PRO A 326 1.003 12.800 -0.597 1.00 0.42 C ATOM 519 CD PRO A 326 -0.454 12.487 -0.421 1.00 0.27 C ATOM 520 HA PRO A 326 1.207 9.783 0.237 1.00 0.00 H ATOM 521 HD3 PRO A 326 -0.906 13.137 0.328 1.00 0.00 H ATOM 522 HD2 PRO A 326 -0.993 12.590 -1.363 1.00 0.00 H ATOM 523 HG3 PRO A 326 1.312 12.590 -1.621 1.00 0.00 H ATOM 524 HG2 PRO A 326 1.192 13.849 -0.369 1.00 0.00 H ATOM 525 HB2 PRO A 326 1.963 12.463 1.278 1.00 0.00 H ATOM 526 HB3 PRO A 326 2.684 11.587 -0.092 1.00 0.00 H ATOM 527 N LEU A 327 1.305 9.409 2.616 1.00 0.23 N ATOM 528 CA LEU A 327 1.380 9.119 4.039 1.00 0.25 C ATOM 529 C LEU A 327 2.509 9.932 4.661 1.00 0.25 C ATOM 530 O LEU A 327 3.612 9.969 4.128 1.00 0.32 O ATOM 531 CB LEU A 327 1.637 7.619 4.270 1.00 0.29 C ATOM 532 CG LEU A 327 0.412 6.688 4.244 1.00 0.35 C ATOM 533 CD1 LEU A 327 -0.378 6.810 5.535 1.00 1.03 C ATOM 534 CD2 LEU A 327 -0.482 6.969 3.044 1.00 0.81 C ATOM 535 HA LEU A 327 0.432 9.387 4.505 1.00 0.00 H ATOM 536 HB2 LEU A 327 2.325 7.280 3.495 1.00 0.00 H ATOM 537 HB3 LEU A 327 2.110 7.513 5.246 1.00 0.00 H ATOM 538 HG LEU A 327 0.778 5.665 4.151 1.00 0.00 H ATOM 539 HD21 LEU A 327 -0.834 8.000 3.088 1.00 0.00 H ATOM 540 HD22 LEU A 327 0.086 6.817 2.126 1.00 0.00 H ATOM 541 HD23 LEU A 327 -1.335 6.291 3.062 1.00 0.00 H ATOM 542 HD11 LEU A 327 0.258 6.535 6.376 1.00 0.00 H ATOM 543 HD12 LEU A 327 -0.717 7.839 5.656 1.00 0.00 H ATOM 544 HD13 LEU A 327 -1.240 6.144 5.496 1.00 0.00 H ATOM 545 H LEU A 327 1.727 8.737 1.944 1.00 0.00 H ATOM 546 N ARG A 328 2.232 10.601 5.765 1.00 0.25 N ATOM 547 CA ARG A 328 3.268 11.342 6.479 1.00 0.29 C ATOM 548 C ARG A 328 3.732 10.518 7.667 1.00 0.28 C ATOM 549 O ARG A 328 4.808 10.731 8.226 1.00 0.34 O ATOM 550 CB ARG A 328 2.744 12.696 6.962 1.00 0.38 C ATOM 551 CG ARG A 328 1.833 12.607 8.176 1.00 0.50 C ATOM 552 CD ARG A 328 1.526 13.979 8.744 1.00 0.93 C ATOM 553 NE ARG A 328 0.895 13.896 10.060 1.00 1.56 N ATOM 554 CZ ARG A 328 0.736 14.934 10.876 1.00 2.11 C ATOM 555 NH1 ARG A 328 1.146 16.142 10.512 1.00 2.14 N ATOM 556 NH2 ARG A 328 0.169 14.759 12.060 1.00 3.15 N ATOM 557 HA ARG A 328 4.100 11.526 5.800 1.00 0.00 H ATOM 558 HB2 ARG A 328 3.598 13.323 7.219 1.00 0.00 H ATOM 559 HB3 ARG A 328 2.187 13.159 6.148 1.00 0.00 H ATOM 560 HG2 ARG A 328 0.899 12.128 7.883 1.00 0.00 H ATOM 561 HG3 ARG A 328 2.323 12.007 8.943 1.00 0.00 H ATOM 562 HD2 ARG A 328 0.853 14.500 8.063 1.00 0.00 H ATOM 563 HD3 ARG A 328 2.456 14.540 8.834 1.00 0.00 H ATOM 564 HE ARG A 328 0.549 12.968 10.378 1.00 0.00 H ATOM 565 HH12 ARG A 328 1.019 16.950 11.155 1.00 0.00 H ATOM 566 HH11 ARG A 328 1.595 16.281 9.584 1.00 0.00 H ATOM 567 HH22 ARG A 328 0.043 15.568 12.701 1.00 0.00 H ATOM 568 HH21 ARG A 328 -0.150 13.812 12.349 1.00 0.00 H ATOM 569 H ARG A 328 1.259 10.600 6.132 1.00 0.00 H ATOM 570 N GLU A 329 2.887 9.574 8.039 1.00 0.26 N ATOM 571 CA GLU A 329 3.123 8.720 9.186 1.00 0.30 C ATOM 572 C GLU A 329 2.543 7.338 8.920 1.00 0.22 C ATOM 573 O GLU A 329 1.581 7.198 8.162 1.00 0.27 O ATOM 574 CB GLU A 329 2.491 9.341 10.436 1.00 0.47 C ATOM 575 CG GLU A 329 1.006 9.629 10.282 1.00 0.71 C ATOM 576 CD GLU A 329 0.418 10.371 11.462 1.00 1.11 C ATOM 577 OE1 GLU A 329 0.281 9.764 12.541 1.00 1.23 O ATOM 578 OE2 GLU A 329 0.085 11.570 11.313 1.00 1.57 O ATOM 579 HA GLU A 329 4.195 8.623 9.355 1.00 0.00 H ATOM 580 HB2 GLU A 329 2.625 8.652 11.270 1.00 0.00 H ATOM 581 HB3 GLU A 329 3.004 10.278 10.654 1.00 0.00 H ATOM 582 HG2 GLU A 329 0.861 10.232 9.386 1.00 0.00 H ATOM 583 HG3 GLU A 329 0.479 8.682 10.170 1.00 0.00 H ATOM 584 H GLU A 329 2.017 9.438 7.486 1.00 0.00 H ATOM 585 N ILE A 330 3.139 6.326 9.530 1.00 0.21 N ATOM 586 CA ILE A 330 2.732 4.948 9.298 1.00 0.19 C ATOM 587 C ILE A 330 1.411 4.625 9.996 1.00 0.20 C ATOM 588 O ILE A 330 1.241 4.890 11.189 1.00 0.27 O ATOM 589 CB ILE A 330 3.826 3.954 9.752 1.00 0.25 C ATOM 590 CG1 ILE A 330 5.086 4.140 8.903 1.00 0.28 C ATOM 591 CG2 ILE A 330 3.323 2.519 9.662 1.00 0.26 C ATOM 592 CD1 ILE A 330 4.849 3.950 7.419 1.00 0.26 C ATOM 593 HA ILE A 330 2.587 4.839 8.223 1.00 0.00 H ATOM 594 HB ILE A 330 4.072 4.158 10.794 1.00 0.00 H ATOM 595 HG12 ILE A 330 5.466 5.149 9.066 1.00 0.00 H ATOM 596 HG13 ILE A 330 5.832 3.415 9.229 1.00 0.00 H ATOM 597 HD11 ILE A 330 4.479 2.941 7.238 1.00 0.00 H ATOM 598 HD12 ILE A 330 4.113 4.676 7.074 1.00 0.00 H ATOM 599 HD13 ILE A 330 5.786 4.097 6.881 1.00 0.00 H ATOM 600 HG21 ILE A 330 2.451 2.400 10.304 1.00 0.00 H ATOM 601 HG22 ILE A 330 3.050 2.295 8.631 1.00 0.00 H ATOM 602 HG23 ILE A 330 4.110 1.838 9.986 1.00 0.00 H ATOM 603 H ILE A 330 3.918 6.520 10.192 1.00 0.00 H ATOM 604 N PRO A 331 0.459 4.055 9.239 1.00 0.19 N ATOM 605 CA PRO A 331 -0.854 3.677 9.740 1.00 0.23 C ATOM 606 C PRO A 331 -0.850 2.329 10.447 1.00 0.24 C ATOM 607 O PRO A 331 -0.267 1.358 9.960 1.00 0.29 O ATOM 608 CB PRO A 331 -1.720 3.589 8.479 1.00 0.29 C ATOM 609 CG PRO A 331 -0.811 3.819 7.313 1.00 0.27 C ATOM 610 CD PRO A 331 0.595 3.734 7.825 1.00 0.19 C ATOM 611 HA PRO A 331 -1.211 4.395 10.478 1.00 0.00 H ATOM 612 HD3 PRO A 331 1.000 2.731 7.690 1.00 0.00 H ATOM 613 HD2 PRO A 331 1.238 4.455 7.321 1.00 0.00 H ATOM 614 HG3 PRO A 331 -0.994 4.804 6.885 1.00 0.00 H ATOM 615 HG2 PRO A 331 -0.979 3.057 6.552 1.00 0.00 H ATOM 616 HB2 PRO A 331 -2.180 2.604 8.408 1.00 0.00 H ATOM 617 HB3 PRO A 331 -2.499 4.351 8.504 1.00 0.00 H ATOM 618 N SER A 332 -1.528 2.265 11.577 1.00 0.34 N ATOM 619 CA SER A 332 -1.623 1.034 12.341 1.00 0.45 C ATOM 620 C SER A 332 -2.875 0.269 11.927 1.00 0.37 C ATOM 621 O SER A 332 -3.999 0.734 12.136 1.00 0.60 O ATOM 622 CB SER A 332 -1.648 1.347 13.841 1.00 0.67 C ATOM 623 OG SER A 332 -1.691 0.162 14.622 1.00 1.66 O ATOM 624 HA SER A 332 -0.751 0.413 12.137 1.00 0.00 H ATOM 625 HB2 SER A 332 -2.529 1.949 14.062 1.00 0.00 H ATOM 626 HB3 SER A 332 -0.751 1.909 14.100 1.00 0.00 H ATOM 627 HG SER A 332 -1.706 0.402 15.582 1.00 0.00 H ATOM 628 H SER A 332 -2.007 3.118 11.930 1.00 0.00 H ATOM 629 N GLY A 333 -2.680 -0.886 11.313 1.00 0.41 N ATOM 630 CA GLY A 333 -3.797 -1.656 10.819 1.00 0.34 C ATOM 631 C GLY A 333 -3.487 -2.295 9.488 1.00 0.36 C ATOM 632 O GLY A 333 -2.332 -2.317 9.049 1.00 0.46 O ATOM 633 HA3 GLY A 333 -4.657 -0.997 10.703 1.00 0.00 H ATOM 634 HA2 GLY A 333 -4.034 -2.438 11.540 1.00 0.00 H ATOM 635 H GLY A 333 -1.712 -1.243 11.185 1.00 0.00 H ATOM 636 N THR A 334 -4.520 -2.796 8.839 1.00 0.33 N ATOM 637 CA THR A 334 -4.383 -3.347 7.506 1.00 0.34 C ATOM 638 C THR A 334 -4.481 -2.237 6.475 1.00 0.29 C ATOM 639 O THR A 334 -5.570 -1.746 6.171 1.00 0.35 O ATOM 640 CB THR A 334 -5.442 -4.422 7.208 1.00 0.41 C ATOM 641 OG1 THR A 334 -6.735 -4.008 7.680 1.00 0.58 O ATOM 642 CG2 THR A 334 -5.058 -5.749 7.840 1.00 0.48 C ATOM 643 HA THR A 334 -3.404 -3.823 7.452 1.00 0.00 H ATOM 644 HB THR A 334 -5.490 -4.553 6.127 1.00 0.00 H ATOM 645 HG1 THR A 334 -6.996 -3.167 7.228 1.00 0.00 H ATOM 646 HG23 THR A 334 -4.077 -6.053 7.475 1.00 0.00 H ATOM 647 HG21 THR A 334 -5.026 -5.638 8.924 1.00 0.00 H ATOM 648 HG22 THR A 334 -5.797 -6.505 7.573 1.00 0.00 H ATOM 649 H THR A 334 -5.455 -2.796 9.295 1.00 0.00 H ATOM 650 N TRP A 335 -3.337 -1.840 5.950 1.00 0.23 N ATOM 651 CA TRP A 335 -3.278 -0.732 5.015 1.00 0.20 C ATOM 652 C TRP A 335 -3.547 -1.222 3.602 1.00 0.17 C ATOM 653 O TRP A 335 -3.132 -2.320 3.227 1.00 0.18 O ATOM 654 CB TRP A 335 -1.916 -0.036 5.089 1.00 0.21 C ATOM 655 CG TRP A 335 -1.817 1.158 4.189 1.00 0.20 C ATOM 656 CD1 TRP A 335 -2.272 2.419 4.446 1.00 0.23 C ATOM 657 CD2 TRP A 335 -1.239 1.200 2.882 1.00 0.20 C ATOM 658 NE1 TRP A 335 -2.016 3.240 3.376 1.00 0.24 N ATOM 659 CE2 TRP A 335 -1.381 2.515 2.404 1.00 0.23 C ATOM 660 CE3 TRP A 335 -0.617 0.251 2.070 1.00 0.21 C ATOM 661 CZ2 TRP A 335 -0.925 2.902 1.147 1.00 0.27 C ATOM 662 CZ3 TRP A 335 -0.163 0.637 0.825 1.00 0.26 C ATOM 663 CH2 TRP A 335 -0.319 1.951 0.375 1.00 0.29 C ATOM 664 HA TRP A 335 -4.047 -0.009 5.287 1.00 0.00 H ATOM 665 HB2 TRP A 335 -1.747 0.288 6.116 1.00 0.00 H ATOM 666 HB3 TRP A 335 -1.145 -0.751 4.803 1.00 0.00 H ATOM 667 HE1 TRP A 335 -2.264 4.248 3.314 1.00 0.00 H ATOM 668 HD1 TRP A 335 -2.767 2.729 5.367 1.00 0.00 H ATOM 669 HZ2 TRP A 335 -1.047 3.925 0.792 1.00 0.00 H ATOM 670 HH2 TRP A 335 0.051 2.223 -0.614 1.00 0.00 H ATOM 671 HZ3 TRP A 335 0.325 -0.095 0.182 1.00 0.00 H ATOM 672 HE3 TRP A 335 -0.492 -0.776 2.413 1.00 0.00 H ATOM 673 H TRP A 335 -2.459 -2.332 6.212 1.00 0.00 H ATOM 674 N ARG A 336 -4.245 -0.409 2.828 1.00 0.18 N ATOM 675 CA ARG A 336 -4.606 -0.757 1.468 1.00 0.19 C ATOM 676 C ARG A 336 -4.150 0.325 0.498 1.00 0.21 C ATOM 677 O ARG A 336 -4.269 1.515 0.786 1.00 0.27 O ATOM 678 CB ARG A 336 -6.119 -0.933 1.366 1.00 0.28 C ATOM 679 CG ARG A 336 -6.644 -2.196 2.021 1.00 0.43 C ATOM 680 CD ARG A 336 -8.157 -2.241 1.955 1.00 0.63 C ATOM 681 NE ARG A 336 -8.701 -3.516 2.415 1.00 1.09 N ATOM 682 CZ ARG A 336 -9.840 -3.629 3.096 1.00 1.55 C ATOM 683 NH1 ARG A 336 -10.477 -2.537 3.500 1.00 1.85 N ATOM 684 NH2 ARG A 336 -10.327 -4.833 3.389 1.00 1.99 N ATOM 685 HA ARG A 336 -4.111 -1.692 1.205 1.00 0.00 H ATOM 686 HB2 ARG A 336 -6.596 -0.077 1.843 1.00 0.00 H ATOM 687 HB3 ARG A 336 -6.390 -0.957 0.311 1.00 0.00 H ATOM 688 HG2 ARG A 336 -6.236 -3.064 1.503 1.00 0.00 H ATOM 689 HG3 ARG A 336 -6.330 -2.216 3.065 1.00 0.00 H ATOM 690 HD2 ARG A 336 -8.467 -2.081 0.922 1.00 0.00 H ATOM 691 HD3 ARG A 336 -8.558 -1.444 2.581 1.00 0.00 H ATOM 692 HE ARG A 336 -8.170 -4.383 2.199 1.00 0.00 H ATOM 693 HH12 ARG A 336 -11.367 -2.621 4.032 1.00 0.00 H ATOM 694 HH11 ARG A 336 -10.086 -1.597 3.285 1.00 0.00 H ATOM 695 HH22 ARG A 336 -11.217 -4.919 3.921 1.00 0.00 H ATOM 696 HH21 ARG A 336 -9.818 -5.688 3.086 1.00 0.00 H ATOM 697 H ARG A 336 -4.545 0.511 3.208 1.00 0.00 H ATOM 698 N CYS A 337 -3.610 -0.094 -0.644 1.00 0.24 N ATOM 699 CA CYS A 337 -3.198 0.845 -1.681 1.00 0.32 C ATOM 700 C CYS A 337 -4.415 1.528 -2.303 1.00 0.40 C ATOM 701 O CYS A 337 -5.555 1.130 -2.038 1.00 0.37 O ATOM 702 CB CYS A 337 -2.393 0.121 -2.761 1.00 0.37 C ATOM 703 SG CYS A 337 -3.287 -1.242 -3.572 1.00 0.63 S ATOM 704 HA CYS A 337 -2.569 1.608 -1.223 1.00 0.00 H ATOM 705 HB2 CYS A 337 -1.493 -0.286 -2.301 1.00 0.00 H ATOM 706 HB3 CYS A 337 -2.113 0.848 -3.524 1.00 0.00 H ATOM 707 HG CYS A 337 -3.639 -2.185 -2.628 1.00 0.00 H ATOM 708 H CYS A 337 -3.479 -1.114 -0.800 1.00 0.00 H ATOM 709 N SER A 338 -4.179 2.526 -3.142 1.00 0.53 N ATOM 710 CA SER A 338 -5.262 3.317 -3.717 1.00 0.63 C ATOM 711 C SER A 338 -6.251 2.438 -4.482 1.00 0.62 C ATOM 712 O SER A 338 -7.466 2.604 -4.353 1.00 0.63 O ATOM 713 CB SER A 338 -4.684 4.397 -4.635 1.00 0.81 C ATOM 714 OG SER A 338 -3.679 5.143 -3.964 1.00 1.47 O ATOM 715 HA SER A 338 -5.808 3.792 -2.902 1.00 0.00 H ATOM 716 HB2 SER A 338 -5.484 5.070 -4.943 1.00 0.00 H ATOM 717 HB3 SER A 338 -4.250 3.923 -5.516 1.00 0.00 H ATOM 718 HG SER A 338 -3.320 5.834 -4.575 1.00 0.00 H ATOM 719 H SER A 338 -3.196 2.751 -3.397 1.00 0.00 H ATOM 720 N SER A 339 -5.722 1.485 -5.247 1.00 0.64 N ATOM 721 CA SER A 339 -6.552 0.578 -6.032 1.00 0.69 C ATOM 722 C SER A 339 -7.523 -0.186 -5.130 1.00 0.59 C ATOM 723 O SER A 339 -8.702 -0.327 -5.450 1.00 0.63 O ATOM 724 CB SER A 339 -5.674 -0.403 -6.819 1.00 0.79 C ATOM 725 OG SER A 339 -6.452 -1.184 -7.711 1.00 1.67 O ATOM 726 HA SER A 339 -7.133 1.172 -6.737 1.00 0.00 H ATOM 727 HB2 SER A 339 -5.164 -1.064 -6.119 1.00 0.00 H ATOM 728 HB3 SER A 339 -4.935 0.160 -7.390 1.00 0.00 H ATOM 729 HG SER A 339 -5.861 -1.806 -8.204 1.00 0.00 H ATOM 730 H SER A 339 -4.688 1.385 -5.286 1.00 0.00 H ATOM 731 N CYS A 340 -7.023 -0.646 -3.990 1.00 0.51 N ATOM 732 CA CYS A 340 -7.833 -1.396 -3.035 1.00 0.48 C ATOM 733 C CYS A 340 -8.952 -0.533 -2.456 1.00 0.48 C ATOM 734 O CYS A 340 -10.087 -0.984 -2.323 1.00 0.57 O ATOM 735 CB CYS A 340 -6.956 -1.934 -1.909 1.00 0.45 C ATOM 736 SG CYS A 340 -5.785 -3.224 -2.430 1.00 0.55 S ATOM 737 HA CYS A 340 -8.289 -2.231 -3.567 1.00 0.00 H ATOM 738 HB2 CYS A 340 -7.605 -2.351 -1.139 1.00 0.00 H ATOM 739 HB3 CYS A 340 -6.387 -1.103 -1.492 1.00 0.00 H ATOM 740 HG CYS A 340 -4.940 -2.714 -3.395 1.00 0.00 H ATOM 741 H CYS A 340 -6.022 -0.466 -3.770 1.00 0.00 H ATOM 742 N LEU A 341 -8.630 0.711 -2.124 1.00 0.48 N ATOM 743 CA LEU A 341 -9.606 1.622 -1.535 1.00 0.59 C ATOM 744 C LEU A 341 -10.628 2.056 -2.571 1.00 0.69 C ATOM 745 O LEU A 341 -11.717 2.514 -2.235 1.00 0.85 O ATOM 746 CB LEU A 341 -8.903 2.853 -0.951 1.00 0.66 C ATOM 747 CG LEU A 341 -7.835 2.560 0.105 1.00 0.62 C ATOM 748 CD1 LEU A 341 -7.158 3.845 0.542 1.00 0.78 C ATOM 749 CD2 LEU A 341 -8.442 1.845 1.303 1.00 0.65 C ATOM 750 HA LEU A 341 -10.123 1.094 -0.734 1.00 0.00 H ATOM 751 HB2 LEU A 341 -8.427 3.389 -1.772 1.00 0.00 H ATOM 752 HB3 LEU A 341 -9.662 3.489 -0.495 1.00 0.00 H ATOM 753 HG LEU A 341 -7.086 1.905 -0.339 1.00 0.00 H ATOM 754 HD21 LEU A 341 -9.213 2.474 1.747 1.00 0.00 H ATOM 755 HD22 LEU A 341 -8.883 0.903 0.977 1.00 0.00 H ATOM 756 HD23 LEU A 341 -7.663 1.648 2.040 1.00 0.00 H ATOM 757 HD11 LEU A 341 -6.686 4.317 -0.320 1.00 0.00 H ATOM 758 HD12 LEU A 341 -7.902 4.520 0.966 1.00 0.00 H ATOM 759 HD13 LEU A 341 -6.401 3.618 1.293 1.00 0.00 H ATOM 760 H LEU A 341 -7.659 1.045 -2.288 1.00 0.00 H ATOM 761 N GLN A 342 -10.266 1.917 -3.833 1.00 0.68 N ATOM 762 CA GLN A 342 -11.152 2.260 -4.925 1.00 0.81 C ATOM 763 C GLN A 342 -11.955 1.037 -5.353 1.00 0.87 C ATOM 764 O GLN A 342 -12.907 1.136 -6.129 1.00 1.05 O ATOM 765 CB GLN A 342 -10.328 2.795 -6.094 1.00 0.92 C ATOM 766 CG GLN A 342 -11.151 3.490 -7.157 1.00 1.13 C ATOM 767 CD GLN A 342 -10.320 3.902 -8.348 1.00 1.37 C ATOM 768 OE1 GLN A 342 -9.330 3.249 -8.687 1.00 1.79 O ATOM 769 NE2 GLN A 342 -10.711 4.988 -8.989 1.00 1.93 N ATOM 770 HA GLN A 342 -11.851 3.030 -4.599 1.00 0.00 H ATOM 771 HB2 GLN A 342 -9.600 3.506 -5.704 1.00 0.00 H ATOM 772 HB3 GLN A 342 -9.805 1.958 -6.557 1.00 0.00 H ATOM 773 HG2 GLN A 342 -11.934 2.811 -7.494 1.00 0.00 H ATOM 774 HG3 GLN A 342 -11.606 4.380 -6.722 1.00 0.00 H ATOM 775 HE22 GLN A 342 -11.553 5.507 -8.667 1.00 0.00 H ATOM 776 HE21 GLN A 342 -10.177 5.324 -9.816 1.00 0.00 H ATOM 777 H GLN A 342 -9.317 1.551 -4.049 1.00 0.00 H ATOM 778 N ALA A 343 -11.590 -0.117 -4.809 1.00 0.84 N ATOM 779 CA ALA A 343 -12.199 -1.376 -5.206 1.00 1.01 C ATOM 780 C ALA A 343 -13.408 -1.714 -4.340 1.00 1.11 C ATOM 781 O ALA A 343 -13.756 -2.882 -4.177 1.00 1.31 O ATOM 782 CB ALA A 343 -11.175 -2.501 -5.150 1.00 1.06 C ATOM 783 HA ALA A 343 -12.548 -1.265 -6.232 1.00 0.00 H ATOM 784 HB1 ALA A 343 -10.351 -2.275 -5.827 1.00 0.00 H ATOM 785 HB2 ALA A 343 -10.795 -2.595 -4.133 1.00 0.00 H ATOM 786 HB3 ALA A 343 -11.648 -3.436 -5.450 1.00 0.00 H ATOM 787 H ALA A 343 -10.849 -0.121 -4.079 1.00 0.00 H ATOM 788 N THR A 344 -14.026 -0.690 -3.763 1.00 1.11 N ATOM 789 CA THR A 344 -15.295 -0.852 -3.064 1.00 1.35 C ATOM 790 C THR A 344 -16.425 -1.190 -4.048 1.00 1.98 C ATOM 791 O THR A 344 -17.319 -0.379 -4.295 1.00 2.69 O ATOM 792 CB THR A 344 -15.649 0.422 -2.271 1.00 1.92 C ATOM 793 OG1 THR A 344 -15.426 1.583 -3.085 1.00 2.52 O ATOM 794 CG2 THR A 344 -14.814 0.522 -1.002 1.00 2.43 C ATOM 795 HA THR A 344 -15.186 -1.681 -2.364 1.00 0.00 H ATOM 796 HB THR A 344 -16.701 0.368 -1.992 1.00 0.00 H ATOM 797 HG1 THR A 344 -15.996 1.532 -3.893 1.00 0.00 H ATOM 798 HG23 THR A 344 -14.985 -0.361 -0.386 1.00 0.00 H ATOM 799 HG21 THR A 344 -13.758 0.583 -1.267 1.00 0.00 H ATOM 800 HG22 THR A 344 -15.103 1.415 -0.448 1.00 0.00 H ATOM 801 H THR A 344 -13.592 0.254 -3.811 1.00 0.00 H ATOM 802 N VAL A 345 -16.345 -2.385 -4.627 1.00 2.46 N ATOM 803 CA VAL A 345 -17.319 -2.859 -5.609 1.00 3.48 C ATOM 804 C VAL A 345 -18.729 -2.954 -5.020 1.00 3.77 C ATOM 805 O VAL A 345 -19.718 -2.747 -5.725 1.00 4.41 O ATOM 806 CB VAL A 345 -16.906 -4.236 -6.175 1.00 4.43 C ATOM 807 CG1 VAL A 345 -17.870 -4.693 -7.261 1.00 5.52 C ATOM 808 CG2 VAL A 345 -15.482 -4.186 -6.710 1.00 4.61 C ATOM 809 HA VAL A 345 -17.334 -2.125 -6.414 1.00 0.00 H ATOM 810 HB VAL A 345 -16.947 -4.962 -5.363 1.00 0.00 H ATOM 811 HG11 VAL A 345 -18.874 -4.773 -6.844 1.00 0.00 H ATOM 812 HG12 VAL A 345 -17.870 -3.967 -8.074 1.00 0.00 H ATOM 813 HG13 VAL A 345 -17.554 -5.665 -7.640 1.00 0.00 H ATOM 814 HG21 VAL A 345 -15.420 -3.442 -7.504 1.00 0.00 H ATOM 815 HG22 VAL A 345 -14.801 -3.915 -5.903 1.00 0.00 H ATOM 816 HG23 VAL A 345 -15.209 -5.165 -7.104 1.00 0.00 H ATOM 817 H VAL A 345 -15.554 -3.010 -4.370 1.00 0.00 H ATOM 818 N GLN A 346 -18.818 -3.264 -3.729 1.00 3.72 N ATOM 819 CA GLN A 346 -20.113 -3.421 -3.073 1.00 4.43 C ATOM 820 C GLN A 346 -20.744 -2.066 -2.764 1.00 4.64 C ATOM 821 O GLN A 346 -20.161 -1.021 -3.055 1.00 4.85 O ATOM 822 CB GLN A 346 -19.980 -4.238 -1.785 1.00 4.92 C ATOM 823 CG GLN A 346 -19.577 -5.684 -2.017 1.00 5.36 C ATOM 824 CD GLN A 346 -19.593 -6.491 -0.736 1.00 6.22 C ATOM 825 OE1 GLN A 346 -18.584 -6.606 -0.042 1.00 6.73 O ATOM 826 NE2 GLN A 346 -20.749 -7.039 -0.405 1.00 6.73 N ATOM 827 HA GLN A 346 -20.764 -3.957 -3.764 1.00 0.00 H ATOM 828 HB2 GLN A 346 -19.225 -3.767 -1.155 1.00 0.00 H ATOM 829 HB3 GLN A 346 -20.940 -4.227 -1.269 1.00 0.00 H ATOM 830 HG2 GLN A 346 -20.273 -6.134 -2.725 1.00 0.00 H ATOM 831 HG3 GLN A 346 -18.570 -5.706 -2.434 1.00 0.00 H ATOM 832 HE22 GLN A 346 -21.578 -6.917 -1.021 1.00 0.00 H ATOM 833 HE21 GLN A 346 -20.830 -7.593 0.472 1.00 0.00 H ATOM 834 H GLN A 346 -17.947 -3.397 -3.176 1.00 0.00 H ATOM 835 N GLU A 347 -21.938 -2.098 -2.176 1.00 5.05 N ATOM 836 CA GLU A 347 -22.649 -0.882 -1.805 1.00 5.69 C ATOM 837 C GLU A 347 -21.788 -0.038 -0.875 1.00 6.30 C ATOM 838 O GLU A 347 -21.377 -0.502 0.190 1.00 6.66 O ATOM 839 CB GLU A 347 -23.979 -1.208 -1.110 1.00 6.27 C ATOM 840 CG GLU A 347 -24.961 -2.016 -1.952 1.00 6.68 C ATOM 841 CD GLU A 347 -24.544 -3.463 -2.137 1.00 7.28 C ATOM 842 OE1 GLU A 347 -24.287 -4.150 -1.124 1.00 7.68 O ATOM 843 OE2 GLU A 347 -24.451 -3.916 -3.297 1.00 7.60 O ATOM 844 HA GLU A 347 -22.861 -0.326 -2.718 1.00 0.00 H ATOM 845 HB2 GLU A 347 -23.759 -1.777 -0.207 1.00 0.00 H ATOM 846 HB3 GLU A 347 -24.459 -0.268 -0.838 1.00 0.00 H ATOM 847 HG2 GLU A 347 -25.935 -1.996 -1.463 1.00 0.00 H ATOM 848 HG3 GLU A 347 -25.040 -1.550 -2.934 1.00 0.00 H ATOM 849 H GLU A 347 -22.377 -3.019 -1.975 1.00 0.00 H ATOM 850 N VAL A 348 -21.520 1.196 -1.273 1.00 6.79 N ATOM 851 CA VAL A 348 -20.651 2.075 -0.501 1.00 7.69 C ATOM 852 C VAL A 348 -21.433 2.761 0.623 1.00 8.41 C ATOM 853 O VAL A 348 -21.414 3.985 0.764 1.00 9.19 O ATOM 854 CB VAL A 348 -19.970 3.132 -1.396 1.00 8.24 C ATOM 855 CG1 VAL A 348 -18.800 3.787 -0.674 1.00 8.98 C ATOM 856 CG2 VAL A 348 -19.507 2.513 -2.711 1.00 8.51 C ATOM 857 HA VAL A 348 -19.871 1.454 -0.061 1.00 0.00 H ATOM 858 HB VAL A 348 -20.707 3.904 -1.620 1.00 0.00 H ATOM 859 HG11 VAL A 348 -19.161 4.275 0.231 1.00 0.00 H ATOM 860 HG12 VAL A 348 -18.066 3.026 -0.410 1.00 0.00 H ATOM 861 HG13 VAL A 348 -18.339 4.527 -1.328 1.00 0.00 H ATOM 862 HG21 VAL A 348 -18.794 1.715 -2.504 1.00 0.00 H ATOM 863 HG22 VAL A 348 -20.367 2.105 -3.242 1.00 0.00 H ATOM 864 HG23 VAL A 348 -19.031 3.278 -3.324 1.00 0.00 H ATOM 865 H VAL A 348 -21.940 1.546 -2.158 1.00 0.00 H ATOM 866 N GLN A 349 -22.142 1.942 1.397 1.00 8.35 N ATOM 867 CA GLN A 349 -22.870 2.393 2.583 1.00 9.25 C ATOM 868 C GLN A 349 -23.905 3.460 2.236 1.00 9.81 C ATOM 869 O GLN A 349 -23.640 4.658 2.351 1.00 9.85 O ATOM 870 CB GLN A 349 -21.900 2.918 3.652 1.00 9.50 C ATOM 871 CG GLN A 349 -21.196 1.829 4.456 1.00 9.64 C ATOM 872 CD GLN A 349 -20.484 0.809 3.590 1.00 10.09 C ATOM 873 OE1 GLN A 349 -19.321 0.987 3.223 1.00 10.30 O ATOM 874 NE2 GLN A 349 -21.175 -0.275 3.267 1.00 10.48 N ATOM 875 HA GLN A 349 -23.401 1.531 2.986 1.00 0.00 H ATOM 876 HB2 GLN A 349 -21.139 3.521 3.156 1.00 0.00 H ATOM 877 HB3 GLN A 349 -22.463 3.544 4.345 1.00 0.00 H ATOM 878 HG2 GLN A 349 -20.462 2.301 5.109 1.00 0.00 H ATOM 879 HG3 GLN A 349 -21.939 1.310 5.061 1.00 0.00 H ATOM 880 HE22 GLN A 349 -22.155 -0.385 3.598 1.00 0.00 H ATOM 881 HE21 GLN A 349 -20.737 -1.016 2.682 1.00 0.00 H ATOM 882 H GLN A 349 -22.180 0.933 1.146 1.00 0.00 H ATOM 883 N PRO A 350 -25.104 3.032 1.818 1.00 10.46 N ATOM 884 CA PRO A 350 -26.182 3.949 1.448 1.00 11.22 C ATOM 885 C PRO A 350 -26.701 4.718 2.659 1.00 12.02 C ATOM 886 O PRO A 350 -27.349 4.153 3.543 1.00 12.51 O ATOM 887 CB PRO A 350 -27.264 3.031 0.873 1.00 11.80 C ATOM 888 CG PRO A 350 -26.984 1.685 1.445 1.00 11.63 C ATOM 889 CD PRO A 350 -25.502 1.621 1.699 1.00 10.74 C ATOM 890 HA PRO A 350 -25.855 4.711 0.740 1.00 0.00 H ATOM 891 HD3 PRO A 350 -25.289 1.078 2.620 1.00 0.00 H ATOM 892 HD2 PRO A 350 -24.986 1.141 0.868 1.00 0.00 H ATOM 893 HG3 PRO A 350 -27.278 0.908 0.739 1.00 0.00 H ATOM 894 HG2 PRO A 350 -27.531 1.552 2.378 1.00 0.00 H ATOM 895 HB2 PRO A 350 -28.254 3.374 1.172 1.00 0.00 H ATOM 896 HB3 PRO A 350 -27.203 3.004 -0.215 1.00 0.00 H ATOM 897 N ARG A 351 -26.411 6.007 2.698 1.00 12.32 N ATOM 898 CA ARG A 351 -26.749 6.826 3.850 1.00 13.21 C ATOM 899 C ARG A 351 -28.023 7.619 3.586 1.00 14.01 C ATOM 900 O ARG A 351 -28.160 8.766 4.007 1.00 14.62 O ATOM 901 CB ARG A 351 -25.591 7.763 4.184 1.00 13.33 C ATOM 902 CG ARG A 351 -25.616 8.270 5.616 1.00 13.46 C ATOM 903 CD ARG A 351 -25.343 7.158 6.621 1.00 13.60 C ATOM 904 NE ARG A 351 -26.548 6.393 6.944 1.00 14.02 N ATOM 905 CZ ARG A 351 -26.543 5.179 7.492 1.00 14.33 C ATOM 906 NH1 ARG A 351 -25.402 4.529 7.689 1.00 14.26 N ATOM 907 NH2 ARG A 351 -27.689 4.604 7.821 1.00 14.87 N ATOM 908 HA ARG A 351 -26.926 6.173 4.705 1.00 0.00 H ATOM 909 HB2 ARG A 351 -24.656 7.227 4.024 1.00 0.00 H ATOM 910 HB3 ARG A 351 -25.636 8.621 3.513 1.00 0.00 H ATOM 911 HG2 ARG A 351 -24.855 9.042 5.730 1.00 0.00 H ATOM 912 HG3 ARG A 351 -26.598 8.697 5.821 1.00 0.00 H ATOM 913 HD2 ARG A 351 -24.953 7.601 7.537 1.00 0.00 H ATOM 914 HD3 ARG A 351 -24.599 6.481 6.201 1.00 0.00 H ATOM 915 HE ARG A 351 -27.469 6.826 6.732 1.00 0.00 H ATOM 916 HH12 ARG A 351 -25.411 3.582 8.118 1.00 0.00 H ATOM 917 HH11 ARG A 351 -24.500 4.967 7.415 1.00 0.00 H ATOM 918 HH22 ARG A 351 -27.691 3.656 8.249 1.00 0.00 H ATOM 919 HH21 ARG A 351 -28.587 5.100 7.651 1.00 0.00 H ATOM 920 H ARG A 351 -25.930 6.445 1.886 1.00 0.00 H ATOM 921 N ALA A 352 -28.947 7.011 2.856 1.00 14.16 N ATOM 922 CA ALA A 352 -30.246 7.614 2.618 1.00 15.05 C ATOM 923 C ALA A 352 -31.102 7.541 3.879 1.00 15.58 C ATOM 924 O ALA A 352 -31.724 6.516 4.162 1.00 15.81 O ATOM 925 CB ALA A 352 -30.939 6.924 1.454 1.00 15.21 C ATOM 926 HA ALA A 352 -30.106 8.664 2.361 1.00 0.00 H ATOM 927 HB1 ALA A 352 -30.328 7.025 0.557 1.00 0.00 H ATOM 928 HB2 ALA A 352 -31.072 5.868 1.687 1.00 0.00 H ATOM 929 HB3 ALA A 352 -31.912 7.386 1.286 1.00 0.00 H ATOM 930 H ALA A 352 -28.737 6.080 2.444 1.00 0.00 H ATOM 931 N GLU A 353 -31.121 8.629 4.634 1.00 15.90 N ATOM 932 CA GLU A 353 -31.858 8.678 5.891 1.00 16.56 C ATOM 933 C GLU A 353 -33.232 9.294 5.674 1.00 17.16 C ATOM 934 O GLU A 353 -34.044 9.379 6.597 1.00 17.69 O ATOM 935 CB GLU A 353 -31.080 9.489 6.930 1.00 16.64 C ATOM 936 CG GLU A 353 -29.670 8.975 7.183 1.00 17.13 C ATOM 937 CD GLU A 353 -29.644 7.520 7.603 1.00 17.09 C ATOM 938 OE1 GLU A 353 -29.980 7.225 8.763 1.00 17.21 O ATOM 939 OE2 GLU A 353 -29.278 6.665 6.772 1.00 17.07 O ATOM 940 HA GLU A 353 -31.983 7.660 6.259 1.00 0.00 H ATOM 941 HB2 GLU A 353 -31.013 10.520 6.581 1.00 0.00 H ATOM 942 HB3 GLU A 353 -31.630 9.460 7.871 1.00 0.00 H ATOM 943 HG2 GLU A 353 -29.089 9.084 6.267 1.00 0.00 H ATOM 944 HG3 GLU A 353 -29.217 9.574 7.973 1.00 0.00 H ATOM 945 H GLU A 353 -30.596 9.471 4.322 1.00 0.00 H ATOM 946 N GLU A 354 -33.493 9.703 4.443 1.00 17.19 N ATOM 947 CA GLU A 354 -34.736 10.372 4.104 1.00 17.88 C ATOM 948 C GLU A 354 -35.521 9.534 3.105 1.00 18.30 C ATOM 949 O GLU A 354 -36.485 8.857 3.519 1.00 18.38 O ATOM 950 CB GLU A 354 -34.450 11.756 3.517 1.00 17.97 C ATOM 951 CG GLU A 354 -33.562 12.622 4.395 1.00 18.18 C ATOM 952 CD GLU A 354 -33.229 13.950 3.756 1.00 18.58 C ATOM 953 OE1 GLU A 354 -32.623 13.957 2.664 1.00 18.81 O ATOM 954 OE2 GLU A 354 -33.573 14.995 4.339 1.00 18.79 O ATOM 955 HA GLU A 354 -35.329 10.492 5.011 1.00 0.00 H ATOM 956 OXT GLU A 354 -35.153 9.533 1.914 1.00 18.67 O ATOM 957 HB2 GLU A 354 -33.959 11.626 2.553 1.00 0.00 H ATOM 958 HB3 GLU A 354 -35.399 12.272 3.373 1.00 0.00 H ATOM 959 HG2 GLU A 354 -34.077 12.807 5.338 1.00 0.00 H ATOM 960 HG3 GLU A 354 -32.633 12.085 4.589 1.00 0.00 H ATOM 961 H GLU A 354 -32.787 9.540 3.697 1.00 0.00 H TER 962 GLU A 354 HETATM 963 ZN ZN A 1 8.046 5.900 -4.763 1.00 0.18 ZN HETATM 964 ZN ZN A 2 -3.384 -3.376 -2.321 1.00 0.71 ZN HETATM 965 N ALA A 3 0.542 -1.141 9.119 1.00 0.24 N HETATM 966 CA ALA A 3 0.930 -1.201 7.691 1.00 0.06 C HETATM 967 C ALA A 3 2.127 -2.124 7.518 1.00 0.23 C HETATM 968 O ALA A 3 2.930 -2.275 8.438 1.00 -0.39 O HETATM 969 N ALA A 3 2.244 -2.746 6.348 1.00 -0.26 N HETATM 970 CA ALA A 3 3.357 -3.647 6.074 1.00 0.13 C HETATM 971 C ALA A 3 4.588 -2.827 5.700 1.00 0.20 C HETATM 972 O ALA A 3 5.046 -2.841 4.558 1.00 -0.39 O HETATM 973 N ALA A 3 5.095 -2.090 6.666 1.00 -0.26 N HETATM 974 CA ALA A 3 6.186 -1.166 6.436 1.00 0.16 C HETATM 975 C ALA A 3 7.519 -1.902 6.295 1.00 0.21 C HETATM 976 O ALA A 3 7.776 -2.890 6.987 1.00 -0.39 O HETATM 977 N ALA A 3 8.352 -1.406 5.396 1.00 -0.26 N HETATM 978 CA ALA A 3 9.666 -1.978 5.141 1.00 0.13 C HETATM 979 C ALA A 3 10.707 -0.871 5.151 1.00 0.20 C HETATM 980 O ALA A 3 10.404 0.273 4.823 1.00 -0.39 O HETATM 981 N ALA A 3 11.927 -1.208 5.529 1.00 -0.26 N HETATM 982 CA ALA A 3 13.024 -0.256 5.483 1.00 0.13 C HETATM 983 C ALA A 3 14.216 -0.871 4.768 1.00 0.20 C HETATM 984 O ALA A 3 15.190 -1.292 5.396 1.00 -0.39 O HETATM 985 N ALA A 3 14.125 -0.932 3.451 1.00 -0.26 N HETATM 986 CA ALA A 3 15.177 -1.513 2.635 1.00 0.16 C HETATM 987 C ALA A 3 16.200 -0.453 2.236 1.00 0.21 C HETATM 988 O ALA A 3 16.151 0.685 2.713 1.00 -0.39 O HETATM 989 N ALA A 3 17.138 -0.831 1.387 1.00 -0.26 N HETATM 990 CA ALA A 3 18.109 0.113 0.866 1.00 0.13 C HETATM 991 C ALA A 3 17.512 0.908 -0.286 1.00 0.20 C HETATM 992 O ALA A 3 16.824 0.350 -1.143 1.00 -0.39 O HETATM 993 N ALA A 3 17.756 2.213 -0.287 1.00 -0.26 N HETATM 994 CA ALA A 3 17.319 3.071 -1.381 1.00 0.13 C HETATM 995 C ALA A 3 18.123 2.743 -2.626 1.00 0.20 C HETATM 996 O ALA A 3 19.313 2.435 -2.541 1.00 -0.39 O HETATM 997 N ALA A 3 17.472 2.805 -3.768 1.00 -0.26 N HETATM 998 CA ALA A 3 18.108 2.488 -5.033 1.00 0.13 C HETATM 999 C ALA A 3 18.449 3.775 -5.768 1.00 0.20 C HETATM 1000 O ALA A 3 19.509 3.886 -6.383 1.00 -0.39 O HETATM 1001 N ALA A 3 17.534 4.740 -5.681 1.00 -0.27 N HETATM 1002 CA ALA A 3 17.695 6.050 -6.300 1.00 0.12 C HETATM 1003 C ALA A 3 17.942 5.929 -7.804 1.00 0.06 C HETATM 1004 O ALA A 3 19.112 5.996 -8.236 1.00 -0.57 O HETATM 1005 OXT ALA A 3 16.955 5.755 -8.547 1.00 -0.57 O HETATM 1006 CB ALA A 3 18.817 6.832 -5.611 1.00 0.08 C HETATM 1007 OG ALA A 3 18.482 7.095 -4.254 1.00 -0.39 O HETATM 1008 H91 ALA A 3 19.188 7.580 -3.843 1.00 0.21 H HETATM 1009 H89 ALA A 3 18.969 7.786 -6.137 1.00 0.06 H HETATM 1010 H90 ALA A 3 19.744 6.241 -5.647 1.00 0.06 H HETATM 1011 H88 ALA A 3 16.758 6.608 -6.159 1.00 0.07 H HETATM 1012 H87 ALA A 3 16.697 4.557 -5.166 1.00 0.19 H HETATM 1013 CB ALA A 3 17.176 1.631 -5.892 1.00 -0.01 C HETATM 1014 CG ALA A 3 16.585 0.440 -5.153 1.00 -0.04 C HETATM 1015 CD ALA A 3 17.661 -0.475 -4.586 1.00 -0.01 C HETATM 1016 CE ALA A 3 17.044 -1.632 -3.815 1.00 -0.04 C HETATM 1017 NZ ALA A 3 16.250 -2.528 -4.697 1.00 0.22 N HETATM 1018 H84 ALA A 3 15.860 -3.279 -4.149 1.00 0.20 H HETATM 1019 H85 ALA A 3 16.848 -2.910 -5.413 1.00 0.20 H HETATM 1020 H86 ALA A 3 15.505 -2.003 -5.126 1.00 0.20 H HETATM 1021 H82 ALA A 3 16.384 -1.227 -3.034 1.00 0.08 H HETATM 1022 H83 ALA A 3 17.850 -2.217 -3.347 1.00 0.08 H HETATM 1023 H80 ALA A 3 18.306 0.105 -3.909 1.00 0.03 H HETATM 1024 H81 ALA A 3 18.265 -0.876 -5.414 1.00 0.03 H HETATM 1025 H78 ALA A 3 15.961 -0.137 -5.852 1.00 0.03 H HETATM 1026 H79 ALA A 3 15.962 0.810 -4.325 1.00 0.03 H HETATM 1027 H76 ALA A 3 17.746 1.256 -6.755 1.00 0.03 H HETATM 1028 H77 ALA A 3 16.349 2.265 -6.246 1.00 0.03 H HETATM 1029 H75 ALA A 3 19.034 1.927 -4.839 1.00 0.08 H HETATM 1030 H74 ALA A 3 16.510 3.079 -3.764 1.00 0.19 H HETATM 1031 CB ALA A 3 17.511 4.547 -1.024 1.00 -0.01 C HETATM 1032 CG ALA A 3 16.725 5.009 0.193 1.00 -0.02 C HETATM 1033 CD ALA A 3 15.266 5.287 -0.132 1.00 0.06 C HETATM 1034 NE ALA A 3 15.110 6.316 -1.161 1.00 -0.27 N HETATM 1035 CZ ALA A 3 14.603 7.528 -0.936 1.00 0.29 C HETATM 1036 NH1 ALA A 3 14.115 7.844 0.261 1.00 -0.28 N HETATM 1037 H70 ALA A 3 13.725 8.783 0.427 1.00 0.26 H HETATM 1038 H71 ALA A 3 14.127 7.150 1.022 1.00 0.26 H HETATM 1039 NH2 ALA A 3 14.545 8.415 -1.925 1.00 -0.28 N HETATM 1040 H72 ALA A 3 14.921 8.176 -2.854 1.00 0.26 H HETATM 1041 H73 ALA A 3 14.124 9.341 -1.762 1.00 0.26 H HETATM 1042 H69 ALA A 3 15.411 6.089 -2.120 1.00 0.26 H HETATM 1043 H67 ALA A 3 14.758 5.623 0.784 1.00 0.07 H HETATM 1044 H68 ALA A 3 14.800 4.357 -0.489 1.00 0.07 H HETATM 1045 H65 ALA A 3 17.183 5.931 0.580 1.00 0.03 H HETATM 1046 H66 ALA A 3 16.772 4.225 0.963 1.00 0.03 H HETATM 1047 H63 ALA A 3 17.196 5.153 -1.887 1.00 0.03 H HETATM 1048 H64 ALA A 3 18.580 4.717 -0.827 1.00 0.03 H HETATM 1049 H62 ALA A 3 16.253 2.886 -1.578 1.00 0.08 H HETATM 1050 H61 ALA A 3 18.252 2.617 0.482 1.00 0.19 H HETATM 1051 CB ALA A 3 19.363 -0.615 0.409 1.00 -0.02 C HETATM 1052 H58 ALA A 3 20.088 0.114 0.017 1.00 0.03 H HETATM 1053 H59 ALA A 3 19.102 -1.334 -0.382 1.00 0.03 H HETATM 1054 H60 ALA A 3 19.806 -1.152 1.261 1.00 0.03 H HETATM 1055 H57 ALA A 3 18.383 0.812 1.669 1.00 0.08 H HETATM 1056 H56 ALA A 3 17.180 -1.787 1.097 1.00 0.19 H HETATM 1057 CB ALA A 3 14.590 -2.172 1.369 1.00 0.09 C HETATM 1058 OG1 ALA A 3 13.683 -1.266 0.723 1.00 -0.39 O HETATM 1059 H52 ALA A 3 13.326 -1.678 -0.055 1.00 0.21 H HETATM 1060 CG2 ALA A 3 13.864 -3.467 1.709 1.00 -0.03 C HETATM 1061 H53 ALA A 3 13.458 -3.912 0.789 1.00 0.03 H HETATM 1062 H54 ALA A 3 13.041 -3.254 2.407 1.00 0.03 H HETATM 1063 H55 ALA A 3 14.569 -4.171 2.176 1.00 0.03 H HETATM 1064 H51 ALA A 3 15.415 -2.402 0.679 1.00 0.06 H HETATM 1065 H50 ALA A 3 15.687 -2.287 3.228 1.00 0.08 H HETATM 1066 H49 ALA A 3 13.308 -0.568 3.003 1.00 0.19 H HETATM 1067 CB ALA A 3 13.412 0.206 6.891 1.00 0.00 C HETATM 1068 CG ALA A 3 12.439 1.211 7.490 1.00 0.04 C HETATM 1069 CD ALA A 3 12.903 1.771 8.821 1.00 0.17 C HETATM 1070 OE1 ALA A 3 12.640 2.931 9.140 1.00 -0.40 O HETATM 1071 NE2 ALA A 3 13.574 0.954 9.618 1.00 -0.30 N HETATM 1072 H47 ALA A 3 13.900 1.278 10.506 1.00 0.18 H HETATM 1073 H48 ALA A 3 13.754 0.013 9.332 1.00 0.18 H HETATM 1074 H45 ALA A 3 11.470 0.713 7.639 1.00 0.05 H HETATM 1075 H46 ALA A 3 12.318 2.045 6.783 1.00 0.05 H HETATM 1076 H43 ALA A 3 14.408 0.671 6.843 1.00 0.03 H HETATM 1077 H44 ALA A 3 13.451 -0.675 7.548 1.00 0.03 H HETATM 1078 H42 ALA A 3 12.694 0.625 4.912 1.00 0.08 H HETATM 1079 H41 ALA A 3 12.099 -2.138 5.854 1.00 0.19 H HETATM 1080 CB ALA A 3 9.703 -2.676 3.775 1.00 -0.01 C HETATM 1081 CG ALA A 3 8.709 -3.814 3.613 1.00 -0.04 C HETATM 1082 CD ALA A 3 8.579 -4.230 2.153 1.00 -0.01 C HETATM 1083 CE ALA A 3 9.917 -4.638 1.547 1.00 -0.04 C HETATM 1084 NZ ALA A 3 10.483 -5.862 2.172 1.00 0.22 N HETATM 1085 H38 ALA A 3 11.364 -6.086 1.736 1.00 0.20 H HETATM 1086 H39 ALA A 3 9.842 -6.630 2.048 1.00 0.20 H HETATM 1087 H40 ALA A 3 10.627 -5.701 3.156 1.00 0.20 H HETATM 1088 H36 ALA A 3 10.631 -3.812 1.683 1.00 0.08 H HETATM 1089 H37 ALA A 3 9.774 -4.826 0.473 1.00 0.08 H HETATM 1090 H34 ALA A 3 8.174 -3.384 1.579 1.00 0.03 H HETATM 1091 H35 ALA A 3 7.887 -5.082 2.088 1.00 0.03 H HETATM 1092 H32 ALA A 3 7.726 -3.486 3.981 1.00 0.03 H HETATM 1093 H33 ALA A 3 9.053 -4.677 4.202 1.00 0.03 H HETATM 1094 H30 ALA A 3 10.714 -3.082 3.625 1.00 0.03 H HETATM 1095 H31 ALA A 3 9.491 -1.924 3.001 1.00 0.03 H HETATM 1096 H29 ALA A 3 9.899 -2.710 5.928 1.00 0.08 H HETATM 1097 H28 ALA A 3 8.068 -0.605 4.870 1.00 0.19 H HETATM 1098 CB ALA A 3 6.272 -0.162 7.594 1.00 0.09 C HETATM 1099 OG1 ALA A 3 4.949 0.157 8.043 1.00 -0.39 O HETATM 1100 H24 ALA A 3 4.517 -0.635 8.340 1.00 0.21 H HETATM 1101 CG2 ALA A 3 6.972 1.115 7.165 1.00 -0.03 C HETATM 1102 H25 ALA A 3 7.017 1.812 8.015 1.00 0.03 H HETATM 1103 H26 ALA A 3 6.413 1.580 6.339 1.00 0.03 H HETATM 1104 H27 ALA A 3 7.993 0.879 6.830 1.00 0.03 H HETATM 1105 H23 ALA A 3 6.837 -0.619 8.420 1.00 0.06 H HETATM 1106 H22 ALA A 3 5.988 -0.617 5.503 1.00 0.08 H HETATM 1107 H21 ALA A 3 4.715 -2.171 7.587 1.00 0.19 H HETATM 1108 CB ALA A 3 2.988 -4.619 4.947 1.00 -0.01 C HETATM 1109 CG ALA A 3 3.936 -5.803 4.809 1.00 -0.02 C HETATM 1110 CD ALA A 3 3.535 -6.715 3.660 1.00 0.06 C HETATM 1111 NE ALA A 3 2.090 -6.938 3.586 1.00 -0.27 N HETATM 1112 CZ ALA A 3 1.406 -7.732 4.412 1.00 0.29 C HETATM 1113 NH1 ALA A 3 2.028 -8.398 5.374 1.00 -0.28 N HETATM 1114 H17 ALA A 3 1.492 -9.009 6.007 1.00 0.26 H HETATM 1115 H18 ALA A 3 3.047 -8.305 5.489 1.00 0.26 H HETATM 1116 NH2 ALA A 3 0.096 -7.874 4.261 1.00 -0.28 N HETATM 1117 H19 ALA A 3 -0.395 -7.360 3.516 1.00 0.26 H HETATM 1118 H20 ALA A 3 -0.430 -8.498 4.889 1.00 0.26 H HETATM 1119 H16 ALA A 3 1.566 -6.449 2.846 1.00 0.26 H HETATM 1120 H14 ALA A 3 4.034 -7.686 3.793 1.00 0.07 H HETATM 1121 H15 ALA A 3 3.868 -6.258 2.717 1.00 0.07 H HETATM 1122 H12 ALA A 3 3.922 -6.381 5.745 1.00 0.03 H HETATM 1123 H13 ALA A 3 4.953 -5.426 4.626 1.00 0.03 H HETATM 1124 H10 ALA A 3 2.990 -4.063 3.998 1.00 0.03 H HETATM 1125 H11 ALA A 3 1.978 -5.007 5.143 1.00 0.03 H HETATM 1126 H9 ALA A 3 3.579 -4.228 6.981 1.00 0.08 H HETATM 1127 H8 ALA A 3 1.554 -2.592 5.641 1.00 0.19 H HETATM 1128 CB ALA A 3 1.247 0.195 7.174 1.00 -0.00 C HETATM 1129 H5 ALA A 3 1.534 0.137 6.114 1.00 0.03 H HETATM 1130 H6 ALA A 3 2.078 0.622 7.755 1.00 0.03 H HETATM 1131 H7 ALA A 3 0.359 0.836 7.279 1.00 0.03 H HETATM 1132 H4 ALA A 3 0.087 -1.606 7.112 1.00 0.11 H HETATM 1133 H1 ALA A 3 -0.251 -0.528 9.226 1.00 0.20 H HETATM 1134 H2 ALA A 3 1.314 -0.789 9.663 1.00 0.20 H HETATM 1135 H3 ALA A 3 0.298 -2.065 9.440 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 147 146 151 963 CONECT 184 183 188 963 CONECT 309 308 313 964 CONECT 339 338 343 964 CONECT 419 418 421 963 CONECT 463 462 467 963 CONECT 703 702 707 964 CONECT 736 735 740 964 CONECT 963 147 184 419 463 CONECT 964 309 339 703 736 CONECT 965 966 1133 1134 1135 CONECT 966 965 967 1128 1132 CONECT 967 966 968 969 CONECT 968 967 CONECT 969 967 970 1127 CONECT 970 969 971 1108 1126 CONECT 971 970 972 973 CONECT 972 971 CONECT 973 971 974 1107 CONECT 974 973 975 1098 1106 CONECT 975 974 976 977 CONECT 976 975 CONECT 977 975 978 1097 CONECT 978 977 979 1080 1096 CONECT 979 978 980 981 CONECT 980 979 CONECT 981 979 982 1079 CONECT 982 981 983 1067 1078 CONECT 983 982 984 985 CONECT 984 983 CONECT 985 983 986 1066 CONECT 986 985 987 1057 1065 CONECT 987 986 988 989 CONECT 988 987 CONECT 989 987 990 1056 CONECT 990 989 991 1051 1055 CONECT 991 990 992 993 CONECT 992 991 CONECT 993 991 994 1050 CONECT 994 993 995 1031 1049 CONECT 995 994 996 997 CONECT 996 995 CONECT 997 995 998 1030 CONECT 998 997 999 1013 1029 CONECT 999 998 1000 1001 CONECT 1000 999 CONECT 1001 999 1002 1012 CONECT 1002 1001 1003 1006 1011 CONECT 1003 1002 1004 1005 CONECT 1004 1003 CONECT 1005 1003 CONECT 1006 1002 1007 1009 1010 CONECT 1007 1006 1008 CONECT 1008 1007 CONECT 1009 1006 CONECT 1010 1006 CONECT 1011 1002 CONECT 1012 1001 CONECT 1013 998 1014 1027 1028 CONECT 1014 1013 1015 1025 1026 CONECT 1015 1014 1016 1023 1024 CONECT 1016 1015 1017 1021 1022 CONECT 1017 1016 1018 1019 1020 CONECT 1018 1017 CONECT 1019 1017 CONECT 1020 1017 CONECT 1021 1016 CONECT 1022 1016 CONECT 1023 1015 CONECT 1024 1015 CONECT 1025 1014 CONECT 1026 1014 CONECT 1027 1013 CONECT 1028 1013 CONECT 1029 998 CONECT 1030 997 CONECT 1031 994 1032 1047 1048 CONECT 1032 1031 1033 1045 1046 CONECT 1033 1032 1034 1043 1044 CONECT 1034 1033 1035 1042 CONECT 1035 1034 1036 1039 CONECT 1036 1035 1037 1038 CONECT 1037 1036 CONECT 1038 1036 CONECT 1039 1035 1040 1041 CONECT 1040 1039 CONECT 1041 1039 CONECT 1042 1034 CONECT 1043 1033 CONECT 1044 1033 CONECT 1045 1032 CONECT 1046 1032 CONECT 1047 1031 CONECT 1048 1031 CONECT 1049 994 CONECT 1050 993 CONECT 1051 990 1052 1053 1054 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1051 CONECT 1055 990 CONECT 1056 989 CONECT 1057 986 1058 1060 1064 CONECT 1058 1057 1059 CONECT 1059 1058 CONECT 1060 1057 1061 1062 1063 CONECT 1061 1060 CONECT 1062 1060 CONECT 1063 1060 CONECT 1064 1057 CONECT 1065 986 CONECT 1066 985 CONECT 1067 982 1068 1076 1077 CONECT 1068 1067 1069 1074 1075 CONECT 1069 1068 1070 1071 CONECT 1070 1069 CONECT 1071 1069 1072 1073 CONECT 1072 1071 CONECT 1073 1071 CONECT 1074 1068 CONECT 1075 1068 CONECT 1076 1067 CONECT 1077 1067 CONECT 1078 982 CONECT 1079 981 CONECT 1080 978 1081 1094 1095 CONECT 1081 1080 1082 1092 1093 CONECT 1082 1081 1083 1090 1091 CONECT 1083 1082 1084 1088 1089 CONECT 1084 1083 1085 1086 1087 CONECT 1085 1084 CONECT 1086 1084 CONECT 1087 1084 CONECT 1088 1083 CONECT 1089 1083 CONECT 1090 1082 CONECT 1091 1082 CONECT 1092 1081 CONECT 1093 1081 CONECT 1094 1080 CONECT 1095 1080 CONECT 1096 978 CONECT 1097 977 CONECT 1098 974 1099 1101 1105 CONECT 1099 1098 1100 CONECT 1100 1099 CONECT 1101 1098 1102 1103 1104 CONECT 1102 1101 CONECT 1103 1101 CONECT 1104 1101 CONECT 1105 1098 CONECT 1106 974 CONECT 1107 973 CONECT 1108 970 1109 1124 1125 CONECT 1109 1108 1110 1122 1123 CONECT 1110 1109 1111 1120 1121 CONECT 1111 1110 1112 1119 CONECT 1112 1111 1113 1116 CONECT 1113 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1112 1117 1118 CONECT 1117 1116 CONECT 1118 1116 CONECT 1119 1111 CONECT 1120 1110 CONECT 1121 1110 CONECT 1122 1109 CONECT 1123 1109 CONECT 1124 1108 CONECT 1125 1108 CONECT 1126 970 CONECT 1127 969 CONECT 1128 966 1129 1130 1131 CONECT 1129 1128 CONECT 1130 1128 CONECT 1131 1128 CONECT 1132 966 CONECT 1133 965 CONECT 1134 965 CONECT 1135 965 MASTER 0 0 0 0 0 0 0 0 1134 1 185 6 END
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PDBbind
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RCSB PDB
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PDBbind
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RCSB PDB
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PDBbind
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RCSB PDB
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
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PDBbind
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PDBbind
10-mer
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PDBbind
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PDBbind
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10-mer
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10-mer
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10-mer
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4zhl
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10-mer
4zhm
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10-mer
5ab0
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5aei
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5azg
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10-mer
5c0m
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PDBbind
10-mer
5c11
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10-mer
5c13
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5gp7
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5gs4
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10-mer
5gtr
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PDBbind
10-mer
5iaw
RCSB PDB
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10-mer
5j31
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10-mer
5jzi
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10-mer
5myo
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10-mer
5n1y
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PDBbind
10-mer
5nx2
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PDBbind
10-mer
5t6z
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PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
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PDBbind
10-mer
5vnb
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PDBbind
10-mer
5w7i
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PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
2ke1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
First PHD Finger of Autoimmune Regulator
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=5uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Nucleic Acids Res. Vol. 37: pp. 2951-2961
Ligand Properties
Formula
C
4
6
H
9
2
N
1
9
O
1
5
Molecular Weight
1151.340
Exact Mass
1150.700
No. of atoms
172
No. of bonds
171
Polar Surface Area
617.92
LOGP Value
-6.50 (
Computed with XLOGP3
)
-8.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 52
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCC[NH3+])CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C46H87N19O15/c1-22(49)35(70)58-29(14-10-20-56-46(53)54)40(75)65-34(25(4)68)43(78)62-27(12-6-8-18-48)37(72)61-30(15-16-32(50)69)41(76)64-33(24(3)67)42(77)57-23(2)36(71)59-28(13-9-19-55-45(51)52)38(73)60-26(11-5-7-17-47)39(74)63-31(21-66)44(79)80/h22-31,33-34,66-68H,5-21,47-49H2,1-4H3,(H2,50,69)(H,57,77)(H,58,70)(H,59,71)(H,60,73)(H,61,72)(H,62,78)(H,63,74)(H,64,76)(H,65,75)(H,79,80)(H4,51,52,55)(H4,53,54,56)/p+5/t22-,23-,24+,25+,26-,27-,28-,29-,30-,31-,33-,34-/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):
O43918
Entrez Gene ID
NCBI Entrez Gene ID:
326
ASD
Information of known allosteric effects of PDB entries
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