Browse entries in the PDBbind-CN Database
HEADER 2EZ5_COMPLEX COMPND 2EZ5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 W 46 GLY PRO LEU GLY SER GLY GLU GLU GLU PRO LEU PRO PRO SEQRES 2 W 46 ARG TRP SER MET GLN VAL ALA PRO ASN GLY ARG THR PHE SEQRES 3 W 46 PHE ILE ASP HIS ALA SER ARG ARG THR THR TRP ILE ASP SEQRES 4 W 46 PRO ARG ASN GLY ARG ALA SER HET THR A 47 163 ATOM 1 N GLY W 521 -12.461 -5.832 5.494 1.00 0.00 N ATOM 2 CA GLY W 521 -12.550 -5.439 6.927 1.00 0.00 C ATOM 3 C GLY W 521 -13.582 -4.353 7.169 1.00 0.00 C ATOM 4 O GLY W 521 -13.247 -3.274 7.659 1.00 0.00 O ATOM 5 HA3 GLY W 521 -11.575 -5.074 7.251 1.00 0.00 H ATOM 6 HA2 GLY W 521 -12.821 -6.316 7.514 1.00 0.00 H ATOM 7 HN3 GLY W 521 -12.194 -5.004 4.925 1.00 0.00 H ATOM 8 HN2 GLY W 521 -13.384 -6.190 5.176 1.00 0.00 H ATOM 9 HN1 GLY W 521 -11.742 -6.576 5.384 1.00 0.00 H ATOM 10 N PRO W 522 -14.857 -4.610 6.832 1.00 0.00 N ATOM 11 CA PRO W 522 -15.937 -3.636 7.021 1.00 0.00 C ATOM 12 C PRO W 522 -16.189 -3.329 8.493 1.00 0.00 C ATOM 13 O PRO W 522 -16.131 -4.219 9.342 1.00 0.00 O ATOM 14 CB PRO W 522 -17.157 -4.322 6.399 1.00 0.00 C ATOM 15 CG PRO W 522 -16.833 -5.776 6.425 1.00 0.00 C ATOM 16 CD PRO W 522 -15.345 -5.869 6.242 1.00 0.00 C ATOM 17 HA PRO W 522 -15.699 -2.674 6.566 1.00 0.00 H ATOM 18 HD3 PRO W 522 -14.939 -6.732 6.769 1.00 0.00 H ATOM 19 HD2 PRO W 522 -15.084 -5.934 5.186 1.00 0.00 H ATOM 20 HG3 PRO W 522 -17.348 -6.294 5.616 1.00 0.00 H ATOM 21 HG2 PRO W 522 -17.126 -6.213 7.380 1.00 0.00 H ATOM 22 HB2 PRO W 522 -18.053 -4.118 6.985 1.00 0.00 H ATOM 23 HB3 PRO W 522 -17.309 -3.981 5.375 1.00 0.00 H ATOM 24 N LEU W 523 -16.468 -2.063 8.788 1.00 0.00 N ATOM 25 CA LEU W 523 -16.728 -1.634 10.158 1.00 0.00 C ATOM 26 C LEU W 523 -15.446 -1.640 10.984 1.00 0.00 C ATOM 27 O LEU W 523 -14.911 -0.584 11.324 1.00 0.00 O ATOM 28 CB LEU W 523 -17.777 -2.535 10.812 1.00 0.00 C ATOM 29 CG LEU W 523 -18.834 -1.800 11.637 1.00 0.00 C ATOM 30 CD1 LEU W 523 -18.183 -1.035 12.779 1.00 0.00 C ATOM 31 CD2 LEU W 523 -19.638 -0.858 10.753 1.00 0.00 C ATOM 32 HA LEU W 523 -17.111 -0.614 10.123 1.00 0.00 H ATOM 33 HB2 LEU W 523 -18.287 -3.088 10.024 1.00 0.00 H ATOM 34 HB3 LEU W 523 -17.260 -3.234 11.469 1.00 0.00 H ATOM 35 HG LEU W 523 -19.514 -2.538 12.062 1.00 0.00 H ATOM 36 HD21 LEU W 523 -18.969 -0.126 10.301 1.00 0.00 H ATOM 37 HD22 LEU W 523 -20.134 -1.431 9.970 1.00 0.00 H ATOM 38 HD23 LEU W 523 -20.385 -0.344 11.357 1.00 0.00 H ATOM 39 HD11 LEU W 523 -17.651 -1.733 13.426 1.00 0.00 H ATOM 40 HD12 LEU W 523 -17.481 -0.307 12.373 1.00 0.00 H ATOM 41 HD13 LEU W 523 -18.952 -0.519 13.354 1.00 0.00 H ATOM 42 H LEU W 523 -16.502 -1.360 8.022 1.00 0.00 H ATOM 43 N GLY W 524 -14.958 -2.834 11.304 1.00 0.00 N ATOM 44 CA GLY W 524 -13.742 -2.950 12.087 1.00 0.00 C ATOM 45 C GLY W 524 -12.522 -2.448 11.340 1.00 0.00 C ATOM 46 O GLY W 524 -11.817 -3.226 10.697 1.00 0.00 O ATOM 47 HA3 GLY W 524 -13.589 -3.998 12.343 1.00 0.00 H ATOM 48 HA2 GLY W 524 -13.857 -2.367 13.001 1.00 0.00 H ATOM 49 H GLY W 524 -15.452 -3.693 10.990 1.00 0.00 H ATOM 50 N SER W 525 -12.272 -1.145 11.424 1.00 0.00 N ATOM 51 CA SER W 525 -11.129 -0.541 10.749 1.00 0.00 C ATOM 52 C SER W 525 -11.239 -0.713 9.238 1.00 0.00 C ATOM 53 O SER W 525 -12.134 -1.400 8.745 1.00 0.00 O ATOM 54 CB SER W 525 -9.825 -1.165 11.251 1.00 0.00 C ATOM 55 OG SER W 525 -10.050 -1.964 12.399 1.00 0.00 O ATOM 56 HA SER W 525 -11.125 0.525 10.977 1.00 0.00 H ATOM 57 HB2 SER W 525 -9.123 -0.370 11.503 1.00 0.00 H ATOM 58 HB3 SER W 525 -9.401 -1.786 10.462 1.00 0.00 H ATOM 59 HG SER W 525 -10.683 -2.691 12.175 1.00 0.00 H ATOM 60 H SER W 525 -12.907 -0.542 11.985 1.00 0.00 H ATOM 61 N GLY W 526 -10.324 -0.084 8.507 1.00 0.00 N ATOM 62 CA GLY W 526 -10.337 -0.181 7.059 1.00 0.00 C ATOM 63 C GLY W 526 -11.216 0.873 6.415 1.00 0.00 C ATOM 64 O GLY W 526 -12.275 0.560 5.870 1.00 0.00 O ATOM 65 HA3 GLY W 526 -10.709 -1.166 6.778 1.00 0.00 H ATOM 66 HA2 GLY W 526 -9.318 -0.060 6.691 1.00 0.00 H ATOM 67 H GLY W 526 -9.591 0.484 8.978 1.00 0.00 H ATOM 68 N GLU W 527 -10.777 2.126 6.478 1.00 0.00 N ATOM 69 CA GLU W 527 -11.531 3.231 5.897 1.00 0.00 C ATOM 70 C GLU W 527 -10.810 3.800 4.679 1.00 0.00 C ATOM 71 O GLU W 527 -10.598 5.008 4.579 1.00 0.00 O ATOM 72 CB GLU W 527 -11.746 4.330 6.939 1.00 0.00 C ATOM 73 CG GLU W 527 -13.182 4.824 7.016 1.00 0.00 C ATOM 74 CD GLU W 527 -13.475 5.562 8.308 1.00 0.00 C ATOM 75 OE1 GLU W 527 -12.564 6.245 8.820 1.00 0.00 O ATOM 76 OE2 GLU W 527 -14.615 5.457 8.807 1.00 0.00 O ATOM 77 HA GLU W 527 -12.500 2.850 5.576 1.00 0.00 H ATOM 78 HB2 GLU W 527 -11.463 3.939 7.916 1.00 0.00 H ATOM 79 HB3 GLU W 527 -11.104 5.174 6.687 1.00 0.00 H ATOM 80 HG2 GLU W 527 -13.365 5.498 6.179 1.00 0.00 H ATOM 81 HG3 GLU W 527 -13.851 3.967 6.944 1.00 0.00 H ATOM 82 H GLU W 527 -9.873 2.323 6.953 1.00 0.00 H ATOM 83 N GLU W 528 -10.435 2.920 3.756 1.00 0.00 N ATOM 84 CA GLU W 528 -9.737 3.333 2.544 1.00 0.00 C ATOM 85 C GLU W 528 -9.863 2.270 1.457 1.00 0.00 C ATOM 86 O GLU W 528 -10.447 1.209 1.678 1.00 0.00 O ATOM 87 CB GLU W 528 -8.261 3.596 2.845 1.00 0.00 C ATOM 88 CG GLU W 528 -7.808 5.004 2.495 1.00 0.00 C ATOM 89 CD GLU W 528 -7.740 5.912 3.707 1.00 0.00 C ATOM 90 OE1 GLU W 528 -6.772 5.789 4.487 1.00 0.00 O ATOM 91 OE2 GLU W 528 -8.654 6.745 3.876 1.00 0.00 O ATOM 92 HA GLU W 528 -10.197 4.253 2.185 1.00 0.00 H ATOM 93 HB2 GLU W 528 -8.092 3.435 3.910 1.00 0.00 H ATOM 94 HB3 GLU W 528 -7.661 2.889 2.272 1.00 0.00 H ATOM 95 HG2 GLU W 528 -6.818 4.950 2.043 1.00 0.00 H ATOM 96 HG3 GLU W 528 -8.511 5.429 1.779 1.00 0.00 H ATOM 97 H GLU W 528 -10.645 1.912 3.902 1.00 0.00 H ATOM 98 N GLU W 529 -9.312 2.562 0.284 1.00 0.00 N ATOM 99 CA GLU W 529 -9.362 1.629 -0.835 1.00 0.00 C ATOM 100 C GLU W 529 -8.563 0.364 -0.522 1.00 0.00 C ATOM 101 O GLU W 529 -7.342 0.416 -0.380 1.00 0.00 O ATOM 102 CB GLU W 529 -8.810 2.286 -2.099 1.00 0.00 C ATOM 103 CG GLU W 529 -9.682 2.071 -3.325 1.00 0.00 C ATOM 104 CD GLU W 529 -11.137 2.413 -3.071 1.00 0.00 C ATOM 105 OE1 GLU W 529 -11.431 3.598 -2.805 1.00 0.00 O ATOM 106 OE2 GLU W 529 -11.984 1.497 -3.137 1.00 0.00 O ATOM 107 HA GLU W 529 -10.404 1.354 -1.000 1.00 0.00 H ATOM 108 HB2 GLU W 529 -8.723 3.358 -1.921 1.00 0.00 H ATOM 109 HB3 GLU W 529 -7.822 1.871 -2.301 1.00 0.00 H ATOM 110 HG2 GLU W 529 -9.311 2.701 -4.133 1.00 0.00 H ATOM 111 HG3 GLU W 529 -9.616 1.024 -3.622 1.00 0.00 H ATOM 112 H GLU W 529 -8.834 3.477 0.161 1.00 0.00 H ATOM 113 N PRO W 530 -9.238 -0.794 -0.409 1.00 0.00 N ATOM 114 CA PRO W 530 -8.573 -2.066 -0.110 1.00 0.00 C ATOM 115 C PRO W 530 -7.343 -2.304 -0.983 1.00 0.00 C ATOM 116 O PRO W 530 -7.373 -2.076 -2.192 1.00 0.00 O ATOM 117 CB PRO W 530 -9.653 -3.103 -0.415 1.00 0.00 C ATOM 118 CG PRO W 530 -10.936 -2.390 -0.169 1.00 0.00 C ATOM 119 CD PRO W 530 -10.697 -0.957 -0.560 1.00 0.00 C ATOM 120 HA PRO W 530 -8.200 -2.101 0.914 1.00 0.00 H ATOM 121 HD3 PRO W 530 -11.004 -0.778 -1.590 1.00 0.00 H ATOM 122 HD2 PRO W 530 -11.235 -0.278 0.101 1.00 0.00 H ATOM 123 HG3 PRO W 530 -11.210 -2.455 0.884 1.00 0.00 H ATOM 124 HG2 PRO W 530 -11.732 -2.821 -0.777 1.00 0.00 H ATOM 125 HB2 PRO W 530 -9.588 -3.433 -1.452 1.00 0.00 H ATOM 126 HB3 PRO W 530 -9.558 -3.964 0.246 1.00 0.00 H ATOM 127 N LEU W 531 -6.265 -2.778 -0.362 1.00 0.00 N ATOM 128 CA LEU W 531 -5.027 -3.063 -1.083 1.00 0.00 C ATOM 129 C LEU W 531 -5.231 -4.250 -2.017 1.00 0.00 C ATOM 130 O LEU W 531 -5.910 -5.214 -1.666 1.00 0.00 O ATOM 131 CB LEU W 531 -3.893 -3.356 -0.097 1.00 0.00 C ATOM 132 CG LEU W 531 -3.888 -2.482 1.160 1.00 0.00 C ATOM 133 CD1 LEU W 531 -3.829 -3.346 2.410 1.00 0.00 C ATOM 134 CD2 LEU W 531 -2.722 -1.508 1.125 1.00 0.00 C ATOM 135 HA LEU W 531 -4.756 -2.189 -1.675 1.00 0.00 H ATOM 136 HB2 LEU W 531 -3.976 -4.397 0.215 1.00 0.00 H ATOM 137 HB3 LEU W 531 -2.946 -3.208 -0.616 1.00 0.00 H ATOM 138 HG LEU W 531 -4.814 -1.907 1.185 1.00 0.00 H ATOM 139 HD21 LEU W 531 -1.786 -2.065 1.076 1.00 0.00 H ATOM 140 HD22 LEU W 531 -2.811 -0.868 0.248 1.00 0.00 H ATOM 141 HD23 LEU W 531 -2.735 -0.895 2.026 1.00 0.00 H ATOM 142 HD11 LEU W 531 -4.699 -4.002 2.438 1.00 0.00 H ATOM 143 HD12 LEU W 531 -2.920 -3.947 2.392 1.00 0.00 H ATOM 144 HD13 LEU W 531 -3.826 -2.706 3.293 1.00 0.00 H ATOM 145 H LEU W 531 -6.305 -2.950 0.663 1.00 0.00 H ATOM 146 N PRO W 532 -4.656 -4.195 -3.228 1.00 0.00 N ATOM 147 CA PRO W 532 -4.797 -5.272 -4.208 1.00 0.00 C ATOM 148 C PRO W 532 -4.508 -6.651 -3.614 1.00 0.00 C ATOM 149 O PRO W 532 -4.206 -6.777 -2.427 1.00 0.00 O ATOM 150 CB PRO W 532 -3.779 -4.902 -5.284 1.00 0.00 C ATOM 151 CG PRO W 532 -3.688 -3.420 -5.203 1.00 0.00 C ATOM 152 CD PRO W 532 -3.835 -3.083 -3.744 1.00 0.00 C ATOM 153 HA PRO W 532 -5.816 -5.354 -4.586 1.00 0.00 H ATOM 154 HD3 PRO W 532 -2.864 -3.050 -3.249 1.00 0.00 H ATOM 155 HD2 PRO W 532 -4.342 -2.127 -3.611 1.00 0.00 H ATOM 156 HG3 PRO W 532 -4.487 -2.957 -5.783 1.00 0.00 H ATOM 157 HG2 PRO W 532 -2.724 -3.077 -5.577 1.00 0.00 H ATOM 158 HB2 PRO W 532 -2.812 -5.361 -5.077 1.00 0.00 H ATOM 159 HB3 PRO W 532 -4.125 -5.215 -6.269 1.00 0.00 H ATOM 160 N PRO W 533 -4.629 -7.706 -4.435 1.00 0.00 N ATOM 161 CA PRO W 533 -4.417 -9.093 -4.003 1.00 0.00 C ATOM 162 C PRO W 533 -3.182 -9.327 -3.157 1.00 0.00 C ATOM 163 O PRO W 533 -3.206 -10.117 -2.214 1.00 0.00 O ATOM 164 CB PRO W 533 -4.277 -9.840 -5.319 1.00 0.00 C ATOM 165 CG PRO W 533 -5.128 -9.080 -6.272 1.00 0.00 C ATOM 166 CD PRO W 533 -5.020 -7.636 -5.860 1.00 0.00 C ATOM 167 HA PRO W 533 -5.235 -9.413 -3.358 1.00 0.00 H ATOM 168 HD3 PRO W 533 -4.260 -7.120 -6.447 1.00 0.00 H ATOM 169 HD2 PRO W 533 -5.976 -7.126 -5.976 1.00 0.00 H ATOM 170 HG3 PRO W 533 -6.163 -9.416 -6.208 1.00 0.00 H ATOM 171 HG2 PRO W 533 -4.767 -9.212 -7.292 1.00 0.00 H ATOM 172 HB2 PRO W 533 -3.239 -9.846 -5.650 1.00 0.00 H ATOM 173 HB3 PRO W 533 -4.631 -10.866 -5.219 1.00 0.00 H ATOM 174 N ARG W 534 -2.102 -8.675 -3.513 1.00 0.00 N ATOM 175 CA ARG W 534 -0.850 -8.858 -2.795 1.00 0.00 C ATOM 176 C ARG W 534 -0.206 -7.531 -2.443 1.00 0.00 C ATOM 177 O ARG W 534 0.887 -7.217 -2.913 1.00 0.00 O ATOM 178 CB ARG W 534 0.113 -9.703 -3.630 1.00 0.00 C ATOM 179 CG ARG W 534 -0.258 -11.176 -3.670 1.00 0.00 C ATOM 180 CD ARG W 534 0.125 -11.882 -2.380 1.00 0.00 C ATOM 181 NE ARG W 534 1.451 -12.488 -2.457 1.00 0.00 N ATOM 182 CZ ARG W 534 2.055 -13.069 -1.426 1.00 0.00 C ATOM 183 NH1 ARG W 534 1.455 -13.113 -0.243 1.00 0.00 N ATOM 184 NH2 ARG W 534 3.259 -13.604 -1.574 1.00 0.00 N ATOM 185 HA ARG W 534 -1.074 -9.376 -1.862 1.00 0.00 H ATOM 186 HB2 ARG W 534 0.115 -9.319 -4.650 1.00 0.00 H ATOM 187 HB3 ARG W 534 1.113 -9.609 -3.206 1.00 0.00 H ATOM 188 HG2 ARG W 534 -1.334 -11.267 -3.818 1.00 0.00 H ATOM 189 HG3 ARG W 534 0.263 -11.650 -4.502 1.00 0.00 H ATOM 190 HD2 ARG W 534 -0.607 -12.663 -2.176 1.00 0.00 H ATOM 191 HD3 ARG W 534 0.117 -11.157 -1.566 1.00 0.00 H ATOM 192 HE ARG W 534 1.950 -12.464 -3.369 1.00 0.00 H ATOM 193 HH12 ARG W 534 1.928 -13.568 0.564 1.00 0.00 H ATOM 194 HH11 ARG W 534 0.511 -12.693 -0.123 1.00 0.00 H ATOM 195 HH22 ARG W 534 3.729 -14.058 -0.765 1.00 0.00 H ATOM 196 HH21 ARG W 534 3.733 -13.570 -2.499 1.00 0.00 H ATOM 197 H ARG W 534 -2.141 -8.019 -4.319 1.00 0.00 H ATOM 198 N TRP W 535 -0.884 -6.754 -1.613 1.00 0.00 N ATOM 199 CA TRP W 535 -0.350 -5.461 -1.210 1.00 0.00 C ATOM 200 C TRP W 535 -0.802 -5.049 0.186 1.00 0.00 C ATOM 201 O TRP W 535 -1.774 -5.576 0.726 1.00 0.00 O ATOM 202 CB TRP W 535 -0.743 -4.392 -2.221 1.00 0.00 C ATOM 203 CG TRP W 535 -0.040 -4.546 -3.529 1.00 0.00 C ATOM 204 CD1 TRP W 535 -0.355 -5.419 -4.528 1.00 0.00 C ATOM 205 CD2 TRP W 535 1.106 -3.817 -3.976 1.00 0.00 C ATOM 206 NE1 TRP W 535 0.514 -5.268 -5.579 1.00 0.00 N ATOM 207 CE2 TRP W 535 1.422 -4.290 -5.264 1.00 0.00 C ATOM 208 CE3 TRP W 535 1.893 -2.804 -3.417 1.00 0.00 C ATOM 209 CZ2 TRP W 535 2.489 -3.785 -5.999 1.00 0.00 C ATOM 210 CZ3 TRP W 535 2.953 -2.305 -4.150 1.00 0.00 C ATOM 211 CH2 TRP W 535 3.243 -2.796 -5.429 1.00 0.00 C ATOM 212 HA TRP W 535 0.735 -5.560 -1.181 1.00 0.00 H ATOM 213 HB2 TRP W 535 -1.818 -4.454 -2.393 1.00 0.00 H ATOM 214 HB3 TRP W 535 -0.498 -3.414 -1.807 1.00 0.00 H ATOM 215 HE1 TRP W 535 0.488 -5.807 -6.468 1.00 0.00 H ATOM 216 HD1 TRP W 535 -1.178 -6.133 -4.496 1.00 0.00 H ATOM 217 HZ2 TRP W 535 2.717 -4.164 -6.995 1.00 0.00 H ATOM 218 HH2 TRP W 535 4.086 -2.382 -5.981 1.00 0.00 H ATOM 219 HZ3 TRP W 535 3.574 -1.516 -3.725 1.00 0.00 H ATOM 220 HE3 TRP W 535 1.674 -2.416 -2.422 1.00 0.00 H ATOM 221 H TRP W 535 -1.805 -7.069 -1.246 1.00 0.00 H ATOM 222 N SER W 536 -0.077 -4.089 0.752 1.00 0.00 N ATOM 223 CA SER W 536 -0.369 -3.567 2.081 1.00 0.00 C ATOM 224 C SER W 536 -0.046 -2.077 2.139 1.00 0.00 C ATOM 225 O SER W 536 0.249 -1.461 1.115 1.00 0.00 O ATOM 226 CB SER W 536 0.442 -4.323 3.136 1.00 0.00 C ATOM 227 OG SER W 536 -0.273 -5.447 3.622 1.00 0.00 O ATOM 228 HA SER W 536 -1.430 -3.707 2.289 1.00 0.00 H ATOM 229 HB2 SER W 536 0.658 -3.652 3.967 1.00 0.00 H ATOM 230 HB3 SER W 536 1.378 -4.661 2.691 1.00 0.00 H ATOM 231 HG SER W 536 -0.468 -6.062 2.871 1.00 0.00 H ATOM 232 H SER W 536 0.729 -3.695 0.226 1.00 0.00 H ATOM 233 N MET W 537 -0.102 -1.498 3.332 1.00 0.00 N ATOM 234 CA MET W 537 0.188 -0.078 3.496 1.00 0.00 C ATOM 235 C MET W 537 0.743 0.218 4.884 1.00 0.00 C ATOM 236 O MET W 537 0.113 -0.088 5.897 1.00 0.00 O ATOM 237 CB MET W 537 -1.070 0.756 3.247 1.00 0.00 C ATOM 238 CG MET W 537 -1.173 1.292 1.828 1.00 0.00 C ATOM 239 SD MET W 537 -1.135 3.094 1.761 1.00 0.00 S ATOM 240 CE MET W 537 -2.764 3.446 1.103 1.00 0.00 C ATOM 241 HA MET W 537 0.947 0.192 2.762 1.00 0.00 H ATOM 242 HB2 MET W 537 -1.942 0.133 3.444 1.00 0.00 H ATOM 243 HB3 MET W 537 -1.066 1.601 3.936 1.00 0.00 H ATOM 244 HG2 MET W 537 -2.110 0.946 1.391 1.00 0.00 H ATOM 245 HG3 MET W 537 -0.337 0.903 1.246 1.00 0.00 H ATOM 246 HE1 MET W 537 -2.869 2.976 0.125 1.00 0.00 H ATOM 247 HE2 MET W 537 -3.521 3.051 1.780 1.00 0.00 H ATOM 248 HE3 MET W 537 -2.889 4.524 1.005 1.00 0.00 H ATOM 249 H MET W 537 -0.357 -2.067 4.164 1.00 0.00 H ATOM 250 N GLN W 538 1.926 0.822 4.920 1.00 0.00 N ATOM 251 CA GLN W 538 2.573 1.171 6.179 1.00 0.00 C ATOM 252 C GLN W 538 3.330 2.487 6.047 1.00 0.00 C ATOM 253 O GLN W 538 3.956 2.753 5.022 1.00 0.00 O ATOM 254 CB GLN W 538 3.532 0.061 6.612 1.00 0.00 C ATOM 255 CG GLN W 538 2.944 -0.880 7.650 1.00 0.00 C ATOM 256 CD GLN W 538 3.907 -1.175 8.785 1.00 0.00 C ATOM 257 OE1 GLN W 538 3.649 -0.830 9.938 1.00 0.00 O ATOM 258 NE2 GLN W 538 5.024 -1.817 8.462 1.00 0.00 N ATOM 259 HA GLN W 538 1.799 1.287 6.938 1.00 0.00 H ATOM 260 HB2 GLN W 538 3.804 -0.522 5.732 1.00 0.00 H ATOM 261 HB3 GLN W 538 4.426 0.522 7.032 1.00 0.00 H ATOM 262 HG2 GLN W 538 2.045 -0.424 8.065 1.00 0.00 H ATOM 263 HG3 GLN W 538 2.682 -1.819 7.162 1.00 0.00 H ATOM 264 HE22 GLN W 538 5.200 -2.089 7.474 1.00 0.00 H ATOM 265 HE21 GLN W 538 5.722 -2.047 9.197 1.00 0.00 H ATOM 266 H GLN W 538 2.404 1.052 4.025 1.00 0.00 H ATOM 267 N VAL W 539 3.267 3.307 7.089 1.00 0.00 N ATOM 268 CA VAL W 539 3.948 4.594 7.086 1.00 0.00 C ATOM 269 C VAL W 539 5.436 4.429 7.377 1.00 0.00 C ATOM 270 O VAL W 539 5.823 3.676 8.271 1.00 0.00 O ATOM 271 CB VAL W 539 3.337 5.556 8.122 1.00 0.00 C ATOM 272 CG1 VAL W 539 3.398 4.948 9.515 1.00 0.00 C ATOM 273 CG2 VAL W 539 4.047 6.901 8.087 1.00 0.00 C ATOM 274 HA VAL W 539 3.820 5.017 6.090 1.00 0.00 H ATOM 275 HB VAL W 539 2.290 5.718 7.867 1.00 0.00 H ATOM 276 HG11 VAL W 539 2.839 4.013 9.527 1.00 0.00 H ATOM 277 HG12 VAL W 539 4.437 4.755 9.780 1.00 0.00 H ATOM 278 HG13 VAL W 539 2.962 5.643 10.233 1.00 0.00 H ATOM 279 HG21 VAL W 539 5.103 6.759 8.316 1.00 0.00 H ATOM 280 HG22 VAL W 539 3.945 7.339 7.094 1.00 0.00 H ATOM 281 HG23 VAL W 539 3.600 7.566 8.826 1.00 0.00 H ATOM 282 H VAL W 539 2.719 3.024 7.926 1.00 0.00 H ATOM 283 N ALA W 540 6.264 5.136 6.617 1.00 0.00 N ATOM 284 CA ALA W 540 7.710 5.068 6.794 1.00 0.00 C ATOM 285 C ALA W 540 8.224 6.283 7.561 1.00 0.00 C ATOM 286 O ALA W 540 7.496 7.256 7.757 1.00 0.00 O ATOM 287 CB ALA W 540 8.401 4.958 5.443 1.00 0.00 C ATOM 288 HA ALA W 540 7.942 4.178 7.379 1.00 0.00 H ATOM 289 HB1 ALA W 540 8.061 4.056 4.935 1.00 0.00 H ATOM 290 HB2 ALA W 540 8.156 5.831 4.839 1.00 0.00 H ATOM 291 HB3 ALA W 540 9.480 4.908 5.591 1.00 0.00 H ATOM 292 H ALA W 540 5.872 5.753 5.878 1.00 0.00 H ATOM 293 N PRO W 541 9.493 6.246 8.004 1.00 0.00 N ATOM 294 CA PRO W 541 10.100 7.353 8.750 1.00 0.00 C ATOM 295 C PRO W 541 10.333 8.577 7.872 1.00 0.00 C ATOM 296 O PRO W 541 10.408 9.703 8.364 1.00 0.00 O ATOM 297 CB PRO W 541 11.433 6.774 9.227 1.00 0.00 C ATOM 298 CG PRO W 541 11.754 5.702 8.244 1.00 0.00 C ATOM 299 CD PRO W 541 10.433 5.127 7.811 1.00 0.00 C ATOM 300 HA PRO W 541 9.460 7.700 9.561 1.00 0.00 H ATOM 301 HD3 PRO W 541 10.465 4.820 6.766 1.00 0.00 H ATOM 302 HD2 PRO W 541 10.157 4.274 8.431 1.00 0.00 H ATOM 303 HG3 PRO W 541 12.368 4.932 8.710 1.00 0.00 H ATOM 304 HG2 PRO W 541 12.285 6.119 7.388 1.00 0.00 H ATOM 305 HB2 PRO W 541 12.208 7.541 9.226 1.00 0.00 H ATOM 306 HB3 PRO W 541 11.335 6.359 10.230 1.00 0.00 H ATOM 307 N ASN W 542 10.443 8.348 6.568 1.00 0.00 N ATOM 308 CA ASN W 542 10.665 9.429 5.617 1.00 0.00 C ATOM 309 C ASN W 542 9.624 10.529 5.798 1.00 0.00 C ATOM 310 O ASN W 542 9.905 11.707 5.577 1.00 0.00 O ATOM 311 CB ASN W 542 10.618 8.892 4.185 1.00 0.00 C ATOM 312 CG ASN W 542 10.740 9.990 3.148 1.00 0.00 C ATOM 313 OD1 ASN W 542 11.036 11.139 3.474 1.00 0.00 O ATOM 314 ND2 ASN W 542 10.511 9.639 1.887 1.00 0.00 N ATOM 315 HA ASN W 542 11.652 9.853 5.804 1.00 0.00 H ATOM 316 HB2 ASN W 542 11.440 8.189 4.048 1.00 0.00 H ATOM 317 HB3 ASN W 542 9.670 8.375 4.037 1.00 0.00 H ATOM 318 HD22 ASN W 542 10.264 8.655 1.658 1.00 0.00 H ATOM 319 HD21 ASN W 542 10.579 10.348 1.129 1.00 0.00 H ATOM 320 H ASN W 542 10.369 7.372 6.217 1.00 0.00 H ATOM 321 N GLY W 543 8.421 10.136 6.204 1.00 0.00 N ATOM 322 CA GLY W 543 7.355 11.099 6.412 1.00 0.00 C ATOM 323 C GLY W 543 6.114 10.799 5.589 1.00 0.00 C ATOM 324 O GLY W 543 5.078 11.440 5.769 1.00 0.00 O ATOM 325 HA3 GLY W 543 7.722 12.088 6.139 1.00 0.00 H ATOM 326 HA2 GLY W 543 7.082 11.093 7.467 1.00 0.00 H ATOM 327 H GLY W 543 8.241 9.126 6.375 1.00 0.00 H ATOM 328 N ARG W 544 6.212 9.828 4.683 1.00 0.00 N ATOM 329 CA ARG W 544 5.081 9.462 3.838 1.00 0.00 C ATOM 330 C ARG W 544 4.835 7.957 3.865 1.00 0.00 C ATOM 331 O ARG W 544 5.726 7.175 4.196 1.00 0.00 O ATOM 332 CB ARG W 544 5.317 9.924 2.400 1.00 0.00 C ATOM 333 CG ARG W 544 6.434 9.171 1.700 1.00 0.00 C ATOM 334 CD ARG W 544 7.510 10.116 1.197 1.00 0.00 C ATOM 335 NE ARG W 544 7.839 11.144 2.181 1.00 0.00 N ATOM 336 CZ ARG W 544 8.385 12.317 1.872 1.00 0.00 C ATOM 337 NH1 ARG W 544 8.678 12.604 0.611 1.00 0.00 N ATOM 338 NH2 ARG W 544 8.640 13.203 2.825 1.00 0.00 N ATOM 339 HA ARG W 544 4.196 9.961 4.233 1.00 0.00 H ATOM 340 HB2 ARG W 544 4.396 9.780 1.835 1.00 0.00 H ATOM 341 HB3 ARG W 544 5.571 10.984 2.415 1.00 0.00 H ATOM 342 HG2 ARG W 544 6.880 8.466 2.401 1.00 0.00 H ATOM 343 HG3 ARG W 544 6.018 8.625 0.854 1.00 0.00 H ATOM 344 HD2 ARG W 544 7.156 10.600 0.287 1.00 0.00 H ATOM 345 HD3 ARG W 544 8.409 9.540 0.975 1.00 0.00 H ATOM 346 HE ARG W 544 7.634 10.947 3.182 1.00 0.00 H ATOM 347 HH12 ARG W 544 9.105 13.522 0.372 1.00 0.00 H ATOM 348 HH11 ARG W 544 8.481 11.911 -0.139 1.00 0.00 H ATOM 349 HH22 ARG W 544 9.067 14.120 2.582 1.00 0.00 H ATOM 350 HH21 ARG W 544 8.413 12.981 3.815 1.00 0.00 H ATOM 351 H ARG W 544 7.113 9.320 4.576 1.00 0.00 H ATOM 352 N THR W 545 3.616 7.565 3.515 1.00 0.00 N ATOM 353 CA THR W 545 3.235 6.158 3.494 1.00 0.00 C ATOM 354 C THR W 545 3.557 5.521 2.152 1.00 0.00 C ATOM 355 O THR W 545 3.493 6.175 1.111 1.00 0.00 O ATOM 356 CB THR W 545 1.737 5.968 3.781 1.00 0.00 C ATOM 357 OG1 THR W 545 0.980 7.010 3.154 1.00 0.00 O ATOM 358 CG2 THR W 545 1.467 5.968 5.277 1.00 0.00 C ATOM 359 HA THR W 545 3.813 5.671 4.280 1.00 0.00 H ATOM 360 HB THR W 545 1.433 5.004 3.374 1.00 0.00 H ATOM 361 HG1 THR W 545 1.130 6.983 2.176 1.00 0.00 H ATOM 362 HG23 THR W 545 2.045 5.174 5.749 1.00 0.00 H ATOM 363 HG21 THR W 545 1.758 6.930 5.698 1.00 0.00 H ATOM 364 HG22 THR W 545 0.405 5.800 5.453 1.00 0.00 H ATOM 365 H THR W 545 2.912 8.283 3.248 1.00 0.00 H ATOM 366 N PHE W 546 3.905 4.242 2.181 1.00 0.00 N ATOM 367 CA PHE W 546 4.237 3.518 0.965 1.00 0.00 C ATOM 368 C PHE W 546 3.301 2.329 0.762 1.00 0.00 C ATOM 369 O PHE W 546 2.351 2.138 1.522 1.00 0.00 O ATOM 370 CB PHE W 546 5.689 3.044 1.018 1.00 0.00 C ATOM 371 CG PHE W 546 6.063 2.399 2.322 1.00 0.00 C ATOM 372 CD1 PHE W 546 6.254 3.165 3.461 1.00 0.00 C ATOM 373 CD2 PHE W 546 6.227 1.026 2.406 1.00 0.00 C ATOM 374 CE1 PHE W 546 6.600 2.572 4.660 1.00 0.00 C ATOM 375 CE2 PHE W 546 6.573 0.428 3.602 1.00 0.00 C ATOM 376 CZ PHE W 546 6.760 1.202 4.730 1.00 0.00 C ATOM 377 HA PHE W 546 4.113 4.195 0.120 1.00 0.00 H ATOM 378 HB2 PHE W 546 5.845 2.320 0.218 1.00 0.00 H ATOM 379 HB3 PHE W 546 6.339 3.905 0.860 1.00 0.00 H ATOM 380 HD2 PHE W 546 6.081 0.411 1.518 1.00 0.00 H ATOM 381 HE2 PHE W 546 6.698 -0.653 3.655 1.00 0.00 H ATOM 382 HZ PHE W 546 7.034 0.732 5.675 1.00 0.00 H ATOM 383 HE1 PHE W 546 6.747 3.185 5.550 1.00 0.00 H ATOM 384 HD1 PHE W 546 6.130 4.247 3.410 1.00 0.00 H ATOM 385 H PHE W 546 3.941 3.746 3.094 1.00 0.00 H ATOM 386 N PHE W 547 3.576 1.534 -0.266 1.00 0.00 N ATOM 387 CA PHE W 547 2.762 0.362 -0.570 1.00 0.00 C ATOM 388 C PHE W 547 3.625 -0.886 -0.653 1.00 0.00 C ATOM 389 O PHE W 547 4.492 -0.998 -1.519 1.00 0.00 O ATOM 390 CB PHE W 547 2.005 0.557 -1.885 1.00 0.00 C ATOM 391 CG PHE W 547 0.567 0.949 -1.700 1.00 0.00 C ATOM 392 CD1 PHE W 547 0.213 2.279 -1.535 1.00 0.00 C ATOM 393 CD2 PHE W 547 -0.430 -0.013 -1.691 1.00 0.00 C ATOM 394 CE1 PHE W 547 -1.110 2.641 -1.365 1.00 0.00 C ATOM 395 CE2 PHE W 547 -1.754 0.344 -1.521 1.00 0.00 C ATOM 396 CZ PHE W 547 -2.095 1.673 -1.358 1.00 0.00 C ATOM 397 HA PHE W 547 2.040 0.237 0.237 1.00 0.00 H ATOM 398 HB2 PHE W 547 2.504 1.339 -2.458 1.00 0.00 H ATOM 399 HB3 PHE W 547 2.038 -0.378 -2.444 1.00 0.00 H ATOM 400 HD2 PHE W 547 -0.167 -1.063 -1.819 1.00 0.00 H ATOM 401 HE2 PHE W 547 -2.529 -0.422 -1.515 1.00 0.00 H ATOM 402 HZ PHE W 547 -3.139 1.957 -1.224 1.00 0.00 H ATOM 403 HE1 PHE W 547 -1.376 3.690 -1.236 1.00 0.00 H ATOM 404 HD1 PHE W 547 0.986 3.047 -1.539 1.00 0.00 H ATOM 405 H PHE W 547 4.394 1.753 -0.870 1.00 0.00 H ATOM 406 N ILE W 548 3.379 -1.822 0.252 1.00 0.00 N ATOM 407 CA ILE W 548 4.129 -3.067 0.288 1.00 0.00 C ATOM 408 C ILE W 548 3.608 -4.046 -0.759 1.00 0.00 C ATOM 409 O ILE W 548 2.401 -4.216 -0.917 1.00 0.00 O ATOM 410 CB ILE W 548 4.056 -3.712 1.689 1.00 0.00 C ATOM 411 CG1 ILE W 548 4.748 -2.816 2.716 1.00 0.00 C ATOM 412 CG2 ILE W 548 4.685 -5.101 1.694 1.00 0.00 C ATOM 413 CD1 ILE W 548 3.878 -2.473 3.905 1.00 0.00 C ATOM 414 HA ILE W 548 5.169 -2.833 0.062 1.00 0.00 H ATOM 415 HB ILE W 548 3.005 -3.819 1.956 1.00 0.00 H ATOM 416 HG12 ILE W 548 5.639 -3.330 3.077 1.00 0.00 H ATOM 417 HG13 ILE W 548 5.040 -1.889 2.223 1.00 0.00 H ATOM 418 HD11 ILE W 548 2.987 -1.948 3.562 1.00 0.00 H ATOM 419 HD12 ILE W 548 3.586 -3.390 4.417 1.00 0.00 H ATOM 420 HD13 ILE W 548 4.436 -1.835 4.590 1.00 0.00 H ATOM 421 HG21 ILE W 548 4.155 -5.741 0.989 1.00 0.00 H ATOM 422 HG22 ILE W 548 5.732 -5.025 1.401 1.00 0.00 H ATOM 423 HG23 ILE W 548 4.616 -5.526 2.695 1.00 0.00 H ATOM 424 H ILE W 548 2.630 -1.662 0.955 1.00 0.00 H ATOM 425 N ASP W 549 4.529 -4.685 -1.467 1.00 0.00 N ATOM 426 CA ASP W 549 4.171 -5.652 -2.497 1.00 0.00 C ATOM 427 C ASP W 549 4.366 -7.078 -1.988 1.00 0.00 C ATOM 428 O ASP W 549 5.492 -7.516 -1.756 1.00 0.00 O ATOM 429 CB ASP W 549 5.013 -5.424 -3.755 1.00 0.00 C ATOM 430 CG ASP W 549 4.773 -6.484 -4.814 1.00 0.00 C ATOM 431 OD1 ASP W 549 3.679 -6.485 -5.415 1.00 0.00 O ATOM 432 OD2 ASP W 549 5.681 -7.311 -5.041 1.00 0.00 O ATOM 433 HA ASP W 549 3.119 -5.513 -2.746 1.00 0.00 H ATOM 434 HB2 ASP W 549 4.762 -4.449 -4.172 1.00 0.00 H ATOM 435 HB3 ASP W 549 6.067 -5.438 -3.478 1.00 0.00 H ATOM 436 H ASP W 549 5.534 -4.491 -1.282 1.00 0.00 H ATOM 437 N HIS W 550 3.261 -7.795 -1.814 1.00 0.00 N ATOM 438 CA HIS W 550 3.311 -9.170 -1.330 1.00 0.00 C ATOM 439 C HIS W 550 3.636 -10.139 -2.463 1.00 0.00 C ATOM 440 O HIS W 550 4.139 -11.238 -2.227 1.00 0.00 O ATOM 441 CB HIS W 550 1.980 -9.552 -0.680 1.00 0.00 C ATOM 442 CG HIS W 550 1.769 -8.929 0.664 1.00 0.00 C ATOM 443 ND1 HIS W 550 1.745 -9.688 1.809 1.00 0.00 N ATOM 444 CD2 HIS W 550 1.578 -7.627 0.991 1.00 0.00 C ATOM 445 CE1 HIS W 550 1.541 -8.839 2.801 1.00 0.00 C ATOM 446 NE2 HIS W 550 1.433 -7.579 2.354 1.00 0.00 N ATOM 447 HA HIS W 550 4.104 -9.236 -0.585 1.00 0.00 H ATOM 448 HB2 HIS W 550 1.171 -9.235 -1.338 1.00 0.00 H ATOM 449 HB3 HIS W 550 1.950 -10.636 -0.566 1.00 0.00 H ATOM 450 HD2 HIS W 550 1.546 -6.782 0.303 1.00 0.00 H ATOM 451 HE1 HIS W 550 1.470 -9.126 3.850 1.00 0.00 H ATOM 452 H HIS W 550 2.338 -7.366 -2.028 1.00 0.00 H ATOM 453 N ALA W 551 3.347 -9.727 -3.694 1.00 0.00 N ATOM 454 CA ALA W 551 3.611 -10.561 -4.860 1.00 0.00 C ATOM 455 C ALA W 551 5.095 -10.891 -4.973 1.00 0.00 C ATOM 456 O ALA W 551 5.468 -12.008 -5.332 1.00 0.00 O ATOM 457 CB ALA W 551 3.124 -9.869 -6.124 1.00 0.00 C ATOM 458 HA ALA W 551 3.066 -11.497 -4.739 1.00 0.00 H ATOM 459 HB1 ALA W 551 2.051 -9.690 -6.049 1.00 0.00 H ATOM 460 HB2 ALA W 551 3.645 -8.918 -6.240 1.00 0.00 H ATOM 461 HB3 ALA W 551 3.328 -10.504 -6.986 1.00 0.00 H ATOM 462 H ALA W 551 2.922 -8.787 -3.828 1.00 0.00 H ATOM 463 N SER W 552 5.938 -9.911 -4.663 1.00 0.00 N ATOM 464 CA SER W 552 7.383 -10.096 -4.727 1.00 0.00 C ATOM 465 C SER W 552 8.064 -9.554 -3.472 1.00 0.00 C ATOM 466 O SER W 552 9.267 -9.291 -3.475 1.00 0.00 O ATOM 467 CB SER W 552 7.949 -9.401 -5.966 1.00 0.00 C ATOM 468 OG SER W 552 8.600 -10.327 -6.819 1.00 0.00 O ATOM 469 HA SER W 552 7.583 -11.166 -4.790 1.00 0.00 H ATOM 470 HB2 SER W 552 8.665 -8.641 -5.652 1.00 0.00 H ATOM 471 HB3 SER W 552 7.134 -8.926 -6.512 1.00 0.00 H ATOM 472 HG SER W 552 8.956 -9.851 -7.611 1.00 0.00 H ATOM 473 H SER W 552 5.557 -8.989 -4.367 1.00 0.00 H ATOM 474 N ARG W 553 7.292 -9.391 -2.400 1.00 0.00 N ATOM 475 CA ARG W 553 7.826 -8.883 -1.140 1.00 0.00 C ATOM 476 C ARG W 553 8.677 -7.635 -1.365 1.00 0.00 C ATOM 477 O ARG W 553 9.906 -7.695 -1.329 1.00 0.00 O ATOM 478 CB ARG W 553 8.657 -9.962 -0.444 1.00 0.00 C ATOM 479 CG ARG W 553 8.071 -11.359 -0.576 1.00 0.00 C ATOM 480 CD ARG W 553 8.975 -12.269 -1.392 1.00 0.00 C ATOM 481 NE ARG W 553 8.266 -12.890 -2.507 1.00 0.00 N ATOM 482 CZ ARG W 553 8.870 -13.570 -3.476 1.00 0.00 C ATOM 483 NH1 ARG W 553 10.189 -13.707 -3.468 1.00 0.00 N ATOM 484 NH2 ARG W 553 8.158 -14.114 -4.453 1.00 0.00 N ATOM 485 HA ARG W 553 6.984 -8.612 -0.503 1.00 0.00 H ATOM 486 HB2 ARG W 553 9.656 -9.964 -0.881 1.00 0.00 H ATOM 487 HB3 ARG W 553 8.726 -9.715 0.615 1.00 0.00 H ATOM 488 HG2 ARG W 553 7.944 -11.785 0.419 1.00 0.00 H ATOM 489 HG3 ARG W 553 7.100 -11.291 -1.067 1.00 0.00 H ATOM 490 HD2 ARG W 553 9.364 -13.053 -0.742 1.00 0.00 H ATOM 491 HD3 ARG W 553 9.804 -11.681 -1.786 1.00 0.00 H ATOM 492 HE ARG W 553 7.231 -12.795 -2.545 1.00 0.00 H ATOM 493 HH12 ARG W 553 10.661 -14.239 -4.227 1.00 0.00 H ATOM 494 HH11 ARG W 553 10.751 -13.282 -2.703 1.00 0.00 H ATOM 495 HH22 ARG W 553 8.634 -14.645 -5.210 1.00 0.00 H ATOM 496 HH21 ARG W 553 7.123 -14.009 -4.463 1.00 0.00 H ATOM 497 H ARG W 553 6.282 -9.632 -2.462 1.00 0.00 H ATOM 498 N ARG W 554 8.015 -6.505 -1.596 1.00 0.00 N ATOM 499 CA ARG W 554 8.711 -5.244 -1.825 1.00 0.00 C ATOM 500 C ARG W 554 7.873 -4.063 -1.344 1.00 0.00 C ATOM 501 O ARG W 554 6.928 -4.233 -0.574 1.00 0.00 O ATOM 502 CB ARG W 554 9.037 -5.080 -3.310 1.00 0.00 C ATOM 503 CG ARG W 554 9.614 -6.333 -3.949 1.00 0.00 C ATOM 504 CD ARG W 554 9.855 -6.139 -5.437 1.00 0.00 C ATOM 505 NE ARG W 554 10.731 -7.169 -5.988 1.00 0.00 N ATOM 506 CZ ARG W 554 11.397 -7.035 -7.131 1.00 0.00 C ATOM 507 NH1 ARG W 554 11.289 -5.917 -7.836 1.00 0.00 N ATOM 508 NH2 ARG W 554 12.173 -8.017 -7.569 1.00 0.00 N ATOM 509 HA ARG W 554 9.640 -5.263 -1.255 1.00 0.00 H ATOM 510 HB2 ARG W 554 8.120 -4.815 -3.837 1.00 0.00 H ATOM 511 HB3 ARG W 554 9.762 -4.273 -3.417 1.00 0.00 H ATOM 512 HG2 ARG W 554 10.560 -6.574 -3.465 1.00 0.00 H ATOM 513 HG3 ARG W 554 8.915 -7.157 -3.808 1.00 0.00 H ATOM 514 HD2 ARG W 554 10.315 -5.164 -5.595 1.00 0.00 H ATOM 515 HD3 ARG W 554 8.898 -6.176 -5.957 1.00 0.00 H ATOM 516 HE ARG W 554 10.840 -8.057 -5.457 1.00 0.00 H ATOM 517 HH12 ARG W 554 11.810 -5.813 -8.730 1.00 0.00 H ATOM 518 HH11 ARG W 554 10.683 -5.144 -7.495 1.00 0.00 H ATOM 519 HH22 ARG W 554 12.693 -7.910 -8.463 1.00 0.00 H ATOM 520 HH21 ARG W 554 12.262 -8.895 -7.018 1.00 0.00 H ATOM 521 H ARG W 554 6.975 -6.521 -1.614 1.00 0.00 H ATOM 522 N THR W 555 8.225 -2.867 -1.804 1.00 0.00 N ATOM 523 CA THR W 555 7.504 -1.659 -1.422 1.00 0.00 C ATOM 524 C THR W 555 7.660 -0.568 -2.475 1.00 0.00 C ATOM 525 O THR W 555 8.608 -0.579 -3.260 1.00 0.00 O ATOM 526 CB THR W 555 7.989 -1.118 -0.064 1.00 0.00 C ATOM 527 OG1 THR W 555 9.354 -0.692 -0.164 1.00 0.00 O ATOM 528 CG2 THR W 555 7.862 -2.181 1.017 1.00 0.00 C ATOM 529 HA THR W 555 6.452 -1.934 -1.340 1.00 0.00 H ATOM 530 HB THR W 555 7.363 -0.268 0.208 1.00 0.00 H ATOM 531 HG1 THR W 555 9.656 -0.346 0.713 1.00 0.00 H ATOM 532 HG23 THR W 555 6.823 -2.502 1.089 1.00 0.00 H ATOM 533 HG21 THR W 555 8.490 -3.034 0.761 1.00 0.00 H ATOM 534 HG22 THR W 555 8.183 -1.766 1.972 1.00 0.00 H ATOM 535 H THR W 555 9.035 -2.791 -2.452 1.00 0.00 H ATOM 536 N THR W 556 6.724 0.377 -2.485 1.00 0.00 N ATOM 537 CA THR W 556 6.759 1.478 -3.440 1.00 0.00 C ATOM 538 C THR W 556 6.001 2.689 -2.913 1.00 0.00 C ATOM 539 O THR W 556 5.134 2.568 -2.047 1.00 0.00 O ATOM 540 CB THR W 556 6.167 1.066 -4.801 1.00 0.00 C ATOM 541 OG1 THR W 556 6.102 2.202 -5.671 1.00 0.00 O ATOM 542 CG2 THR W 556 4.777 0.473 -4.630 1.00 0.00 C ATOM 543 HA THR W 556 7.808 1.741 -3.576 1.00 0.00 H ATOM 544 HB THR W 556 6.816 0.309 -5.240 1.00 0.00 H ATOM 545 HG1 THR W 556 5.721 1.927 -6.542 1.00 0.00 H ATOM 546 HG23 THR W 556 4.831 -0.391 -3.968 1.00 0.00 H ATOM 547 HG21 THR W 556 4.114 1.223 -4.198 1.00 0.00 H ATOM 548 HG22 THR W 556 4.393 0.164 -5.602 1.00 0.00 H ATOM 549 H THR W 556 5.948 0.329 -1.794 1.00 0.00 H ATOM 550 N TRP W 557 6.345 3.858 -3.437 1.00 0.00 N ATOM 551 CA TRP W 557 5.715 5.106 -3.025 1.00 0.00 C ATOM 552 C TRP W 557 4.372 5.315 -3.711 1.00 0.00 C ATOM 553 O TRP W 557 3.536 6.083 -3.236 1.00 0.00 O ATOM 554 CB TRP W 557 6.640 6.277 -3.347 1.00 0.00 C ATOM 555 CG TRP W 557 7.805 6.366 -2.419 1.00 0.00 C ATOM 556 CD1 TRP W 557 9.123 6.450 -2.757 1.00 0.00 C ATOM 557 CD2 TRP W 557 7.751 6.370 -0.995 1.00 0.00 C ATOM 558 NE1 TRP W 557 9.895 6.504 -1.622 1.00 0.00 N ATOM 559 CE2 TRP W 557 9.073 6.460 -0.526 1.00 0.00 C ATOM 560 CE3 TRP W 557 6.708 6.307 -0.072 1.00 0.00 C ATOM 561 CZ2 TRP W 557 9.379 6.488 0.832 1.00 0.00 C ATOM 562 CZ3 TRP W 557 7.010 6.335 1.276 1.00 0.00 C ATOM 563 CH2 TRP W 557 8.337 6.426 1.717 1.00 0.00 C ATOM 564 HA TRP W 557 5.537 5.051 -1.951 1.00 0.00 H ATOM 565 HB2 TRP W 557 7.013 6.157 -4.364 1.00 0.00 H ATOM 566 HB3 TRP W 557 6.068 7.202 -3.278 1.00 0.00 H ATOM 567 HE1 TRP W 557 10.933 6.568 -1.598 1.00 0.00 H ATOM 568 HD1 TRP W 557 9.507 6.471 -3.777 1.00 0.00 H ATOM 569 HZ2 TRP W 557 10.411 6.557 1.178 1.00 0.00 H ATOM 570 HH2 TRP W 557 8.544 6.448 2.787 1.00 0.00 H ATOM 571 HZ3 TRP W 557 6.204 6.286 2.008 1.00 0.00 H ATOM 572 HE3 TRP W 557 5.673 6.237 -0.408 1.00 0.00 H ATOM 573 H TRP W 557 7.088 3.885 -4.165 1.00 0.00 H ATOM 574 N ILE W 558 4.174 4.645 -4.837 1.00 0.00 N ATOM 575 CA ILE W 558 2.937 4.781 -5.591 1.00 0.00 C ATOM 576 C ILE W 558 1.991 3.616 -5.328 1.00 0.00 C ATOM 577 O ILE W 558 2.397 2.454 -5.347 1.00 0.00 O ATOM 578 CB ILE W 558 3.222 4.882 -7.100 1.00 0.00 C ATOM 579 CG1 ILE W 558 4.350 5.886 -7.354 1.00 0.00 C ATOM 580 CG2 ILE W 558 1.962 5.285 -7.853 1.00 0.00 C ATOM 581 CD1 ILE W 558 5.435 5.358 -8.267 1.00 0.00 C ATOM 582 HA ILE W 558 2.456 5.700 -5.255 1.00 0.00 H ATOM 583 HB ILE W 558 3.538 3.905 -7.466 1.00 0.00 H ATOM 584 HG12 ILE W 558 3.921 6.779 -7.808 1.00 0.00 H ATOM 585 HG13 ILE W 558 4.801 6.147 -6.397 1.00 0.00 H ATOM 586 HD11 ILE W 558 5.883 4.470 -7.821 1.00 0.00 H ATOM 587 HD12 ILE W 558 5.002 5.102 -9.234 1.00 0.00 H ATOM 588 HD13 ILE W 558 6.199 6.123 -8.401 1.00 0.00 H ATOM 589 HG21 ILE W 558 1.186 4.537 -7.687 1.00 0.00 H ATOM 590 HG22 ILE W 558 1.618 6.254 -7.491 1.00 0.00 H ATOM 591 HG23 ILE W 558 2.183 5.351 -8.918 1.00 0.00 H ATOM 592 H ILE W 558 4.918 4.009 -5.189 1.00 0.00 H ATOM 593 N ASP W 559 0.727 3.940 -5.078 1.00 0.00 N ATOM 594 CA ASP W 559 -0.285 2.927 -4.806 1.00 0.00 C ATOM 595 C ASP W 559 -0.648 2.161 -6.077 1.00 0.00 C ATOM 596 O ASP W 559 -0.748 2.748 -7.155 1.00 0.00 O ATOM 597 CB ASP W 559 -1.538 3.576 -4.214 1.00 0.00 C ATOM 598 CG ASP W 559 -2.275 4.435 -5.223 1.00 0.00 C ATOM 599 OD1 ASP W 559 -2.956 3.865 -6.102 1.00 0.00 O ATOM 600 OD2 ASP W 559 -2.172 5.676 -5.134 1.00 0.00 O ATOM 601 HA ASP W 559 0.128 2.222 -4.085 1.00 0.00 H ATOM 602 HB2 ASP W 559 -2.209 2.790 -3.866 1.00 0.00 H ATOM 603 HB3 ASP W 559 -1.244 4.201 -3.370 1.00 0.00 H ATOM 604 H ASP W 559 0.452 4.943 -5.076 1.00 0.00 H ATOM 605 N PRO W 560 -0.862 0.838 -5.968 1.00 0.00 N ATOM 606 CA PRO W 560 -1.223 0.007 -7.107 1.00 0.00 C ATOM 607 C PRO W 560 -2.721 0.035 -7.380 1.00 0.00 C ATOM 608 O PRO W 560 -3.162 -0.156 -8.513 1.00 0.00 O ATOM 609 CB PRO W 560 -0.781 -1.396 -6.687 1.00 0.00 C ATOM 610 CG PRO W 560 -0.651 -1.374 -5.194 1.00 0.00 C ATOM 611 CD PRO W 560 -0.778 0.056 -4.727 1.00 0.00 C ATOM 612 HA PRO W 560 -0.754 0.351 -8.029 1.00 0.00 H ATOM 613 HD3 PRO W 560 -1.678 0.188 -4.126 1.00 0.00 H ATOM 614 HD2 PRO W 560 0.094 0.351 -4.143 1.00 0.00 H ATOM 615 HG3 PRO W 560 0.321 -1.772 -4.903 1.00 0.00 H ATOM 616 HG2 PRO W 560 -1.439 -1.979 -4.746 1.00 0.00 H ATOM 617 HB2 PRO W 560 -1.526 -2.132 -6.989 1.00 0.00 H ATOM 618 HB3 PRO W 560 0.177 -1.642 -7.145 1.00 0.00 H ATOM 619 N ARG W 561 -3.496 0.278 -6.330 1.00 0.00 N ATOM 620 CA ARG W 561 -4.947 0.337 -6.448 1.00 0.00 C ATOM 621 C ARG W 561 -5.366 1.343 -7.518 1.00 0.00 C ATOM 622 O ARG W 561 -6.454 1.243 -8.085 1.00 0.00 O ATOM 623 CB ARG W 561 -5.572 0.711 -5.103 1.00 0.00 C ATOM 624 CG ARG W 561 -4.773 1.745 -4.325 1.00 0.00 C ATOM 625 CD ARG W 561 -5.666 2.558 -3.403 1.00 0.00 C ATOM 626 NE ARG W 561 -5.577 2.111 -2.017 1.00 0.00 N ATOM 627 CZ ARG W 561 -5.970 2.845 -0.981 1.00 0.00 C ATOM 628 NH1 ARG W 561 -6.478 4.054 -1.178 1.00 0.00 N ATOM 629 NH2 ARG W 561 -5.855 2.372 0.252 1.00 0.00 N ATOM 630 HA ARG W 561 -5.305 -0.649 -6.745 1.00 0.00 H ATOM 631 HB2 ARG W 561 -6.569 1.112 -5.286 1.00 0.00 H ATOM 632 HB3 ARG W 561 -5.650 -0.191 -4.497 1.00 0.00 H ATOM 633 HG2 ARG W 561 -4.018 1.234 -3.728 1.00 0.00 H ATOM 634 HG3 ARG W 561 -4.283 2.418 -5.029 1.00 0.00 H ATOM 635 HD2 ARG W 561 -6.699 2.461 -3.738 1.00 0.00 H ATOM 636 HD3 ARG W 561 -5.365 3.604 -3.455 1.00 0.00 H ATOM 637 HE ARG W 561 -5.185 1.166 -1.829 1.00 0.00 H ATOM 638 HH12 ARG W 561 -6.785 4.627 -0.367 1.00 0.00 H ATOM 639 HH11 ARG W 561 -6.569 4.429 -2.144 1.00 0.00 H ATOM 640 HH22 ARG W 561 -6.163 2.948 1.061 1.00 0.00 H ATOM 641 HH21 ARG W 561 -5.457 1.425 0.410 1.00 0.00 H ATOM 642 H ARG W 561 -3.056 0.430 -5.400 1.00 0.00 H ATOM 643 N ASN W 562 -4.493 2.310 -7.793 1.00 0.00 N ATOM 644 CA ASN W 562 -4.773 3.332 -8.800 1.00 0.00 C ATOM 645 C ASN W 562 -3.527 3.626 -9.626 1.00 0.00 C ATOM 646 O ASN W 562 -3.535 3.500 -10.850 1.00 0.00 O ATOM 647 CB ASN W 562 -5.275 4.634 -8.155 1.00 0.00 C ATOM 648 CG ASN W 562 -5.878 4.433 -6.777 1.00 0.00 C ATOM 649 OD1 ASN W 562 -6.902 3.767 -6.625 1.00 0.00 O ATOM 650 ND2 ASN W 562 -5.241 5.012 -5.765 1.00 0.00 N ATOM 651 HA ASN W 562 -5.556 2.941 -9.450 1.00 0.00 H ATOM 652 HB2 ASN W 562 -4.434 5.322 -8.067 1.00 0.00 H ATOM 653 HB3 ASN W 562 -6.034 5.071 -8.804 1.00 0.00 H ATOM 654 HD22 ASN W 562 -4.379 5.566 -5.942 1.00 0.00 H ATOM 655 HD21 ASN W 562 -5.605 4.912 -4.796 1.00 0.00 H ATOM 656 H ASN W 562 -3.590 2.339 -7.279 1.00 0.00 H ATOM 657 N GLY W 563 -2.456 4.020 -8.944 1.00 0.00 N ATOM 658 CA GLY W 563 -1.213 4.330 -9.625 1.00 0.00 C ATOM 659 C GLY W 563 -0.750 5.750 -9.365 1.00 0.00 C ATOM 660 O GLY W 563 -0.166 6.390 -10.240 1.00 0.00 O ATOM 661 HA3 GLY W 563 -1.359 4.200 -10.697 1.00 0.00 H ATOM 662 HA2 GLY W 563 -0.442 3.641 -9.278 1.00 0.00 H ATOM 663 H GLY W 563 -2.510 4.107 -7.909 1.00 0.00 H ATOM 664 N ARG W 564 -1.012 6.244 -8.159 1.00 0.00 N ATOM 665 CA ARG W 564 -0.619 7.598 -7.785 1.00 0.00 C ATOM 666 C ARG W 564 0.217 7.590 -6.510 1.00 0.00 C ATOM 667 O ARG W 564 -0.032 6.803 -5.597 1.00 0.00 O ATOM 668 CB ARG W 564 -1.857 8.475 -7.590 1.00 0.00 C ATOM 669 CG ARG W 564 -2.576 8.811 -8.886 1.00 0.00 C ATOM 670 CD ARG W 564 -3.890 8.056 -9.007 1.00 0.00 C ATOM 671 NE ARG W 564 -3.939 7.234 -10.212 1.00 0.00 N ATOM 672 CZ ARG W 564 -3.938 7.733 -11.444 1.00 0.00 C ATOM 673 NH1 ARG W 564 -3.893 9.045 -11.631 1.00 0.00 N ATOM 674 NH2 ARG W 564 -3.983 6.920 -12.491 1.00 0.00 N ATOM 675 HA ARG W 564 -0.013 8.009 -8.593 1.00 0.00 H ATOM 676 HB2 ARG W 564 -2.553 7.949 -6.936 1.00 0.00 H ATOM 677 HB3 ARG W 564 -1.548 9.407 -7.116 1.00 0.00 H ATOM 678 HG2 ARG W 564 -2.779 9.882 -8.911 1.00 0.00 H ATOM 679 HG3 ARG W 564 -1.935 8.544 -9.726 1.00 0.00 H ATOM 680 HD2 ARG W 564 -4.708 8.776 -9.038 1.00 0.00 H ATOM 681 HD3 ARG W 564 -4.007 7.411 -8.136 1.00 0.00 H ATOM 682 HE ARG W 564 -3.977 6.201 -10.101 1.00 0.00 H ATOM 683 HH12 ARG W 564 -3.892 9.433 -12.596 1.00 0.00 H ATOM 684 HH11 ARG W 564 -3.858 9.686 -10.813 1.00 0.00 H ATOM 685 HH22 ARG W 564 -3.982 7.312 -13.454 1.00 0.00 H ATOM 686 HH21 ARG W 564 -4.019 5.890 -12.349 1.00 0.00 H ATOM 687 H ARG W 564 -1.510 5.650 -7.465 1.00 0.00 H ATOM 688 N ALA W 565 1.210 8.472 -6.454 1.00 0.00 N ATOM 689 CA ALA W 565 2.083 8.566 -5.290 1.00 0.00 C ATOM 690 C ALA W 565 1.277 8.796 -4.016 1.00 0.00 C ATOM 691 O ALA W 565 0.381 9.639 -3.980 1.00 0.00 O ATOM 692 CB ALA W 565 3.102 9.680 -5.482 1.00 0.00 C ATOM 693 HA ALA W 565 2.613 7.619 -5.187 1.00 0.00 H ATOM 694 HB1 ALA W 565 3.706 9.470 -6.364 1.00 0.00 H ATOM 695 HB2 ALA W 565 2.581 10.628 -5.614 1.00 0.00 H ATOM 696 HB3 ALA W 565 3.746 9.737 -4.604 1.00 0.00 H ATOM 697 H ALA W 565 1.368 9.110 -7.260 1.00 0.00 H ATOM 698 N SER W 566 1.602 8.041 -2.972 1.00 0.00 N ATOM 699 CA SER W 566 0.908 8.163 -1.695 1.00 0.00 C ATOM 700 C SER W 566 0.909 9.609 -1.213 1.00 0.00 C ATOM 701 O SER W 566 -0.136 10.145 -0.852 1.00 99.99 O ATOM 702 CB SER W 566 1.563 7.262 -0.647 1.00 0.00 C ATOM 703 OG SER W 566 0.630 6.340 -0.110 1.00 0.00 O ATOM 704 HA SER W 566 -0.125 7.848 -1.839 1.00 0.00 H ATOM 705 HB2 SER W 566 1.956 7.881 0.159 1.00 0.00 H ATOM 706 HB3 SER W 566 2.381 6.711 -1.112 1.00 0.00 H ATOM 707 HG SER W 566 1.080 5.771 0.564 1.00 0.00 H ATOM 708 H SER W 566 2.370 7.346 -3.068 1.00 0.00 H TER 709 SER W 566 HETATM 710 N THR A 1 15.777 9.337 0.589 1.00 0.24 N HETATM 711 CA THR A 1 14.758 8.581 -0.182 1.00 0.09 C HETATM 712 CB THR A 1 15.417 7.531 -1.095 1.00 0.11 C HETATM 713 CG2 THR A 1 16.398 8.189 -2.054 1.00 -0.03 C HETATM 714 H7 THR A 1 16.855 7.421 -2.695 1.00 0.03 H HETATM 715 H8 THR A 1 17.183 8.703 -1.480 1.00 0.03 H HETATM 716 H9 THR A 1 15.865 8.919 -2.680 1.00 0.03 H HETATM 717 OG1 THR A 1 16.100 6.552 -0.304 1.00 -0.38 O HETATM 718 H6 THR A 1 15.484 6.144 0.293 1.00 0.21 H HETATM 719 H5 THR A 1 14.632 7.031 -1.681 1.00 0.07 H HETATM 720 C THR A 1 13.774 7.881 0.747 1.00 0.23 C HETATM 721 O THR A 1 12.628 8.307 0.889 1.00 -0.39 O HETATM 722 N THR A 1 14.228 6.804 1.381 1.00 -0.26 N HETATM 723 CA THR A 1 13.373 6.065 2.291 1.00 0.12 C HETATM 724 C THR A 1 12.766 4.831 1.651 1.00 0.20 C HETATM 725 O THR A 1 13.432 4.124 0.896 1.00 -0.39 O HETATM 726 N THR A 1 11.499 4.573 1.958 1.00 -0.26 N HETATM 727 CA THR A 1 10.797 3.416 1.412 1.00 0.13 C HETATM 728 CB THR A 1 10.794 3.463 -0.117 1.00 -0.01 C HETATM 729 CG THR A 1 10.166 2.249 -0.800 1.00 -0.04 C HETATM 730 CD1 THR A 1 8.656 2.261 -0.622 1.00 -0.06 C HETATM 731 H18 THR A 1 8.221 1.381 -1.119 1.00 0.02 H HETATM 732 H19 THR A 1 8.241 3.177 -1.069 1.00 0.02 H HETATM 733 H20 THR A 1 8.413 2.233 0.450 1.00 0.02 H HETATM 734 CD2 THR A 1 10.530 2.223 -2.278 1.00 -0.06 C HETATM 735 H21 THR A 1 11.625 2.215 -2.386 1.00 0.02 H HETATM 736 H22 THR A 1 10.120 3.116 -2.772 1.00 0.02 H HETATM 737 H23 THR A 1 10.109 1.320 -2.744 1.00 0.02 H HETATM 738 H17 THR A 1 10.565 1.339 -0.328 1.00 0.03 H HETATM 739 H15 THR A 1 11.837 3.545 -0.458 1.00 0.03 H HETATM 740 H16 THR A 1 10.235 4.357 -0.430 1.00 0.03 H HETATM 741 C THR A 1 11.436 2.116 1.893 1.00 0.21 C HETATM 742 O THR A 1 12.155 1.453 1.144 1.00 -0.39 O HETATM 743 N THR A 1 11.181 1.732 3.155 1.00 -0.25 N HETATM 744 CA THR A 1 11.734 0.503 3.734 1.00 0.13 C HETATM 745 C THR A 1 11.262 -0.743 2.994 1.00 0.20 C HETATM 746 O THR A 1 10.155 -1.230 3.221 1.00 -0.39 O HETATM 747 N THR A 1 12.109 -1.252 2.106 1.00 -0.26 N HETATM 748 CA THR A 1 11.779 -2.442 1.329 1.00 0.15 C HETATM 749 CB THR A 1 13.005 -2.921 0.549 1.00 0.08 C HETATM 750 OG THR A 1 14.157 -2.945 1.373 1.00 -0.39 O HETATM 751 H35 THR A 1 14.902 -3.245 0.865 1.00 0.21 H HETATM 752 H33 THR A 1 13.182 -2.239 -0.296 1.00 0.06 H HETATM 753 H34 THR A 1 12.815 -3.935 0.168 1.00 0.06 H HETATM 754 C THR A 1 11.269 -3.561 2.232 1.00 0.21 C HETATM 755 O THR A 1 11.555 -3.586 3.429 1.00 -0.39 O HETATM 756 N THR A 1 10.510 -4.483 1.649 1.00 -0.26 N HETATM 757 CA THR A 1 9.957 -5.606 2.398 1.00 0.14 C HETATM 758 CB THR A 1 9.296 -6.604 1.444 1.00 0.02 C HETATM 759 CG THR A 1 8.379 -7.589 2.134 1.00 -0.05 C HETATM 760 CD1 THR A 1 8.867 -8.478 3.084 1.00 -0.07 C HETATM 761 CE1 THR A 1 8.030 -9.379 3.714 1.00 -0.04 C HETATM 762 CZ THR A 1 6.688 -9.399 3.400 1.00 0.08 C HETATM 763 CE2 THR A 1 6.180 -8.527 2.461 1.00 -0.04 C HETATM 764 CD2 THR A 1 7.023 -7.629 1.834 1.00 -0.07 C HETATM 765 H41 THR A 1 6.620 -6.945 1.096 1.00 0.05 H HETATM 766 H43 THR A 1 5.124 -8.546 2.216 1.00 0.05 H HETATM 767 OH THR A 1 5.852 -10.296 4.025 1.00 -0.34 O HETATM 768 H44 THR A 1 6.354 -10.820 4.638 1.00 0.25 H HETATM 769 H42 THR A 1 8.427 -10.067 4.452 1.00 0.05 H HETATM 770 H40 THR A 1 9.921 -8.464 3.335 1.00 0.05 H HETATM 771 H38 THR A 1 10.087 -7.168 0.929 1.00 0.05 H HETATM 772 H39 THR A 1 8.707 -6.040 0.705 1.00 0.05 H HETATM 773 C THR A 1 11.040 -6.306 3.213 1.00 0.21 C HETATM 774 O THR A 1 11.712 -7.213 2.721 1.00 -0.39 O HETATM 775 N THR A 1 11.204 -5.882 4.463 1.00 -0.26 N HETATM 776 CA THR A 1 12.205 -6.470 5.349 1.00 0.14 C HETATM 777 CB THR A 1 13.566 -6.536 4.650 1.00 0.04 C HETATM 778 CG THR A 1 14.054 -7.960 4.468 1.00 0.04 C HETATM 779 OD1 THR A 1 13.383 -8.730 3.749 1.00 -0.57 O HETATM 780 OD2 THR A 1 15.108 -8.305 5.043 1.00 -0.57 O HETATM 781 H47 THR A 1 14.301 -5.985 5.255 1.00 0.05 H HETATM 782 H48 THR A 1 13.478 -6.064 3.660 1.00 0.05 H HETATM 783 C THR A 1 12.326 -5.669 6.641 1.00 0.21 C HETATM 784 O THR A 1 12.598 -6.226 7.705 1.00 -0.39 O HETATM 785 N THR A 1 12.126 -4.359 6.541 1.00 -0.26 N HETATM 786 CA THR A 1 12.217 -3.481 7.702 1.00 0.13 C HETATM 787 CB THR A 1 12.988 -2.209 7.345 1.00 -0.00 C HETATM 788 CG THR A 1 14.117 -2.438 6.353 1.00 0.00 C HETATM 789 CD THR A 1 15.435 -1.857 6.824 1.00 0.04 C HETATM 790 OE2 THR A 1 16.331 -2.643 7.197 1.00 -0.57 O HETATM 791 OE1 THR A 1 15.572 -0.615 6.822 1.00 -0.57 O HETATM 792 H53 THR A 1 13.846 -1.967 5.397 1.00 0.04 H HETATM 793 H54 THR A 1 14.242 -3.521 6.206 1.00 0.04 H HETATM 794 H51 THR A 1 13.416 -1.792 8.268 1.00 0.03 H HETATM 795 H52 THR A 1 12.283 -1.486 6.908 1.00 0.03 H HETATM 796 C THR A 1 10.830 -3.119 8.224 1.00 0.20 C HETATM 797 O THR A 1 10.588 -3.135 9.431 1.00 -0.39 O HETATM 798 N THR A 1 9.923 -2.792 7.309 1.00 -0.26 N HETATM 799 CA THR A 1 8.561 -2.425 7.681 1.00 0.13 C HETATM 800 CB THR A 1 7.932 -1.564 6.597 1.00 -0.02 C HETATM 801 H57 THR A 1 6.907 -1.295 6.891 1.00 0.03 H HETATM 802 H58 THR A 1 7.907 -2.125 5.651 1.00 0.03 H HETATM 803 H59 THR A 1 8.527 -0.648 6.465 1.00 0.03 H HETATM 804 C THR A 1 7.710 -3.664 7.935 1.00 0.20 C HETATM 805 O THR A 1 6.746 -3.925 7.215 1.00 -0.39 O HETATM 806 N THR A 1 8.072 -4.424 8.962 1.00 -0.26 N HETATM 807 CA THR A 1 7.342 -5.637 9.312 1.00 0.13 C HETATM 808 CB THR A 1 8.001 -6.858 8.667 1.00 -0.01 C HETATM 809 CG THR A 1 7.621 -7.105 7.206 1.00 -0.04 C HETATM 810 CD1 THR A 1 8.863 -7.143 6.331 1.00 -0.06 C HETATM 811 H65 THR A 1 8.570 -7.321 5.286 1.00 0.02 H HETATM 812 H66 THR A 1 9.525 -7.954 6.669 1.00 0.02 H HETATM 813 H67 THR A 1 9.393 -6.182 6.404 1.00 0.02 H HETATM 814 CD2 THR A 1 6.834 -8.401 7.073 1.00 -0.06 C HETATM 815 H68 THR A 1 5.940 -8.354 7.713 1.00 0.02 H HETATM 816 H69 THR A 1 7.465 -9.247 7.385 1.00 0.02 H HETATM 817 H70 THR A 1 6.528 -8.539 6.025 1.00 0.02 H HETATM 818 H64 THR A 1 6.983 -6.275 6.868 1.00 0.03 H HETATM 819 H62 THR A 1 7.715 -7.747 9.248 1.00 0.03 H HETATM 820 H63 THR A 1 9.091 -6.723 8.717 1.00 0.03 H HETATM 821 C THR A 1 7.280 -5.818 10.825 1.00 0.20 C HETATM 822 O THR A 1 7.330 -6.940 11.328 1.00 -0.39 O HETATM 823 N THR A 1 7.169 -4.706 11.545 1.00 -0.26 N HETATM 824 CA THR A 1 7.100 -4.743 13.001 1.00 0.15 C HETATM 825 CB THR A 1 7.818 -3.530 13.596 1.00 0.02 C HETATM 826 CG THR A 1 9.281 -3.484 13.281 1.00 -0.00 C HETATM 827 ND1 THR A 1 9.932 -2.332 12.893 1.00 -0.33 N HETATM 828 CE1 THR A 1 11.209 -2.599 12.684 1.00 0.09 C HETATM 829 NE2 THR A 1 11.411 -3.882 12.923 1.00 -0.28 N HETATM 830 CD2 THR A 1 10.222 -4.458 13.297 1.00 0.03 C HETATM 831 H75 THR A 1 10.065 -5.503 13.558 1.00 0.07 H HETATM 832 H77 THR A 1 12.314 -4.371 12.842 1.00 0.24 H HETATM 833 H76 THR A 1 11.966 -1.883 12.368 1.00 0.12 H HETATM 834 H73 THR A 1 7.699 -3.557 14.689 1.00 0.04 H HETATM 835 H74 THR A 1 7.348 -2.618 13.198 1.00 0.04 H HETATM 836 C THR A 1 5.651 -4.774 13.475 1.00 0.26 C HETATM 837 O THR A 1 5.283 -5.612 14.296 1.00 -0.37 O HETATM 838 O1 THR A 1 4.780 -3.889 12.998 1.00 -0.29 O HETATM 839 H78 THR A 1 4.073 -4.348 12.560 1.00 0.25 H HETATM 840 H72 THR A 1 7.603 -5.657 13.351 1.00 0.08 H HETATM 841 H71 THR A 1 7.132 -3.823 11.077 1.00 0.19 H HETATM 842 H61 THR A 1 6.315 -5.548 8.928 1.00 0.08 H HETATM 843 H60 THR A 1 8.865 -4.158 9.509 1.00 0.19 H HETATM 844 H56 THR A 1 8.603 -1.839 8.611 1.00 0.08 H HETATM 845 H55 THR A 1 10.180 -2.798 6.343 1.00 0.19 H HETATM 846 H50 THR A 1 12.762 -4.011 8.497 1.00 0.08 H HETATM 847 H49 THR A 1 11.908 -3.966 5.648 1.00 0.19 H HETATM 848 H46 THR A 1 11.889 -7.493 5.600 1.00 0.08 H HETATM 849 H45 THR A 1 10.627 -5.141 4.805 1.00 0.19 H HETATM 850 H37 THR A 1 9.193 -5.221 3.090 1.00 0.08 H HETATM 851 H36 THR A 1 10.313 -4.405 0.672 1.00 0.19 H HETATM 852 H32 THR A 1 10.986 -2.182 0.613 1.00 0.08 H HETATM 853 H31 THR A 1 12.995 -0.809 1.967 1.00 0.19 H HETATM 854 CB THR A 1 11.202 0.503 5.174 1.00 -0.01 C HETATM 855 CG THR A 1 10.786 1.910 5.438 1.00 -0.03 C HETATM 856 CD THR A 1 10.337 2.460 4.116 1.00 0.04 C HETATM 857 H29 THR A 1 9.271 2.253 3.943 1.00 0.05 H HETATM 858 H30 THR A 1 10.514 3.544 4.057 1.00 0.05 H HETATM 859 H27 THR A 1 9.960 1.935 6.164 1.00 0.03 H HETATM 860 H28 THR A 1 11.634 2.493 5.827 1.00 0.03 H HETATM 861 H25 THR A 1 11.991 0.196 5.877 1.00 0.03 H HETATM 862 H26 THR A 1 10.343 -0.177 5.268 1.00 0.03 H HETATM 863 H24 THR A 1 12.834 0.534 3.724 1.00 0.08 H HETATM 864 H14 THR A 1 9.755 3.444 1.765 1.00 0.08 H HETATM 865 H13 THR A 1 11.014 5.188 2.580 1.00 0.19 H HETATM 866 H11 THR A 1 12.559 6.726 2.624 1.00 0.08 H HETATM 867 H12 THR A 1 13.970 5.753 3.160 1.00 0.08 H HETATM 868 H10 THR A 1 15.168 6.500 1.229 1.00 0.19 H HETATM 869 H4 THR A 1 14.203 9.294 -0.809 1.00 0.11 H HETATM 870 H1 THR A 1 16.413 9.789 -0.049 1.00 0.20 H HETATM 871 H2 THR A 1 16.289 8.702 1.181 1.00 0.20 H HETATM 872 H3 THR A 1 15.320 10.033 1.157 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 710 711 870 871 872 CONECT 711 710 712 720 869 CONECT 712 711 713 717 719 CONECT 713 712 714 715 716 CONECT 714 713 CONECT 715 713 CONECT 716 713 CONECT 717 712 718 CONECT 718 717 CONECT 719 712 CONECT 720 711 721 722 CONECT 721 720 CONECT 722 720 723 868 CONECT 723 722 724 866 867 CONECT 724 723 725 726 CONECT 725 724 CONECT 726 724 727 865 CONECT 727 726 728 741 864 CONECT 728 727 729 739 740 CONECT 729 728 730 734 738 CONECT 730 729 731 732 733 CONECT 731 730 CONECT 732 730 CONECT 733 730 CONECT 734 729 735 736 737 CONECT 735 734 CONECT 736 734 CONECT 737 734 CONECT 738 729 CONECT 739 728 CONECT 740 728 CONECT 741 727 742 743 CONECT 742 741 CONECT 743 741 744 856 CONECT 744 743 745 854 863 CONECT 745 744 746 747 CONECT 746 745 CONECT 747 745 748 853 CONECT 748 747 749 754 852 CONECT 749 748 750 752 753 CONECT 750 749 751 CONECT 751 750 CONECT 752 749 CONECT 753 749 CONECT 754 748 755 756 CONECT 755 754 CONECT 756 754 757 851 CONECT 757 756 758 773 850 CONECT 758 757 759 771 772 CONECT 759 758 760 764 CONECT 760 759 761 770 CONECT 761 760 762 769 CONECT 762 761 763 767 CONECT 763 762 764 766 CONECT 764 759 763 765 CONECT 765 764 CONECT 766 763 CONECT 767 762 768 CONECT 768 767 CONECT 769 761 CONECT 770 760 CONECT 771 758 CONECT 772 758 CONECT 773 757 774 775 CONECT 774 773 CONECT 775 773 776 849 CONECT 776 775 777 783 848 CONECT 777 776 778 781 782 CONECT 778 777 779 780 CONECT 779 778 CONECT 780 778 CONECT 781 777 CONECT 782 777 CONECT 783 776 784 785 CONECT 784 783 CONECT 785 783 786 847 CONECT 786 785 787 796 846 CONECT 787 786 788 794 795 CONECT 788 787 789 792 793 CONECT 789 788 790 791 CONECT 790 789 CONECT 791 789 CONECT 792 788 CONECT 793 788 CONECT 794 787 CONECT 795 787 CONECT 796 786 797 798 CONECT 797 796 CONECT 798 796 799 845 CONECT 799 798 800 804 844 CONECT 800 799 801 802 803 CONECT 801 800 CONECT 802 800 CONECT 803 800 CONECT 804 799 805 806 CONECT 805 804 CONECT 806 804 807 843 CONECT 807 806 808 821 842 CONECT 808 807 809 819 820 CONECT 809 808 810 814 818 CONECT 810 809 811 812 813 CONECT 811 810 CONECT 812 810 CONECT 813 810 CONECT 814 809 815 816 817 CONECT 815 814 CONECT 816 814 CONECT 817 814 CONECT 818 809 CONECT 819 808 CONECT 820 808 CONECT 821 807 822 823 CONECT 822 821 CONECT 823 821 824 841 CONECT 824 823 825 836 840 CONECT 825 824 826 834 835 CONECT 826 825 827 830 CONECT 827 826 828 CONECT 828 827 829 833 CONECT 829 828 830 832 CONECT 830 826 829 831 CONECT 831 830 CONECT 832 829 CONECT 833 828 CONECT 834 825 CONECT 835 825 CONECT 836 824 837 838 CONECT 837 836 CONECT 838 836 839 CONECT 839 838 CONECT 840 824 CONECT 841 823 CONECT 842 807 CONECT 843 806 CONECT 844 799 CONECT 845 798 CONECT 846 786 CONECT 847 785 CONECT 848 776 CONECT 849 775 CONECT 850 757 CONECT 851 756 CONECT 852 748 CONECT 853 747 CONECT 854 744 855 861 862 CONECT 855 854 856 859 860 CONECT 856 743 855 857 858 CONECT 857 856 CONECT 858 856 CONECT 859 855 CONECT 860 855 CONECT 861 854 CONECT 862 854 CONECT 863 744 CONECT 864 727 CONECT 865 726 CONECT 866 723 CONECT 867 723 CONECT 868 722 CONECT 869 711 CONECT 870 710 CONECT 871 710 CONECT 872 710 MASTER 0 0 0 0 0 0 0 0 871 1 167 4 END
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Related entries of code: 2ez5
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Complexes with the same small molecule ligand
PDB Code
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1avp
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11-mer
1bbz
RCSB PDB
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11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
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11-mer
1cwc
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11-mer
1cyn
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1d4t
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11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
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PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
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3eyf
RCSB PDB
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11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
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11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
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PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
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PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
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11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
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PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
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PDBbind
11-mer
3v2x
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11-mer
3va4
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PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
2ez5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase NEDD4
Ligand Name
11-mer
EC.Number
E.C.6.3.2.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=3uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
(2006) Structure Vol. 14: pp. 543-553
Ligand Properties
Formula
C
5
3
H
8
0
N
1
3
O
1
9
Molecular Weight
1203.280
Exact Mass
1202.570
No. of atoms
165
No. of bonds
167
Polar Surface Area
511.12
LOGP Value
-2.15 (
Computed with XLOGP3
)
-2.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 47
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 3
Canonical SMILES
OC[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)Cc1nc[nH]c1)CC(C)C)C)CCC(=O)O)CC(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)[NH3+])CC(C)C
InChI String
InChI=1S/C53H79N13O19/c1-25(2)16-33(46(77)64-37(53(84)85)19-30-21-55-24-57-30)61-44(75)27(5)58-45(76)32(13-14-41(71)72)60-48(79)35(20-42(73)74)63-47(78)34(18-29-9-11-31(69)12-10-29)62-49(80)38(23-67)65-50(81)39-8-7-15-66(39)52(83)36(17-26(3)4)59-40(70)22-56-51(82)43(54)28(6)68/h9-12,21,24-28,32-39,43,67-69H,7-8,13-20,22-23,54H2,1-6H3,(H,55,57)(H,56,82)(H,58,76)(H,59,70)(H,60,79)(H,61,75)(H,62,80)(H,63,78)(H,64,77)(H,65,81)(H,71,72)(H,73,74)(H,84,85)/p+1/t27-,28+,32-,33-,34-,35-,36-,37-,38-,39-,43-/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):
Q24139
Q9VVI3
Entrez Gene ID
NCBI Entrez Gene ID:
39717
39958
ASD
Information of known allosteric effects of PDB entries
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