Browse entries in the PDBbind-CN Database
HEADER 1I5H_COMPLEX COMPND 1I5H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 W 50 GLY SER PRO VAL ASP SER ASN ASP LEU GLY PRO LEU PRO SEQRES 2 W 50 PRO GLY TRP GLU GLU ARG THR HIS THR ASP GLY ARG VAL SEQRES 3 W 50 PHE PHE ILE ASN HIS ASN ILE LYS LYS THR GLN TRP GLU SEQRES 4 W 50 ASP PRO ARG MET GLN ASN VAL ALA ILE THR GLY HET GLY A 51 241 ATOM 1 N GLY W 450 9.771 -21.395 -13.202 1.00 0.00 N ATOM 2 CA GLY W 450 10.399 -22.701 -12.861 1.00 0.00 C ATOM 3 C GLY W 450 9.749 -23.363 -11.663 1.00 0.00 C ATOM 4 O GLY W 450 9.549 -22.729 -10.627 1.00 0.00 O ATOM 5 HA3 GLY W 450 11.453 -22.535 -12.640 1.00 0.00 H ATOM 6 HA2 GLY W 450 10.310 -23.367 -13.720 1.00 0.00 H ATOM 7 HN3 GLY W 450 9.858 -20.748 -12.392 1.00 0.00 H ATOM 8 HN2 GLY W 450 8.766 -21.543 -13.424 1.00 0.00 H ATOM 9 HN1 GLY W 450 10.253 -20.985 -14.028 1.00 0.00 H ATOM 10 N SER W 451 9.417 -24.642 -11.805 1.00 0.00 N ATOM 11 CA SER W 451 8.783 -25.391 -10.727 1.00 0.00 C ATOM 12 C SER W 451 7.391 -24.844 -10.429 1.00 0.00 C ATOM 13 O SER W 451 7.154 -24.274 -9.363 1.00 0.00 O ATOM 14 CB SER W 451 9.647 -25.339 -9.466 1.00 0.00 C ATOM 15 OG SER W 451 11.021 -25.482 -9.781 1.00 0.00 O ATOM 16 HA SER W 451 8.683 -26.428 -11.048 1.00 0.00 H ATOM 17 HB2 SER W 451 9.349 -26.146 -8.797 1.00 0.00 H ATOM 18 HB3 SER W 451 9.494 -24.381 -8.969 1.00 0.00 H ATOM 19 HG SER W 451 11.555 -25.445 -8.948 1.00 0.00 H ATOM 20 H SER W 451 9.614 -25.120 -12.707 1.00 0.00 H ATOM 21 N PRO W 452 6.446 -25.010 -11.371 1.00 0.00 N ATOM 22 CA PRO W 452 5.070 -24.529 -11.204 1.00 0.00 C ATOM 23 C PRO W 452 4.351 -25.222 -10.051 1.00 0.00 C ATOM 24 O PRO W 452 4.024 -26.405 -10.132 1.00 0.00 O ATOM 25 CB PRO W 452 4.399 -24.875 -12.539 1.00 0.00 C ATOM 26 CG PRO W 452 5.239 -25.958 -13.122 1.00 0.00 C ATOM 27 CD PRO W 452 6.643 -25.679 -12.669 1.00 0.00 C ATOM 28 HA PRO W 452 5.039 -23.466 -10.963 1.00 0.00 H ATOM 29 HD3 PRO W 452 7.208 -26.604 -12.552 1.00 0.00 H ATOM 30 HD2 PRO W 452 7.159 -25.026 -13.372 1.00 0.00 H ATOM 31 HG3 PRO W 452 5.181 -25.939 -14.210 1.00 0.00 H ATOM 32 HG2 PRO W 452 4.909 -26.931 -12.758 1.00 0.00 H ATOM 33 HB2 PRO W 452 3.380 -25.225 -12.377 1.00 0.00 H ATOM 34 HB3 PRO W 452 4.383 -24.006 -13.197 1.00 0.00 H ATOM 35 N VAL W 453 4.108 -24.475 -8.979 1.00 0.00 N ATOM 36 CA VAL W 453 3.427 -25.016 -7.808 1.00 0.00 C ATOM 37 C VAL W 453 2.855 -23.901 -6.940 1.00 0.00 C ATOM 38 O VAL W 453 3.303 -22.757 -7.007 1.00 0.00 O ATOM 39 CB VAL W 453 4.376 -25.879 -6.955 1.00 0.00 C ATOM 40 CG1 VAL W 453 4.670 -27.199 -7.651 1.00 0.00 C ATOM 41 CG2 VAL W 453 5.664 -25.125 -6.660 1.00 0.00 C ATOM 42 HA VAL W 453 2.613 -25.640 -8.177 1.00 0.00 H ATOM 43 HB VAL W 453 3.884 -26.097 -6.007 1.00 0.00 H ATOM 44 HG11 VAL W 453 3.738 -27.743 -7.804 1.00 0.00 H ATOM 45 HG12 VAL W 453 5.140 -27.003 -8.615 1.00 0.00 H ATOM 46 HG13 VAL W 453 5.342 -27.793 -7.032 1.00 0.00 H ATOM 47 HG21 VAL W 453 6.160 -24.875 -7.598 1.00 0.00 H ATOM 48 HG22 VAL W 453 5.431 -24.210 -6.115 1.00 0.00 H ATOM 49 HG23 VAL W 453 6.320 -25.752 -6.057 1.00 0.00 H ATOM 50 H VAL W 453 4.411 -23.480 -8.975 1.00 0.00 H ATOM 51 N ASP W 454 1.862 -24.243 -6.125 1.00 0.00 N ATOM 52 CA ASP W 454 1.227 -23.271 -5.243 1.00 0.00 C ATOM 53 C ASP W 454 1.913 -23.237 -3.881 1.00 0.00 C ATOM 54 O ASP W 454 1.253 -23.186 -2.844 1.00 0.00 O ATOM 55 CB ASP W 454 -0.256 -23.602 -5.070 1.00 0.00 C ATOM 56 CG ASP W 454 -0.490 -25.074 -4.789 1.00 0.00 C ATOM 57 OD1 ASP W 454 -0.145 -25.905 -5.655 1.00 0.00 O ATOM 58 OD2 ASP W 454 -1.016 -25.395 -3.703 1.00 0.00 O ATOM 59 HA ASP W 454 1.324 -22.287 -5.702 1.00 0.00 H ATOM 60 HB2 ASP W 454 -0.650 -23.019 -4.238 1.00 0.00 H ATOM 61 HB3 ASP W 454 -0.785 -23.331 -5.984 1.00 0.00 H ATOM 62 H ASP W 454 1.530 -25.228 -6.116 1.00 0.00 H ATOM 63 N SER W 455 3.242 -23.265 -3.890 1.00 0.00 N ATOM 64 CA SER W 455 4.015 -23.236 -2.653 1.00 0.00 C ATOM 65 C SER W 455 4.002 -21.841 -2.038 1.00 0.00 C ATOM 66 O SER W 455 3.649 -21.670 -0.871 1.00 0.00 O ATOM 67 CB SER W 455 5.456 -23.678 -2.916 1.00 0.00 C ATOM 68 OG SER W 455 6.021 -24.285 -1.767 1.00 0.00 O ATOM 69 HA SER W 455 3.554 -23.929 -1.949 1.00 0.00 H ATOM 70 HB2 SER W 455 6.052 -22.807 -3.188 1.00 0.00 H ATOM 71 HB3 SER W 455 5.465 -24.394 -3.738 1.00 0.00 H ATOM 72 HG SER W 455 6.951 -24.561 -1.964 1.00 0.00 H ATOM 73 H SER W 455 3.743 -23.309 -4.801 1.00 0.00 H ATOM 74 N ASN W 456 4.391 -20.848 -2.829 1.00 0.00 N ATOM 75 CA ASN W 456 4.425 -19.467 -2.363 1.00 0.00 C ATOM 76 C ASN W 456 4.016 -18.507 -3.476 1.00 0.00 C ATOM 77 O ASN W 456 4.804 -17.664 -3.903 1.00 0.00 O ATOM 78 CB ASN W 456 5.823 -19.112 -1.855 1.00 0.00 C ATOM 79 CG ASN W 456 6.916 -19.569 -2.803 1.00 0.00 C ATOM 80 OD1 ASN W 456 6.642 -19.989 -3.927 1.00 0.00 O ATOM 81 ND2 ASN W 456 8.162 -19.491 -2.350 1.00 0.00 N ATOM 82 HA ASN W 456 3.713 -19.369 -1.543 1.00 0.00 H ATOM 83 HB2 ASN W 456 5.889 -18.030 -1.739 1.00 0.00 H ATOM 84 HB3 ASN W 456 5.976 -19.590 -0.887 1.00 0.00 H ATOM 85 HD22 ASN W 456 8.345 -19.129 -1.392 1.00 0.00 H ATOM 86 HD21 ASN W 456 8.954 -19.792 -2.953 1.00 0.00 H ATOM 87 H ASN W 456 4.679 -21.061 -3.806 1.00 0.00 H ATOM 88 N ASP W 457 2.779 -18.644 -3.943 1.00 0.00 N ATOM 89 CA ASP W 457 2.265 -17.790 -5.007 1.00 0.00 C ATOM 90 C ASP W 457 0.862 -17.293 -4.674 1.00 0.00 C ATOM 91 O ASP W 457 0.008 -18.063 -4.236 1.00 0.00 O ATOM 92 CB ASP W 457 2.248 -18.549 -6.336 1.00 0.00 C ATOM 93 CG ASP W 457 3.511 -18.327 -7.146 1.00 0.00 C ATOM 94 OD1 ASP W 457 4.596 -18.226 -6.536 1.00 0.00 O ATOM 95 OD2 ASP W 457 3.414 -18.255 -8.389 1.00 0.00 O ATOM 96 HA ASP W 457 2.925 -16.927 -5.098 1.00 0.00 H ATOM 97 HB2 ASP W 457 2.147 -19.614 -6.129 1.00 0.00 H ATOM 98 HB3 ASP W 457 1.393 -18.211 -6.921 1.00 0.00 H ATOM 99 H ASP W 457 2.163 -19.378 -3.540 1.00 0.00 H ATOM 100 N LEU W 458 0.633 -16.001 -4.886 1.00 0.00 N ATOM 101 CA LEU W 458 -0.667 -15.401 -4.607 1.00 0.00 C ATOM 102 C LEU W 458 -1.260 -14.784 -5.869 1.00 0.00 C ATOM 103 O LEU W 458 -2.456 -14.913 -6.133 1.00 0.00 O ATOM 104 CB LEU W 458 -0.537 -14.336 -3.516 1.00 0.00 C ATOM 105 CG LEU W 458 -0.320 -14.880 -2.103 1.00 0.00 C ATOM 106 CD1 LEU W 458 -0.255 -13.741 -1.099 1.00 0.00 C ATOM 107 CD2 LEU W 458 -1.424 -15.859 -1.733 1.00 0.00 C ATOM 108 HA LEU W 458 -1.337 -16.187 -4.258 1.00 0.00 H ATOM 109 HB2 LEU W 458 0.310 -13.697 -3.766 1.00 0.00 H ATOM 110 HB3 LEU W 458 -1.451 -13.742 -3.513 1.00 0.00 H ATOM 111 HG LEU W 458 0.631 -15.412 -2.080 1.00 0.00 H ATOM 112 HD21 LEU W 458 -2.387 -15.350 -1.773 1.00 0.00 H ATOM 113 HD22 LEU W 458 -1.421 -16.691 -2.437 1.00 0.00 H ATOM 114 HD23 LEU W 458 -1.252 -16.235 -0.724 1.00 0.00 H ATOM 115 HD11 LEU W 458 0.572 -13.079 -1.355 1.00 0.00 H ATOM 116 HD12 LEU W 458 -1.190 -13.182 -1.124 1.00 0.00 H ATOM 117 HD13 LEU W 458 -0.100 -14.148 -0.100 1.00 0.00 H ATOM 118 H LEU W 458 1.398 -15.404 -5.259 1.00 0.00 H ATOM 119 N GLY W 459 -0.416 -14.113 -6.647 1.00 0.00 N ATOM 120 CA GLY W 459 -0.875 -13.486 -7.872 1.00 0.00 C ATOM 121 C GLY W 459 -1.144 -12.002 -7.700 1.00 0.00 C ATOM 122 O GLY W 459 -0.208 -11.211 -7.584 1.00 0.00 O ATOM 123 HA3 GLY W 459 -1.796 -13.974 -8.191 1.00 0.00 H ATOM 124 HA2 GLY W 459 -0.112 -13.617 -8.639 1.00 0.00 H ATOM 125 H GLY W 459 0.585 -14.037 -6.374 1.00 0.00 H ATOM 126 N PRO W 460 -2.423 -11.586 -7.680 1.00 0.00 N ATOM 127 CA PRO W 460 -2.790 -10.177 -7.520 1.00 0.00 C ATOM 128 C PRO W 460 -2.656 -9.701 -6.078 1.00 0.00 C ATOM 129 O PRO W 460 -3.611 -9.196 -5.490 1.00 0.00 O ATOM 130 CB PRO W 460 -4.252 -10.147 -7.961 1.00 0.00 C ATOM 131 CG PRO W 460 -4.769 -11.508 -7.643 1.00 0.00 C ATOM 132 CD PRO W 460 -3.609 -12.454 -7.814 1.00 0.00 C ATOM 133 HA PRO W 460 -2.141 -9.516 -8.095 1.00 0.00 H ATOM 134 HD3 PRO W 460 -3.617 -13.223 -7.041 1.00 0.00 H ATOM 135 HD2 PRO W 460 -3.635 -12.927 -8.796 1.00 0.00 H ATOM 136 HG3 PRO W 460 -5.576 -11.774 -8.325 1.00 0.00 H ATOM 137 HG2 PRO W 460 -5.136 -11.542 -6.617 1.00 0.00 H ATOM 138 HB2 PRO W 460 -4.805 -9.387 -7.410 1.00 0.00 H ATOM 139 HB3 PRO W 460 -4.328 -9.946 -9.030 1.00 0.00 H ATOM 140 N LEU W 461 -1.462 -9.863 -5.516 1.00 0.00 N ATOM 141 CA LEU W 461 -1.199 -9.447 -4.144 1.00 0.00 C ATOM 142 C LEU W 461 -2.160 -10.125 -3.170 1.00 0.00 C ATOM 143 O LEU W 461 -3.127 -10.764 -3.582 1.00 0.00 O ATOM 144 CB LEU W 461 -1.318 -7.927 -4.017 1.00 0.00 C ATOM 145 CG LEU W 461 -0.732 -7.131 -5.183 1.00 0.00 C ATOM 146 CD1 LEU W 461 -0.877 -5.638 -4.935 1.00 0.00 C ATOM 147 CD2 LEU W 461 0.729 -7.498 -5.396 1.00 0.00 C ATOM 148 HA LEU W 461 -0.183 -9.749 -3.892 1.00 0.00 H ATOM 149 HB2 LEU W 461 -2.376 -7.677 -3.934 1.00 0.00 H ATOM 150 HB3 LEU W 461 -0.802 -7.622 -3.107 1.00 0.00 H ATOM 151 HG LEU W 461 -1.286 -7.384 -6.087 1.00 0.00 H ATOM 152 HD21 LEU W 461 1.295 -7.272 -4.492 1.00 0.00 H ATOM 153 HD22 LEU W 461 0.806 -8.562 -5.618 1.00 0.00 H ATOM 154 HD23 LEU W 461 1.129 -6.922 -6.230 1.00 0.00 H ATOM 155 HD11 LEU W 461 -1.933 -5.389 -4.831 1.00 0.00 H ATOM 156 HD12 LEU W 461 -0.347 -5.370 -4.021 1.00 0.00 H ATOM 157 HD13 LEU W 461 -0.454 -5.089 -5.776 1.00 0.00 H ATOM 158 H LEU W 461 -0.696 -10.298 -6.069 1.00 0.00 H ATOM 159 N PRO W 462 -1.902 -9.991 -1.857 1.00 0.00 N ATOM 160 CA PRO W 462 -2.744 -10.590 -0.816 1.00 0.00 C ATOM 161 C PRO W 462 -4.114 -9.921 -0.734 1.00 0.00 C ATOM 162 O PRO W 462 -4.398 -8.979 -1.474 1.00 0.00 O ATOM 163 CB PRO W 462 -1.950 -10.357 0.480 1.00 0.00 C ATOM 164 CG PRO W 462 -0.590 -9.917 0.048 1.00 0.00 C ATOM 165 CD PRO W 462 -0.774 -9.249 -1.280 1.00 0.00 C ATOM 166 HA PRO W 462 -2.948 -11.643 -1.013 1.00 0.00 H ATOM 167 HD3 PRO W 462 -1.017 -8.193 -1.160 1.00 0.00 H ATOM 168 HD2 PRO W 462 0.119 -9.347 -1.897 1.00 0.00 H ATOM 169 HG3 PRO W 462 0.073 -10.776 -0.049 1.00 0.00 H ATOM 170 HG2 PRO W 462 -0.171 -9.216 0.770 1.00 0.00 H ATOM 171 HB2 PRO W 462 -2.426 -9.584 1.084 1.00 0.00 H ATOM 172 HB3 PRO W 462 -1.886 -11.279 1.058 1.00 0.00 H ATOM 173 N PRO W 463 -4.987 -10.399 0.170 1.00 0.00 N ATOM 174 CA PRO W 463 -6.334 -9.838 0.339 1.00 0.00 C ATOM 175 C PRO W 463 -6.311 -8.462 0.995 1.00 0.00 C ATOM 176 O PRO W 463 -5.630 -8.253 1.999 1.00 0.00 O ATOM 177 CB PRO W 463 -7.026 -10.854 1.249 1.00 0.00 C ATOM 178 CG PRO W 463 -5.920 -11.481 2.022 1.00 0.00 C ATOM 179 CD PRO W 463 -4.736 -11.521 1.095 1.00 0.00 C ATOM 180 HA PRO W 463 -6.837 -9.687 -0.616 1.00 0.00 H ATOM 181 HD3 PRO W 463 -3.806 -11.374 1.644 1.00 0.00 H ATOM 182 HD2 PRO W 463 -4.693 -12.468 0.557 1.00 0.00 H ATOM 183 HG3 PRO W 463 -6.196 -12.490 2.328 1.00 0.00 H ATOM 184 HG2 PRO W 463 -5.690 -10.885 2.905 1.00 0.00 H ATOM 185 HB2 PRO W 463 -7.729 -10.356 1.917 1.00 0.00 H ATOM 186 HB3 PRO W 463 -7.555 -11.602 0.659 1.00 0.00 H ATOM 187 N GLY W 464 -7.059 -7.524 0.421 1.00 0.00 N ATOM 188 CA GLY W 464 -7.106 -6.179 0.964 1.00 0.00 C ATOM 189 C GLY W 464 -5.940 -5.316 0.511 1.00 0.00 C ATOM 190 O GLY W 464 -5.909 -4.116 0.784 1.00 0.00 O ATOM 191 HA3 GLY W 464 -7.090 -6.242 2.052 1.00 0.00 H ATOM 192 HA2 GLY W 464 -8.034 -5.706 0.643 1.00 0.00 H ATOM 193 H GLY W 464 -7.616 -7.757 -0.426 1.00 0.00 H ATOM 194 N TRP W 465 -4.976 -5.925 -0.175 1.00 0.00 N ATOM 195 CA TRP W 465 -3.805 -5.202 -0.656 1.00 0.00 C ATOM 196 C TRP W 465 -4.021 -4.678 -2.072 1.00 0.00 C ATOM 197 O TRP W 465 -4.967 -5.069 -2.756 1.00 0.00 O ATOM 198 CB TRP W 465 -2.577 -6.108 -0.604 1.00 0.00 C ATOM 199 CG TRP W 465 -2.046 -6.289 0.778 1.00 0.00 C ATOM 200 CD1 TRP W 465 -2.459 -7.199 1.707 1.00 0.00 C ATOM 201 CD2 TRP W 465 -1.005 -5.529 1.391 1.00 0.00 C ATOM 202 NE1 TRP W 465 -1.726 -7.056 2.860 1.00 0.00 N ATOM 203 CE2 TRP W 465 -0.828 -6.036 2.688 1.00 0.00 C ATOM 204 CE3 TRP W 465 -0.200 -4.469 0.964 1.00 0.00 C ATOM 205 CZ2 TRP W 465 0.119 -5.519 3.563 1.00 0.00 C ATOM 206 CZ3 TRP W 465 0.740 -3.957 1.834 1.00 0.00 C ATOM 207 CH2 TRP W 465 0.894 -4.482 3.121 1.00 0.00 C ATOM 208 HA TRP W 465 -3.643 -4.343 -0.006 1.00 0.00 H ATOM 209 HB2 TRP W 465 -2.849 -7.085 -1.003 1.00 0.00 H ATOM 210 HB3 TRP W 465 -1.794 -5.669 -1.223 1.00 0.00 H ATOM 211 HE1 TRP W 465 -1.835 -7.628 3.722 1.00 0.00 H ATOM 212 HD1 TRP W 465 -3.253 -7.931 1.557 1.00 0.00 H ATOM 213 HZ2 TRP W 465 0.240 -5.926 4.567 1.00 0.00 H ATOM 214 HH2 TRP W 465 1.646 -4.057 3.785 1.00 0.00 H ATOM 215 HZ3 TRP W 465 1.373 -3.130 1.513 1.00 0.00 H ATOM 216 HE3 TRP W 465 -0.313 -4.055 -0.038 1.00 0.00 H ATOM 217 H TRP W 465 -5.060 -6.943 -0.373 1.00 0.00 H ATOM 218 N GLU W 466 -3.141 -3.776 -2.497 1.00 0.00 N ATOM 219 CA GLU W 466 -3.231 -3.177 -3.822 1.00 0.00 C ATOM 220 C GLU W 466 -1.848 -2.794 -4.341 1.00 0.00 C ATOM 221 O GLU W 466 -0.989 -2.358 -3.576 1.00 0.00 O ATOM 222 CB GLU W 466 -4.124 -1.934 -3.769 1.00 0.00 C ATOM 223 CG GLU W 466 -5.256 -1.952 -4.784 1.00 0.00 C ATOM 224 CD GLU W 466 -4.829 -1.427 -6.141 1.00 0.00 C ATOM 225 OE1 GLU W 466 -3.680 -1.698 -6.548 1.00 0.00 O ATOM 226 OE2 GLU W 466 -5.646 -0.747 -6.799 1.00 0.00 O ATOM 227 HA GLU W 466 -3.664 -3.910 -4.502 1.00 0.00 H ATOM 228 HB2 GLU W 466 -4.557 -1.863 -2.771 1.00 0.00 H ATOM 229 HB3 GLU W 466 -3.505 -1.057 -3.958 1.00 0.00 H ATOM 230 HG2 GLU W 466 -5.605 -2.978 -4.900 1.00 0.00 H ATOM 231 HG3 GLU W 466 -6.071 -1.332 -4.410 1.00 0.00 H ATOM 232 H GLU W 466 -2.366 -3.490 -1.865 1.00 0.00 H ATOM 233 N GLU W 467 -1.638 -2.948 -5.644 1.00 0.00 N ATOM 234 CA GLU W 467 -0.359 -2.598 -6.249 1.00 0.00 C ATOM 235 C GLU W 467 -0.401 -1.174 -6.791 1.00 0.00 C ATOM 236 O GLU W 467 -0.970 -0.920 -7.853 1.00 0.00 O ATOM 237 CB GLU W 467 -0.012 -3.576 -7.374 1.00 0.00 C ATOM 238 CG GLU W 467 -0.960 -3.501 -8.559 1.00 0.00 C ATOM 239 CD GLU W 467 -1.163 -4.845 -9.231 1.00 0.00 C ATOM 240 OE1 GLU W 467 -0.306 -5.735 -9.049 1.00 0.00 O ATOM 241 OE2 GLU W 467 -2.180 -5.008 -9.939 1.00 0.00 O ATOM 242 HA GLU W 467 0.412 -2.661 -5.481 1.00 0.00 H ATOM 243 HB2 GLU W 467 0.996 -3.355 -7.724 1.00 0.00 H ATOM 244 HB3 GLU W 467 -0.042 -4.589 -6.972 1.00 0.00 H ATOM 245 HG2 GLU W 467 -1.926 -3.135 -8.211 1.00 0.00 H ATOM 246 HG3 GLU W 467 -0.551 -2.803 -9.290 1.00 0.00 H ATOM 247 H GLU W 467 -2.400 -3.325 -6.243 1.00 0.00 H ATOM 248 N ARG W 468 0.201 -0.246 -6.056 1.00 0.00 N ATOM 249 CA ARG W 468 0.224 1.154 -6.465 1.00 0.00 C ATOM 250 C ARG W 468 1.603 1.548 -6.981 1.00 0.00 C ATOM 251 O ARG W 468 2.624 1.097 -6.462 1.00 0.00 O ATOM 252 CB ARG W 468 -0.176 2.056 -5.298 1.00 0.00 C ATOM 253 CG ARG W 468 -1.658 2.388 -5.263 1.00 0.00 C ATOM 254 CD ARG W 468 -1.956 3.684 -6.000 1.00 0.00 C ATOM 255 NE ARG W 468 -1.904 3.512 -7.449 1.00 0.00 N ATOM 256 CZ ARG W 468 -2.892 2.986 -8.165 1.00 0.00 C ATOM 257 NH1 ARG W 468 -4.007 2.588 -7.568 1.00 0.00 N ATOM 258 NH2 ARG W 468 -2.768 2.859 -9.479 1.00 0.00 N ATOM 259 HA ARG W 468 -0.495 1.281 -7.274 1.00 0.00 H ATOM 260 HB2 ARG W 468 0.086 1.552 -4.368 1.00 0.00 H ATOM 261 HB3 ARG W 468 0.384 2.988 -5.375 1.00 0.00 H ATOM 262 HG2 ARG W 468 -2.214 1.577 -5.733 1.00 0.00 H ATOM 263 HG3 ARG W 468 -1.974 2.490 -4.225 1.00 0.00 H ATOM 264 HD2 ARG W 468 -1.220 4.433 -5.707 1.00 0.00 H ATOM 265 HD3 ARG W 468 -2.952 4.027 -5.721 1.00 0.00 H ATOM 266 HE ARG W 468 -1.045 3.819 -7.949 1.00 0.00 H ATOM 267 HH12 ARG W 468 -4.779 2.177 -8.130 1.00 0.00 H ATOM 268 HH11 ARG W 468 -4.109 2.687 -6.538 1.00 0.00 H ATOM 269 HH22 ARG W 468 -3.543 2.447 -10.037 1.00 0.00 H ATOM 270 HH21 ARG W 468 -1.896 3.171 -9.952 1.00 0.00 H ATOM 271 H ARG W 468 0.667 -0.524 -5.169 1.00 0.00 H ATOM 272 N THR W 469 1.622 2.391 -8.007 1.00 0.00 N ATOM 273 CA THR W 469 2.875 2.847 -8.599 1.00 0.00 C ATOM 274 C THR W 469 3.433 4.052 -7.850 1.00 0.00 C ATOM 275 O THR W 469 2.746 5.058 -7.671 1.00 0.00 O ATOM 276 CB THR W 469 2.693 3.220 -10.081 1.00 0.00 C ATOM 277 OG1 THR W 469 1.448 3.906 -10.265 1.00 0.00 O ATOM 278 CG2 THR W 469 2.727 1.979 -10.960 1.00 0.00 C ATOM 279 HA THR W 469 3.579 2.018 -8.523 1.00 0.00 H ATOM 280 HB THR W 469 3.515 3.874 -10.371 1.00 0.00 H ATOM 281 HG1 THR W 469 1.443 4.731 -9.718 1.00 0.00 H ATOM 282 HG23 THR W 469 3.675 1.460 -10.817 1.00 0.00 H ATOM 283 HG21 THR W 469 1.905 1.318 -10.685 1.00 0.00 H ATOM 284 HG22 THR W 469 2.626 2.272 -12.005 1.00 0.00 H ATOM 285 H THR W 469 0.722 2.735 -8.398 1.00 0.00 H ATOM 286 N HIS W 470 4.685 3.943 -7.417 1.00 0.00 N ATOM 287 CA HIS W 470 5.339 5.024 -6.689 1.00 0.00 C ATOM 288 C HIS W 470 5.797 6.122 -7.644 1.00 0.00 C ATOM 289 O HIS W 470 5.969 5.887 -8.840 1.00 0.00 O ATOM 290 CB HIS W 470 6.534 4.483 -5.902 1.00 0.00 C ATOM 291 CG HIS W 470 7.006 5.406 -4.821 1.00 0.00 C ATOM 292 ND1 HIS W 470 6.263 5.618 -3.686 1.00 0.00 N ATOM 293 CD2 HIS W 470 8.145 6.138 -4.750 1.00 0.00 C ATOM 294 CE1 HIS W 470 6.960 6.468 -2.953 1.00 0.00 C ATOM 295 NE2 HIS W 470 8.107 6.812 -3.556 1.00 0.00 N ATOM 296 HA HIS W 470 4.618 5.452 -5.993 1.00 0.00 H ATOM 297 HB2 HIS W 470 6.247 3.536 -5.446 1.00 0.00 H ATOM 298 HB3 HIS W 470 7.357 4.315 -6.596 1.00 0.00 H ATOM 299 HD2 HIS W 470 8.937 6.182 -5.497 1.00 0.00 H ATOM 300 HE1 HIS W 470 6.642 6.843 -1.980 1.00 0.00 H ATOM 301 H HIS W 470 5.211 3.065 -7.602 1.00 0.00 H ATOM 302 N THR W 471 5.991 7.322 -7.106 1.00 0.00 N ATOM 303 CA THR W 471 6.430 8.457 -7.909 1.00 0.00 C ATOM 304 C THR W 471 7.733 8.150 -8.640 1.00 0.00 C ATOM 305 O THR W 471 8.054 8.783 -9.646 1.00 0.00 O ATOM 306 CB THR W 471 6.625 9.714 -7.041 1.00 0.00 C ATOM 307 OG1 THR W 471 6.046 9.513 -5.747 1.00 0.00 O ATOM 308 CG2 THR W 471 5.993 10.929 -7.702 1.00 0.00 C ATOM 309 HA THR W 471 5.646 8.646 -8.642 1.00 0.00 H ATOM 310 HB THR W 471 7.695 9.892 -6.934 1.00 0.00 H ATOM 311 HG1 THR W 471 6.177 10.326 -5.198 1.00 0.00 H ATOM 312 HG23 THR W 471 6.437 11.078 -8.686 1.00 0.00 H ATOM 313 HG21 THR W 471 4.920 10.767 -7.807 1.00 0.00 H ATOM 314 HG22 THR W 471 6.170 11.810 -7.085 1.00 0.00 H ATOM 315 H THR W 471 5.826 7.454 -6.088 1.00 0.00 H ATOM 316 N ASP W 472 8.483 7.177 -8.129 1.00 0.00 N ATOM 317 CA ASP W 472 9.752 6.791 -8.737 1.00 0.00 C ATOM 318 C ASP W 472 9.555 5.716 -9.808 1.00 0.00 C ATOM 319 O ASP W 472 10.466 5.435 -10.587 1.00 0.00 O ATOM 320 CB ASP W 472 10.718 6.284 -7.665 1.00 0.00 C ATOM 321 CG ASP W 472 11.392 7.413 -6.911 1.00 0.00 C ATOM 322 OD1 ASP W 472 10.980 8.578 -7.095 1.00 0.00 O ATOM 323 OD2 ASP W 472 12.333 7.134 -6.139 1.00 0.00 O ATOM 324 HA ASP W 472 10.173 7.675 -9.217 1.00 0.00 H ATOM 325 HB2 ASP W 472 10.163 5.671 -6.955 1.00 0.00 H ATOM 326 HB3 ASP W 472 11.485 5.676 -8.145 1.00 0.00 H ATOM 327 H ASP W 472 8.157 6.680 -7.276 1.00 0.00 H ATOM 328 N GLY W 473 8.366 5.118 -9.844 1.00 0.00 N ATOM 329 CA GLY W 473 8.085 4.086 -10.826 1.00 0.00 C ATOM 330 C GLY W 473 7.981 2.705 -10.209 1.00 0.00 C ATOM 331 O GLY W 473 7.417 1.791 -10.811 1.00 0.00 O ATOM 332 HA3 GLY W 473 8.887 4.079 -11.564 1.00 0.00 H ATOM 333 HA2 GLY W 473 7.141 4.320 -11.318 1.00 0.00 H ATOM 334 H GLY W 473 7.631 5.393 -9.162 1.00 0.00 H ATOM 335 N ARG W 474 8.519 2.552 -9.002 1.00 0.00 N ATOM 336 CA ARG W 474 8.474 1.272 -8.303 1.00 0.00 C ATOM 337 C ARG W 474 7.099 1.048 -7.682 1.00 0.00 C ATOM 338 O ARG W 474 6.631 1.858 -6.882 1.00 0.00 O ATOM 339 CB ARG W 474 9.554 1.223 -7.219 1.00 0.00 C ATOM 340 CG ARG W 474 10.962 1.059 -7.772 1.00 0.00 C ATOM 341 CD ARG W 474 11.846 2.243 -7.410 1.00 0.00 C ATOM 342 NE ARG W 474 13.187 2.118 -7.973 1.00 0.00 N ATOM 343 CZ ARG W 474 14.057 3.121 -8.031 1.00 0.00 C ATOM 344 NH1 ARG W 474 13.724 4.316 -7.563 1.00 0.00 N ATOM 345 NH2 ARG W 474 15.259 2.931 -8.558 1.00 0.00 N ATOM 346 HA ARG W 474 8.662 0.478 -9.026 1.00 0.00 H ATOM 347 HB2 ARG W 474 9.513 2.151 -6.649 1.00 0.00 H ATOM 348 HB3 ARG W 474 9.342 0.382 -6.558 1.00 0.00 H ATOM 349 HG2 ARG W 474 11.401 0.150 -7.360 1.00 0.00 H ATOM 350 HG3 ARG W 474 10.909 0.975 -8.857 1.00 0.00 H ATOM 351 HD2 ARG W 474 11.924 2.305 -6.325 1.00 0.00 H ATOM 352 HD3 ARG W 474 11.387 3.155 -7.793 1.00 0.00 H ATOM 353 HE ARG W 474 13.478 1.193 -8.349 1.00 0.00 H ATOM 354 HH12 ARG W 474 14.405 5.101 -7.609 1.00 0.00 H ATOM 355 HH11 ARG W 474 12.782 4.469 -7.150 1.00 0.00 H ATOM 356 HH22 ARG W 474 15.938 3.718 -8.602 1.00 0.00 H ATOM 357 HH21 ARG W 474 15.523 1.995 -8.927 1.00 0.00 H ATOM 358 H ARG W 474 8.982 3.364 -8.546 1.00 0.00 H ATOM 359 N VAL W 475 6.449 -0.050 -8.060 1.00 0.00 N ATOM 360 CA VAL W 475 5.123 -0.364 -7.539 1.00 0.00 C ATOM 361 C VAL W 475 5.205 -0.965 -6.140 1.00 0.00 C ATOM 362 O VAL W 475 5.677 -2.088 -5.961 1.00 0.00 O ATOM 363 CB VAL W 475 4.378 -1.343 -8.462 1.00 0.00 C ATOM 364 CG1 VAL W 475 5.115 -2.688 -8.516 1.00 0.00 C ATOM 365 CG2 VAL W 475 2.916 -1.480 -8.013 1.00 0.00 C ATOM 366 HA VAL W 475 4.572 0.575 -7.493 1.00 0.00 H ATOM 367 HB VAL W 475 4.363 -0.952 -9.480 1.00 0.00 H ATOM 368 HG11 VAL W 475 6.123 -2.533 -8.900 1.00 0.00 H ATOM 369 HG12 VAL W 475 5.168 -3.113 -7.513 1.00 0.00 H ATOM 370 HG13 VAL W 475 4.576 -3.370 -9.173 1.00 0.00 H ATOM 371 HG21 VAL W 475 2.885 -1.856 -6.991 1.00 0.00 H ATOM 372 HG22 VAL W 475 2.431 -0.505 -8.057 1.00 0.00 H ATOM 373 HG23 VAL W 475 2.398 -2.175 -8.673 1.00 0.00 H ATOM 374 H VAL W 475 6.895 -0.697 -8.741 1.00 0.00 H ATOM 375 N PHE W 476 4.735 -0.211 -5.151 1.00 0.00 N ATOM 376 CA PHE W 476 4.745 -0.668 -3.765 1.00 0.00 C ATOM 377 C PHE W 476 3.432 -1.363 -3.408 1.00 0.00 C ATOM 378 O PHE W 476 2.511 -1.424 -4.222 1.00 0.00 O ATOM 379 CB PHE W 476 4.993 0.509 -2.820 1.00 0.00 C ATOM 380 CG PHE W 476 3.894 1.530 -2.833 1.00 0.00 C ATOM 381 CD1 PHE W 476 2.816 1.413 -1.974 1.00 0.00 C ATOM 382 CD2 PHE W 476 3.938 2.606 -3.706 1.00 0.00 C ATOM 383 CE1 PHE W 476 1.799 2.349 -1.982 1.00 0.00 C ATOM 384 CE2 PHE W 476 2.926 3.545 -3.720 1.00 0.00 C ATOM 385 CZ PHE W 476 1.855 3.417 -2.857 1.00 0.00 C ATOM 386 HA PHE W 476 5.554 -1.389 -3.652 1.00 0.00 H ATOM 387 HB2 PHE W 476 5.093 0.122 -1.806 1.00 0.00 H ATOM 388 HB3 PHE W 476 5.922 0.998 -3.114 1.00 0.00 H ATOM 389 HD2 PHE W 476 4.781 2.712 -4.389 1.00 0.00 H ATOM 390 HE2 PHE W 476 2.972 4.386 -4.411 1.00 0.00 H ATOM 391 HZ PHE W 476 1.055 4.157 -2.866 1.00 0.00 H ATOM 392 HE1 PHE W 476 0.955 2.245 -1.300 1.00 0.00 H ATOM 393 HD1 PHE W 476 2.768 0.572 -1.282 1.00 0.00 H ATOM 394 H PHE W 476 4.350 0.730 -5.371 1.00 0.00 H ATOM 395 N PHE W 477 3.354 -1.885 -2.185 1.00 0.00 N ATOM 396 CA PHE W 477 2.151 -2.573 -1.723 1.00 0.00 C ATOM 397 C PHE W 477 1.383 -1.719 -0.715 1.00 0.00 C ATOM 398 O PHE W 477 1.979 -0.953 0.042 1.00 0.00 O ATOM 399 CB PHE W 477 2.517 -3.918 -1.095 1.00 0.00 C ATOM 400 CG PHE W 477 3.253 -4.837 -2.027 1.00 0.00 C ATOM 401 CD1 PHE W 477 4.560 -4.565 -2.399 1.00 0.00 C ATOM 402 CD2 PHE W 477 2.639 -5.973 -2.531 1.00 0.00 C ATOM 403 CE1 PHE W 477 5.241 -5.409 -3.255 1.00 0.00 C ATOM 404 CE2 PHE W 477 3.315 -6.820 -3.388 1.00 0.00 C ATOM 405 CZ PHE W 477 4.618 -6.538 -3.751 1.00 0.00 C ATOM 406 HA PHE W 477 1.509 -2.745 -2.587 1.00 0.00 H ATOM 407 HB2 PHE W 477 3.147 -3.732 -0.225 1.00 0.00 H ATOM 408 HB3 PHE W 477 1.598 -4.412 -0.778 1.00 0.00 H ATOM 409 HD2 PHE W 477 1.611 -6.201 -2.248 1.00 0.00 H ATOM 410 HE2 PHE W 477 2.821 -7.710 -3.777 1.00 0.00 H ATOM 411 HZ PHE W 477 5.153 -7.205 -4.427 1.00 0.00 H ATOM 412 HE1 PHE W 477 6.269 -5.184 -3.539 1.00 0.00 H ATOM 413 HD1 PHE W 477 5.056 -3.675 -2.012 1.00 0.00 H ATOM 414 H PHE W 477 4.169 -1.801 -1.544 1.00 0.00 H ATOM 415 N ILE W 478 0.060 -1.855 -0.708 1.00 0.00 N ATOM 416 CA ILE W 478 -0.783 -1.092 0.209 1.00 0.00 C ATOM 417 C ILE W 478 -1.989 -1.909 0.657 1.00 0.00 C ATOM 418 O ILE W 478 -2.726 -2.434 -0.168 1.00 0.00 O ATOM 419 CB ILE W 478 -1.283 0.214 -0.451 1.00 0.00 C ATOM 420 CG1 ILE W 478 -2.204 0.997 0.497 1.00 0.00 C ATOM 421 CG2 ILE W 478 -1.993 -0.095 -1.759 1.00 0.00 C ATOM 422 CD1 ILE W 478 -2.990 2.117 -0.173 1.00 0.00 C ATOM 423 HA ILE W 478 -0.170 -0.848 1.077 1.00 0.00 H ATOM 424 HB ILE W 478 -0.417 0.841 -0.665 1.00 0.00 H ATOM 425 HG12 ILE W 478 -2.915 0.298 0.938 1.00 0.00 H ATOM 426 HG13 ILE W 478 -1.591 1.434 1.285 1.00 0.00 H ATOM 427 HD11 ILE W 478 -2.296 2.836 -0.609 1.00 0.00 H ATOM 428 HD12 ILE W 478 -3.621 1.698 -0.957 1.00 0.00 H ATOM 429 HD13 ILE W 478 -3.613 2.616 0.569 1.00 0.00 H ATOM 430 HG21 ILE W 478 -1.301 -0.595 -2.437 1.00 0.00 H ATOM 431 HG22 ILE W 478 -2.846 -0.745 -1.563 1.00 0.00 H ATOM 432 HG23 ILE W 478 -2.339 0.834 -2.211 1.00 0.00 H ATOM 433 H ILE W 478 -0.385 -2.521 -1.372 1.00 0.00 H ATOM 434 N ASN W 479 -2.193 -2.004 1.965 1.00 0.00 N ATOM 435 CA ASN W 479 -3.320 -2.758 2.498 1.00 0.00 C ATOM 436 C ASN W 479 -4.513 -1.837 2.758 1.00 0.00 C ATOM 437 O ASN W 479 -4.342 -0.651 3.036 1.00 0.00 O ATOM 438 CB ASN W 479 -2.912 -3.493 3.780 1.00 0.00 C ATOM 439 CG ASN W 479 -2.820 -2.578 4.988 1.00 0.00 C ATOM 440 OD1 ASN W 479 -2.741 -1.358 4.852 1.00 0.00 O ATOM 441 ND2 ASN W 479 -2.827 -3.169 6.176 1.00 0.00 N ATOM 442 HA ASN W 479 -3.620 -3.499 1.757 1.00 0.00 H ATOM 443 HB2 ASN W 479 -3.651 -4.267 3.986 1.00 0.00 H ATOM 444 HB3 ASN W 479 -1.938 -3.956 3.620 1.00 0.00 H ATOM 445 HD22 ASN W 479 -2.895 -4.205 6.241 1.00 0.00 H ATOM 446 HD21 ASN W 479 -2.764 -2.597 7.042 1.00 0.00 H ATOM 447 H ASN W 479 -1.537 -1.532 2.620 1.00 0.00 H ATOM 448 N HIS W 480 -5.719 -2.389 2.651 1.00 0.00 N ATOM 449 CA HIS W 480 -6.935 -1.609 2.862 1.00 0.00 C ATOM 450 C HIS W 480 -7.645 -2.005 4.155 1.00 0.00 C ATOM 451 O HIS W 480 -8.818 -1.685 4.346 1.00 0.00 O ATOM 452 CB HIS W 480 -7.886 -1.784 1.677 1.00 0.00 C ATOM 453 CG HIS W 480 -7.545 -0.918 0.503 1.00 0.00 C ATOM 454 ND1 HIS W 480 -8.521 -0.399 -0.311 1.00 0.00 N ATOM 455 CD2 HIS W 480 -6.332 -0.514 0.054 1.00 0.00 C ATOM 456 CE1 HIS W 480 -7.887 0.305 -1.232 1.00 0.00 C ATOM 457 NE2 HIS W 480 -6.558 0.265 -1.051 1.00 0.00 N ATOM 458 HA HIS W 480 -6.642 -0.562 2.946 1.00 0.00 H ATOM 459 HB2 HIS W 480 -7.853 -2.826 1.359 1.00 0.00 H ATOM 460 HB3 HIS W 480 -8.896 -1.538 2.006 1.00 0.00 H ATOM 461 HD2 HIS W 480 -5.363 -0.761 0.488 1.00 0.00 H ATOM 462 HE1 HIS W 480 -8.381 0.849 -2.037 1.00 0.00 H ATOM 463 H HIS W 480 -5.797 -3.398 2.412 1.00 0.00 H ATOM 464 N ASN W 481 -6.934 -2.691 5.045 1.00 0.00 N ATOM 465 CA ASN W 481 -7.517 -3.110 6.317 1.00 0.00 C ATOM 466 C ASN W 481 -7.342 -2.022 7.368 1.00 0.00 C ATOM 467 O ASN W 481 -8.283 -1.675 8.083 1.00 0.00 O ATOM 468 CB ASN W 481 -6.879 -4.412 6.805 1.00 0.00 C ATOM 469 CG ASN W 481 -6.542 -5.360 5.672 1.00 0.00 C ATOM 470 OD1 ASN W 481 -7.372 -6.166 5.251 1.00 0.00 O ATOM 471 ND2 ASN W 481 -5.316 -5.267 5.173 1.00 0.00 N ATOM 472 HA ASN W 481 -8.582 -3.282 6.159 1.00 0.00 H ATOM 473 HB2 ASN W 481 -5.962 -4.171 7.343 1.00 0.00 H ATOM 474 HB3 ASN W 481 -7.575 -4.909 7.481 1.00 0.00 H ATOM 475 HD22 ASN W 481 -4.648 -4.570 5.561 1.00 0.00 H ATOM 476 HD21 ASN W 481 -5.023 -5.891 4.394 1.00 0.00 H ATOM 477 H ASN W 481 -5.945 -2.933 4.832 1.00 0.00 H ATOM 478 N ILE W 482 -6.132 -1.481 7.450 1.00 0.00 N ATOM 479 CA ILE W 482 -5.826 -0.424 8.405 1.00 0.00 C ATOM 480 C ILE W 482 -5.116 0.735 7.715 1.00 0.00 C ATOM 481 O ILE W 482 -4.371 1.485 8.345 1.00 0.00 O ATOM 482 CB ILE W 482 -4.945 -0.941 9.558 1.00 0.00 C ATOM 483 CG1 ILE W 482 -3.863 -1.881 9.024 1.00 0.00 C ATOM 484 CG2 ILE W 482 -5.797 -1.645 10.602 1.00 0.00 C ATOM 485 CD1 ILE W 482 -3.055 -2.552 10.113 1.00 0.00 C ATOM 486 HA ILE W 482 -6.774 -0.079 8.817 1.00 0.00 H ATOM 487 HB ILE W 482 -4.457 -0.088 10.030 1.00 0.00 H ATOM 488 HG12 ILE W 482 -4.343 -2.654 8.424 1.00 0.00 H ATOM 489 HG13 ILE W 482 -3.184 -1.304 8.396 1.00 0.00 H ATOM 490 HD11 ILE W 482 -2.559 -1.792 10.716 1.00 0.00 H ATOM 491 HD12 ILE W 482 -3.719 -3.143 10.744 1.00 0.00 H ATOM 492 HD13 ILE W 482 -2.307 -3.203 9.660 1.00 0.00 H ATOM 493 HG21 ILE W 482 -6.531 -0.946 11.002 1.00 0.00 H ATOM 494 HG22 ILE W 482 -6.311 -2.489 10.141 1.00 0.00 H ATOM 495 HG23 ILE W 482 -5.158 -2.004 11.409 1.00 0.00 H ATOM 496 H ILE W 482 -5.382 -1.821 6.815 1.00 0.00 H ATOM 497 N LYS W 483 -5.355 0.874 6.411 1.00 0.00 N ATOM 498 CA LYS W 483 -4.744 1.939 5.617 1.00 0.00 C ATOM 499 C LYS W 483 -3.268 2.119 5.966 1.00 0.00 C ATOM 500 O LYS W 483 -2.893 3.069 6.653 1.00 0.00 O ATOM 501 CB LYS W 483 -5.495 3.258 5.828 1.00 0.00 C ATOM 502 CG LYS W 483 -6.986 3.085 6.082 1.00 0.00 C ATOM 503 CD LYS W 483 -7.609 2.088 5.118 1.00 0.00 C ATOM 504 CE LYS W 483 -8.920 2.606 4.550 1.00 0.00 C ATOM 505 NZ LYS W 483 -9.740 1.514 3.957 1.00 0.00 N ATOM 506 HA LYS W 483 -4.811 1.650 4.568 1.00 0.00 H ATOM 507 HB2 LYS W 483 -5.057 3.769 6.686 1.00 0.00 H ATOM 508 HB3 LYS W 483 -5.367 3.872 4.937 1.00 0.00 H ATOM 509 HG2 LYS W 483 -7.132 2.729 7.102 1.00 0.00 H ATOM 510 HG3 LYS W 483 -7.479 4.049 5.961 1.00 0.00 H ATOM 511 HD2 LYS W 483 -6.914 1.907 4.298 1.00 0.00 H ATOM 512 HD3 LYS W 483 -7.797 1.154 5.647 1.00 0.00 H ATOM 513 HE2 LYS W 483 -8.702 3.343 3.777 1.00 0.00 H ATOM 514 HE3 LYS W 483 -9.489 3.079 5.351 1.00 0.00 H ATOM 515 HZ1 LYS W 483 -9.208 1.061 3.187 1.00 0.00 H ATOM 516 HZ2 LYS W 483 -9.958 0.809 4.690 1.00 0.00 H ATOM 517 HZ3 LYS W 483 -10.625 1.911 3.582 1.00 0.00 H ATOM 518 H LYS W 483 -5.997 0.203 5.943 1.00 0.00 H ATOM 519 N LYS W 484 -2.438 1.197 5.488 1.00 0.00 N ATOM 520 CA LYS W 484 -1.004 1.250 5.750 1.00 0.00 C ATOM 521 C LYS W 484 -0.217 0.595 4.621 1.00 0.00 C ATOM 522 O LYS W 484 -0.327 -0.609 4.390 1.00 0.00 O ATOM 523 CB LYS W 484 -0.683 0.561 7.075 1.00 0.00 C ATOM 524 CG LYS W 484 0.365 1.288 7.902 1.00 0.00 C ATOM 525 CD LYS W 484 1.129 0.327 8.798 1.00 0.00 C ATOM 526 CE LYS W 484 2.631 0.509 8.659 1.00 0.00 C ATOM 527 NZ LYS W 484 3.372 -0.066 9.816 1.00 0.00 N ATOM 528 HA LYS W 484 -0.711 2.298 5.811 1.00 0.00 H ATOM 529 HB2 LYS W 484 -1.600 0.496 7.661 1.00 0.00 H ATOM 530 HB3 LYS W 484 -0.318 -0.444 6.862 1.00 0.00 H ATOM 531 HG2 LYS W 484 1.067 1.782 7.230 1.00 0.00 H ATOM 532 HG3 LYS W 484 -0.129 2.036 8.523 1.00 0.00 H ATOM 533 HD2 LYS W 484 0.845 0.507 9.835 1.00 0.00 H ATOM 534 HD3 LYS W 484 0.869 -0.695 8.524 1.00 0.00 H ATOM 535 HE2 LYS W 484 2.852 1.574 8.593 1.00 0.00 H ATOM 536 HE3 LYS W 484 2.963 0.013 7.747 1.00 0.00 H ATOM 537 HZ1 LYS W 484 3.067 0.406 10.691 1.00 0.00 H ATOM 538 HZ2 LYS W 484 3.172 -1.085 9.882 1.00 0.00 H ATOM 539 HZ3 LYS W 484 4.393 0.080 9.680 1.00 0.00 H ATOM 540 H LYS W 484 -2.820 0.419 4.913 1.00 0.00 H ATOM 541 N THR W 485 0.579 1.395 3.922 1.00 0.00 N ATOM 542 CA THR W 485 1.389 0.897 2.816 1.00 0.00 C ATOM 543 C THR W 485 2.808 0.578 3.279 1.00 0.00 C ATOM 544 O THR W 485 3.196 0.915 4.397 1.00 0.00 O ATOM 545 CB THR W 485 1.456 1.916 1.664 1.00 0.00 C ATOM 546 OG1 THR W 485 2.384 1.469 0.668 1.00 0.00 O ATOM 547 CG2 THR W 485 1.875 3.285 2.176 1.00 0.00 C ATOM 548 HA THR W 485 0.910 -0.014 2.457 1.00 0.00 H ATOM 549 HB THR W 485 0.462 1.999 1.224 1.00 0.00 H ATOM 550 HG1 THR W 485 2.089 0.594 0.313 1.00 0.00 H ATOM 551 HG23 THR W 485 1.166 3.621 2.933 1.00 0.00 H ATOM 552 HG21 THR W 485 2.871 3.219 2.613 1.00 0.00 H ATOM 553 HG22 THR W 485 1.887 3.993 1.348 1.00 0.00 H ATOM 554 H THR W 485 0.626 2.404 4.170 1.00 0.00 H ATOM 555 N GLN W 486 3.580 -0.077 2.414 1.00 0.00 N ATOM 556 CA GLN W 486 4.954 -0.439 2.740 1.00 0.00 C ATOM 557 C GLN W 486 5.768 -0.684 1.474 1.00 0.00 C ATOM 558 O GLN W 486 5.236 -1.134 0.457 1.00 0.00 O ATOM 559 CB GLN W 486 4.968 -1.692 3.611 1.00 0.00 C ATOM 560 CG GLN W 486 4.018 -2.766 3.115 1.00 0.00 C ATOM 561 CD GLN W 486 4.368 -4.142 3.637 1.00 0.00 C ATOM 562 OE1 GLN W 486 4.011 -4.505 4.757 1.00 0.00 O ATOM 563 NE2 GLN W 486 5.068 -4.916 2.820 1.00 0.00 N ATOM 564 HA GLN W 486 5.405 0.390 3.286 1.00 0.00 H ATOM 565 HB2 GLN W 486 5.979 -2.099 3.620 1.00 0.00 H ATOM 566 HB3 GLN W 486 4.681 -1.414 4.625 1.00 0.00 H ATOM 567 HG2 GLN W 486 3.008 -2.516 3.440 1.00 0.00 H ATOM 568 HG3 GLN W 486 4.053 -2.787 2.026 1.00 0.00 H ATOM 569 HE22 GLN W 486 5.347 -4.564 1.882 1.00 0.00 H ATOM 570 HE21 GLN W 486 5.339 -5.875 3.117 1.00 0.00 H ATOM 571 H GLN W 486 3.194 -0.336 1.484 1.00 0.00 H ATOM 572 N TRP W 487 7.061 -0.388 1.545 1.00 0.00 N ATOM 573 CA TRP W 487 7.956 -0.576 0.409 1.00 0.00 C ATOM 574 C TRP W 487 8.232 -2.057 0.170 1.00 0.00 C ATOM 575 O TRP W 487 8.239 -2.522 -0.970 1.00 0.00 O ATOM 576 CB TRP W 487 9.272 0.168 0.644 1.00 0.00 C ATOM 577 CG TRP W 487 9.350 1.481 -0.075 1.00 0.00 C ATOM 578 CD1 TRP W 487 9.572 2.708 0.482 1.00 0.00 C ATOM 579 CD2 TRP W 487 9.207 1.698 -1.484 1.00 0.00 C ATOM 580 NE1 TRP W 487 9.575 3.674 -0.495 1.00 0.00 N ATOM 581 CE2 TRP W 487 9.354 3.079 -1.709 1.00 0.00 C ATOM 582 CE3 TRP W 487 8.970 0.858 -2.576 1.00 0.00 C ATOM 583 CZ2 TRP W 487 9.271 3.639 -2.981 1.00 0.00 C ATOM 584 CZ3 TRP W 487 8.887 1.415 -3.838 1.00 0.00 C ATOM 585 CH2 TRP W 487 9.038 2.794 -4.032 1.00 0.00 C ATOM 586 HA TRP W 487 7.468 -0.170 -0.477 1.00 0.00 H ATOM 587 HB2 TRP W 487 9.379 0.352 1.713 1.00 0.00 H ATOM 588 HB3 TRP W 487 10.092 -0.463 0.301 1.00 0.00 H ATOM 589 HE1 TRP W 487 9.721 4.692 -0.338 1.00 0.00 H ATOM 590 HD1 TRP W 487 9.724 2.894 1.545 1.00 0.00 H ATOM 591 HZ2 TRP W 487 9.387 4.712 -3.134 1.00 0.00 H ATOM 592 HH2 TRP W 487 8.969 3.202 -5.040 1.00 0.00 H ATOM 593 HZ3 TRP W 487 8.701 0.770 -4.697 1.00 0.00 H ATOM 594 HE3 TRP W 487 8.853 -0.216 -2.435 1.00 0.00 H ATOM 595 H TRP W 487 7.446 -0.012 2.435 1.00 0.00 H ATOM 596 N GLU W 488 8.462 -2.794 1.253 1.00 0.00 N ATOM 597 CA GLU W 488 8.744 -4.223 1.162 1.00 0.00 C ATOM 598 C GLU W 488 7.569 -4.975 0.545 1.00 0.00 C ATOM 599 O GLU W 488 6.511 -4.398 0.296 1.00 0.00 O ATOM 600 CB GLU W 488 9.055 -4.792 2.549 1.00 0.00 C ATOM 601 CG GLU W 488 10.528 -4.724 2.917 1.00 0.00 C ATOM 602 CD GLU W 488 10.859 -3.516 3.771 1.00 0.00 C ATOM 603 OE1 GLU W 488 9.924 -2.923 4.351 1.00 0.00 O ATOM 604 OE2 GLU W 488 12.054 -3.162 3.862 1.00 0.00 O ATOM 605 HA GLU W 488 9.613 -4.354 0.518 1.00 0.00 H ATOM 606 HB2 GLU W 488 8.488 -4.227 3.289 1.00 0.00 H ATOM 607 HB3 GLU W 488 8.741 -5.836 2.572 1.00 0.00 H ATOM 608 HG2 GLU W 488 10.792 -5.626 3.469 1.00 0.00 H ATOM 609 HG3 GLU W 488 11.116 -4.676 2.000 1.00 0.00 H ATOM 610 H GLU W 488 8.440 -2.340 2.189 1.00 0.00 H ATOM 611 N ASP W 489 7.765 -6.268 0.302 1.00 0.00 N ATOM 612 CA ASP W 489 6.722 -7.103 -0.284 1.00 0.00 C ATOM 613 C ASP W 489 6.113 -8.028 0.771 1.00 0.00 C ATOM 614 O ASP W 489 6.787 -8.923 1.280 1.00 0.00 O ATOM 615 CB ASP W 489 7.296 -7.933 -1.433 1.00 0.00 C ATOM 616 CG ASP W 489 8.038 -7.085 -2.446 1.00 0.00 C ATOM 617 OD1 ASP W 489 9.022 -6.420 -2.058 1.00 0.00 O ATOM 618 OD2 ASP W 489 7.636 -7.085 -3.629 1.00 0.00 O ATOM 619 HA ASP W 489 5.938 -6.451 -0.669 1.00 0.00 H ATOM 620 HB2 ASP W 489 7.985 -8.670 -1.022 1.00 0.00 H ATOM 621 HB3 ASP W 489 6.477 -8.445 -1.938 1.00 0.00 H ATOM 622 H ASP W 489 8.684 -6.694 0.536 1.00 0.00 H ATOM 623 N PRO W 490 4.829 -7.827 1.119 1.00 0.00 N ATOM 624 CA PRO W 490 4.148 -8.652 2.121 1.00 0.00 C ATOM 625 C PRO W 490 3.774 -10.031 1.589 1.00 0.00 C ATOM 626 O PRO W 490 3.777 -11.014 2.331 1.00 0.00 O ATOM 627 CB PRO W 490 2.892 -7.844 2.444 1.00 0.00 C ATOM 628 CG PRO W 490 2.606 -7.077 1.199 1.00 0.00 C ATOM 629 CD PRO W 490 3.942 -6.781 0.570 1.00 0.00 C ATOM 630 HA PRO W 490 4.782 -8.849 2.985 1.00 0.00 H ATOM 631 HD3 PRO W 490 3.884 -6.851 -0.516 1.00 0.00 H ATOM 632 HD2 PRO W 490 4.292 -5.788 0.851 1.00 0.00 H ATOM 633 HG3 PRO W 490 2.087 -6.149 1.438 1.00 0.00 H ATOM 634 HG2 PRO W 490 1.993 -7.671 0.522 1.00 0.00 H ATOM 635 HB2 PRO W 490 2.061 -8.506 2.688 1.00 0.00 H ATOM 636 HB3 PRO W 490 3.074 -7.168 3.279 1.00 0.00 H ATOM 637 N ARG W 491 3.452 -10.101 0.301 1.00 0.00 N ATOM 638 CA ARG W 491 3.074 -11.364 -0.324 1.00 0.00 C ATOM 639 C ARG W 491 4.289 -12.267 -0.523 1.00 0.00 C ATOM 640 O ARG W 491 4.154 -13.482 -0.658 1.00 0.00 O ATOM 641 CB ARG W 491 2.390 -11.112 -1.668 1.00 0.00 C ATOM 642 CG ARG W 491 3.093 -10.072 -2.525 1.00 0.00 C ATOM 643 CD ARG W 491 2.820 -10.293 -4.004 1.00 0.00 C ATOM 644 NE ARG W 491 3.190 -11.637 -4.434 1.00 0.00 N ATOM 645 CZ ARG W 491 2.907 -12.132 -5.635 1.00 0.00 C ATOM 646 NH1 ARG W 491 2.261 -11.389 -6.524 1.00 0.00 N ATOM 647 NH2 ARG W 491 3.271 -13.367 -5.949 1.00 0.00 N ATOM 648 HA ARG W 491 2.376 -11.869 0.344 1.00 0.00 H ATOM 649 HB2 ARG W 491 2.360 -12.051 -2.221 1.00 0.00 H ATOM 650 HB3 ARG W 491 1.372 -10.771 -1.478 1.00 0.00 H ATOM 651 HG2 ARG W 491 2.737 -9.081 -2.243 1.00 0.00 H ATOM 652 HG3 ARG W 491 4.167 -10.135 -2.349 1.00 0.00 H ATOM 653 HD2 ARG W 491 3.395 -9.568 -4.580 1.00 0.00 H ATOM 654 HD3 ARG W 491 1.757 -10.143 -4.192 1.00 0.00 H ATOM 655 HE ARG W 491 3.704 -12.242 -3.763 1.00 0.00 H ATOM 656 HH12 ARG W 491 2.040 -11.777 -7.463 1.00 0.00 H ATOM 657 HH11 ARG W 491 1.976 -10.419 -6.282 1.00 0.00 H ATOM 658 HH22 ARG W 491 3.048 -13.752 -6.889 1.00 0.00 H ATOM 659 HH21 ARG W 491 3.779 -13.952 -5.255 1.00 0.00 H ATOM 660 H ARG W 491 3.470 -9.235 -0.275 1.00 0.00 H ATOM 661 N MET W 492 5.475 -11.665 -0.543 1.00 0.00 N ATOM 662 CA MET W 492 6.709 -12.419 -0.728 1.00 0.00 C ATOM 663 C MET W 492 7.209 -12.982 0.598 1.00 0.00 C ATOM 664 O MET W 492 7.744 -14.089 0.651 1.00 0.00 O ATOM 665 CB MET W 492 7.783 -11.529 -1.356 1.00 0.00 C ATOM 666 CG MET W 492 8.482 -12.168 -2.544 1.00 0.00 C ATOM 667 SD MET W 492 8.118 -11.329 -4.098 1.00 0.00 S ATOM 668 CE MET W 492 9.704 -11.438 -4.922 1.00 0.00 C ATOM 669 HA MET W 492 6.499 -13.253 -1.398 1.00 0.00 H ATOM 670 HB2 MET W 492 7.313 -10.604 -1.689 1.00 0.00 H ATOM 671 HB3 MET W 492 8.531 -11.302 -0.596 1.00 0.00 H ATOM 672 HG2 MET W 492 8.158 -13.206 -2.623 1.00 0.00 H ATOM 673 HG3 MET W 492 9.558 -12.137 -2.374 1.00 0.00 H ATOM 674 HE1 MET W 492 10.460 -10.933 -4.320 1.00 0.00 H ATOM 675 HE2 MET W 492 9.977 -12.486 -5.046 1.00 0.00 H ATOM 676 HE3 MET W 492 9.638 -10.961 -5.900 1.00 0.00 H ATOM 677 H MET W 492 5.523 -10.633 -0.424 1.00 0.00 H ATOM 678 N GLN W 493 7.032 -12.213 1.667 1.00 0.00 N ATOM 679 CA GLN W 493 7.466 -12.637 2.994 1.00 0.00 C ATOM 680 C GLN W 493 6.511 -13.677 3.570 1.00 0.00 C ATOM 681 O GLN W 493 5.716 -13.379 4.460 1.00 0.00 O ATOM 682 CB GLN W 493 7.555 -11.433 3.933 1.00 0.00 C ATOM 683 CG GLN W 493 8.783 -10.569 3.696 1.00 0.00 C ATOM 684 CD GLN W 493 10.073 -11.276 4.062 1.00 0.00 C ATOM 685 OE1 GLN W 493 10.515 -11.230 5.210 1.00 0.00 O ATOM 686 NE2 GLN W 493 10.684 -11.936 3.085 1.00 0.00 N ATOM 687 HA GLN W 493 8.454 -13.089 2.900 1.00 0.00 H ATOM 688 HB2 GLN W 493 6.667 -10.817 3.790 1.00 0.00 H ATOM 689 HB3 GLN W 493 7.582 -11.797 4.960 1.00 0.00 H ATOM 690 HG2 GLN W 493 8.821 -10.297 2.641 1.00 0.00 H ATOM 691 HG3 GLN W 493 8.696 -9.666 4.300 1.00 0.00 H ATOM 692 HE22 GLN W 493 10.274 -11.948 2.129 1.00 0.00 H ATOM 693 HE21 GLN W 493 11.573 -12.441 3.275 1.00 0.00 H ATOM 694 H GLN W 493 6.573 -11.286 1.555 1.00 0.00 H ATOM 695 N ASN W 494 6.597 -14.900 3.056 1.00 0.00 N ATOM 696 CA ASN W 494 5.740 -15.985 3.519 1.00 0.00 C ATOM 697 C ASN W 494 6.291 -17.338 3.082 1.00 0.00 C ATOM 698 O ASN W 494 6.707 -17.509 1.936 1.00 0.00 O ATOM 699 CB ASN W 494 4.319 -15.802 2.985 1.00 0.00 C ATOM 700 CG ASN W 494 4.294 -15.507 1.497 1.00 0.00 C ATOM 701 OD1 ASN W 494 5.326 -15.217 0.893 1.00 0.00 O ATOM 702 ND2 ASN W 494 3.111 -15.580 0.899 1.00 0.00 N ATOM 703 HA ASN W 494 5.717 -15.958 4.608 1.00 0.00 H ATOM 704 HB2 ASN W 494 3.755 -16.716 3.171 1.00 0.00 H ATOM 705 HB3 ASN W 494 3.850 -14.973 3.515 1.00 0.00 H ATOM 706 HD22 ASN W 494 2.265 -15.829 1.450 1.00 0.00 H ATOM 707 HD21 ASN W 494 3.031 -15.388 -0.120 1.00 0.00 H ATOM 708 H ASN W 494 7.292 -15.087 2.306 1.00 0.00 H ATOM 709 N VAL W 495 6.288 -18.297 4.001 1.00 0.00 N ATOM 710 CA VAL W 495 6.786 -19.635 3.709 1.00 0.00 C ATOM 711 C VAL W 495 6.237 -20.654 4.702 1.00 0.00 C ATOM 712 O VAL W 495 6.908 -21.627 5.046 1.00 0.00 O ATOM 713 CB VAL W 495 8.327 -19.683 3.736 1.00 0.00 C ATOM 714 CG1 VAL W 495 8.852 -19.446 5.144 1.00 0.00 C ATOM 715 CG2 VAL W 495 8.827 -21.012 3.188 1.00 0.00 C ATOM 716 HA VAL W 495 6.442 -19.888 2.706 1.00 0.00 H ATOM 717 HB VAL W 495 8.706 -18.884 3.098 1.00 0.00 H ATOM 718 HG11 VAL W 495 8.525 -18.466 5.492 1.00 0.00 H ATOM 719 HG12 VAL W 495 8.465 -20.218 5.809 1.00 0.00 H ATOM 720 HG13 VAL W 495 9.941 -19.485 5.136 1.00 0.00 H ATOM 721 HG21 VAL W 495 8.435 -21.826 3.798 1.00 0.00 H ATOM 722 HG22 VAL W 495 8.486 -21.131 2.160 1.00 0.00 H ATOM 723 HG23 VAL W 495 9.917 -21.028 3.215 1.00 0.00 H ATOM 724 H VAL W 495 5.922 -18.088 4.952 1.00 0.00 H ATOM 725 N ALA W 496 5.011 -20.422 5.160 1.00 0.00 N ATOM 726 CA ALA W 496 4.370 -21.318 6.114 1.00 0.00 C ATOM 727 C ALA W 496 2.890 -20.983 6.263 1.00 0.00 C ATOM 728 O ALA W 496 2.480 -19.838 6.075 1.00 0.00 O ATOM 729 CB ALA W 496 5.070 -21.241 7.462 1.00 0.00 C ATOM 730 HA ALA W 496 4.451 -22.337 5.735 1.00 0.00 H ATOM 731 HB1 ALA W 496 6.114 -21.532 7.345 1.00 0.00 H ATOM 732 HB2 ALA W 496 5.016 -20.220 7.840 1.00 0.00 H ATOM 733 HB3 ALA W 496 4.580 -21.916 8.164 1.00 0.00 H ATOM 734 H ALA W 496 4.497 -19.581 4.830 1.00 0.00 H ATOM 735 N ILE W 497 2.091 -21.990 6.602 1.00 0.00 N ATOM 736 CA ILE W 497 0.656 -21.800 6.776 1.00 0.00 C ATOM 737 C ILE W 497 0.058 -22.898 7.649 1.00 0.00 C ATOM 738 O ILE W 497 0.768 -23.788 8.116 1.00 0.00 O ATOM 739 CB ILE W 497 -0.076 -21.783 5.420 1.00 0.00 C ATOM 740 CG1 ILE W 497 0.249 -23.051 4.628 1.00 0.00 C ATOM 741 CG2 ILE W 497 0.308 -20.544 4.626 1.00 0.00 C ATOM 742 CD1 ILE W 497 -0.784 -24.148 4.795 1.00 0.00 C ATOM 743 HA ILE W 497 0.521 -20.836 7.266 1.00 0.00 H ATOM 744 HB ILE W 497 -1.150 -21.754 5.603 1.00 0.00 H ATOM 745 HG12 ILE W 497 0.310 -22.792 3.571 1.00 0.00 H ATOM 746 HG13 ILE W 497 1.214 -23.431 4.964 1.00 0.00 H ATOM 747 HD11 ILE W 497 -0.850 -24.427 5.847 1.00 0.00 H ATOM 748 HD12 ILE W 497 -1.754 -23.787 4.452 1.00 0.00 H ATOM 749 HD13 ILE W 497 -0.489 -25.016 4.206 1.00 0.00 H ATOM 750 HG21 ILE W 497 0.033 -19.653 5.190 1.00 0.00 H ATOM 751 HG22 ILE W 497 1.384 -20.546 4.450 1.00 0.00 H ATOM 752 HG23 ILE W 497 -0.218 -20.548 3.671 1.00 0.00 H ATOM 753 H ILE W 497 2.499 -22.936 6.746 1.00 0.00 H ATOM 754 N THR W 498 -1.252 -22.828 7.863 1.00 0.00 N ATOM 755 CA THR W 498 -1.946 -23.818 8.678 1.00 0.00 C ATOM 756 C THR W 498 -3.151 -24.390 7.940 1.00 0.00 C ATOM 757 O THR W 498 -3.965 -23.647 7.391 1.00 0.00 O ATOM 758 CB THR W 498 -2.417 -23.215 10.015 1.00 0.00 C ATOM 759 OG1 THR W 498 -3.420 -24.052 10.604 1.00 0.00 O ATOM 760 CG2 THR W 498 -2.974 -21.815 9.812 1.00 0.00 C ATOM 761 HA THR W 498 -1.233 -24.617 8.879 1.00 0.00 H ATOM 762 HB THR W 498 -1.557 -23.153 10.682 1.00 0.00 H ATOM 763 HG1 THR W 498 -3.716 -23.657 11.462 1.00 0.00 H ATOM 764 HG23 THR W 498 -2.208 -21.182 9.364 1.00 0.00 H ATOM 765 HG21 THR W 498 -3.840 -21.862 9.152 1.00 0.00 H ATOM 766 HG22 THR W 498 -3.272 -21.401 10.775 1.00 0.00 H ATOM 767 H THR W 498 -1.795 -22.049 7.439 1.00 0.00 H ATOM 768 N GLY W 499 -3.259 -25.714 7.929 1.00 0.00 N ATOM 769 CA GLY W 499 -4.367 -26.362 7.254 1.00 0.00 C ATOM 770 C GLY W 499 -4.886 -27.566 8.017 1.00 0.00 C ATOM 771 O GLY W 499 -4.139 -28.101 8.862 1.00 0.00 O ATOM 772 HA3 GLY W 499 -4.034 -26.689 6.269 1.00 0.00 H ATOM 773 HA2 GLY W 499 -5.178 -25.642 7.142 1.00 0.00 H ATOM 774 OXT GLY W 499 -6.042 -27.972 7.769 1.00 0.00 O ATOM 775 H GLY W 499 -2.541 -26.292 8.410 1.00 0.00 H TER 776 GLY W 499 HETATM 777 N GLY A 1 20.649 17.383 -7.300 1.00 0.24 N HETATM 778 CA GLY A 1 21.389 17.060 -6.048 1.00 0.05 C HETATM 779 C GLY A 1 20.583 16.187 -5.106 1.00 0.22 C HETATM 780 O GLY A 1 20.472 16.484 -3.917 1.00 -0.39 O HETATM 781 N GLY A 1 20.018 15.108 -5.639 1.00 -0.26 N HETATM 782 CA GLY A 1 19.219 14.189 -4.838 1.00 0.15 C HETATM 783 C GLY A 1 20.110 13.205 -4.089 1.00 0.21 C HETATM 784 O GLY A 1 20.203 13.245 -2.862 1.00 -0.39 O HETATM 785 N GLY A 1 20.766 12.323 -4.835 1.00 -0.26 N HETATM 786 CA GLY A 1 21.652 11.329 -4.245 1.00 0.16 C HETATM 787 C GLY A 1 20.867 10.287 -3.454 1.00 0.21 C HETATM 788 O GLY A 1 20.737 9.140 -3.882 1.00 -0.39 O HETATM 789 N GLY A 1 20.342 10.693 -2.302 1.00 -0.26 N HETATM 790 CA GLY A 1 19.570 9.794 -1.451 1.00 0.13 C HETATM 791 C GLY A 1 18.407 9.172 -2.225 1.00 0.21 C HETATM 792 O GLY A 1 17.427 9.850 -2.532 1.00 -0.39 O HETATM 793 N GLY A 1 18.496 7.869 -2.553 1.00 -0.25 N HETATM 794 CA GLY A 1 17.447 7.170 -3.292 1.00 0.13 C HETATM 795 C GLY A 1 16.323 6.678 -2.385 1.00 0.20 C HETATM 796 O GLY A 1 15.154 6.691 -2.765 1.00 -0.39 O HETATM 797 N GLY A 1 16.690 6.241 -1.184 1.00 -0.26 N HETATM 798 CA GLY A 1 15.714 5.740 -0.223 1.00 0.13 C HETATM 799 C GLY A 1 15.832 6.472 1.113 1.00 0.21 C HETATM 800 O GLY A 1 16.726 6.185 1.908 1.00 -0.39 O HETATM 801 N GLY A 1 14.926 7.430 1.381 1.00 -0.25 N HETATM 802 CA GLY A 1 14.940 8.197 2.632 1.00 0.13 C HETATM 803 C GLY A 1 14.636 7.327 3.846 1.00 0.20 C HETATM 804 O GLY A 1 15.314 7.414 4.869 1.00 -0.39 O HETATM 805 N GLY A 1 13.615 6.485 3.725 1.00 -0.27 N HETATM 806 CA GLY A 1 13.243 5.610 4.821 1.00 0.12 C HETATM 807 C GLY A 1 11.743 5.547 5.035 1.00 0.20 C HETATM 808 O GLY A 1 11.208 4.509 5.426 1.00 -0.39 O HETATM 809 N GLY A 1 11.063 6.659 4.778 1.00 -0.26 N HETATM 810 CA GLY A 1 9.616 6.725 4.946 1.00 0.16 C HETATM 811 C GLY A 1 8.899 5.902 3.878 1.00 0.21 C HETATM 812 O GLY A 1 9.307 5.887 2.718 1.00 -0.39 O HETATM 813 N GLY A 1 7.814 5.205 4.258 1.00 -0.25 N HETATM 814 CA GLY A 1 7.040 4.379 3.325 1.00 0.13 C HETATM 815 C GLY A 1 6.349 5.216 2.250 1.00 0.21 C HETATM 816 O GLY A 1 6.298 6.442 2.346 1.00 -0.39 O HETATM 817 N GLY A 1 5.808 4.561 1.209 1.00 -0.25 N HETATM 818 CA GLY A 1 5.120 5.254 0.113 1.00 0.13 C HETATM 819 C GLY A 1 4.002 6.165 0.611 1.00 0.21 C HETATM 820 O GLY A 1 3.813 6.331 1.816 1.00 -0.39 O HETATM 821 N GLY A 1 3.244 6.776 -0.317 1.00 -0.25 N HETATM 822 CA GLY A 1 2.141 7.681 0.028 1.00 0.13 C HETATM 823 C GLY A 1 1.021 6.971 0.782 1.00 0.20 C HETATM 824 O GLY A 1 0.482 5.967 0.314 1.00 -0.39 O HETATM 825 N GLY A 1 0.668 7.503 1.949 1.00 -0.26 N HETATM 826 CA GLY A 1 -0.393 6.923 2.764 1.00 0.15 C HETATM 827 C GLY A 1 -1.711 6.907 1.996 1.00 0.21 C HETATM 828 O GLY A 1 -1.942 7.744 1.122 1.00 -0.39 O HETATM 829 N GLY A 1 -2.573 5.951 2.325 1.00 -0.26 N HETATM 830 CA GLY A 1 -3.866 5.828 1.662 1.00 0.14 C HETATM 831 C GLY A 1 -4.727 7.062 1.911 1.00 0.21 C HETATM 832 O GLY A 1 -5.494 7.480 1.043 1.00 -0.39 O HETATM 833 N GLY A 1 -4.594 7.642 3.099 1.00 -0.26 N HETATM 834 CA GLY A 1 -5.361 8.828 3.461 1.00 0.14 C HETATM 835 C GLY A 1 -4.989 10.009 2.570 1.00 0.21 C HETATM 836 O GLY A 1 -5.813 10.887 2.309 1.00 -0.39 O HETATM 837 N GLY A 1 -3.745 10.023 2.104 1.00 -0.26 N HETATM 838 CA GLY A 1 -3.263 11.094 1.240 1.00 0.15 C HETATM 839 C GLY A 1 -3.491 10.758 -0.233 1.00 0.21 C HETATM 840 O GLY A 1 -3.493 11.644 -1.087 1.00 -0.39 O HETATM 841 N GLY A 1 -3.682 9.473 -0.525 1.00 -0.27 N HETATM 842 CA GLY A 1 -3.907 9.028 -1.894 1.00 0.09 C HETATM 843 C GLY A 1 -5.298 9.433 -2.374 1.00 0.06 C HETATM 844 O GLY A 1 -5.398 10.439 -3.107 1.00 -0.57 O HETATM 845 OXT GLY A 1 -6.273 8.742 -2.012 1.00 -0.57 O HETATM 846 CB GLY A 1 -3.747 7.508 -1.989 1.00 -0.02 C HETATM 847 CG GLY A 1 -2.379 7.031 -2.479 1.00 -0.04 C HETATM 848 CD1 GLY A 1 -2.365 5.518 -2.632 1.00 -0.06 C HETATM 849 H114 GLY A 1 -1.375 5.194 -2.985 1.00 0.02 H HETATM 850 H115 GLY A 1 -3.131 5.216 -3.362 1.00 0.02 H HETATM 851 H116 GLY A 1 -2.579 5.049 -1.660 1.00 0.02 H HETATM 852 CD2 GLY A 1 -2.022 7.705 -3.795 1.00 -0.06 C HETATM 853 H117 GLY A 1 -2.038 8.797 -3.664 1.00 0.02 H HETATM 854 H118 GLY A 1 -2.754 7.418 -4.564 1.00 0.02 H HETATM 855 H119 GLY A 1 -1.016 7.388 -4.109 1.00 0.02 H HETATM 856 H113 GLY A 1 -1.624 7.311 -1.729 1.00 0.03 H HETATM 857 H111 GLY A 1 -4.510 7.127 -2.684 1.00 0.03 H HETATM 858 H112 GLY A 1 -3.918 7.084 -0.989 1.00 0.03 H HETATM 859 H110 GLY A 1 -3.158 9.504 -2.544 1.00 0.07 H HETATM 860 H109 GLY A 1 -3.671 8.798 0.212 1.00 0.19 H HETATM 861 CB GLY A 1 -1.778 11.352 1.491 1.00 0.08 C HETATM 862 OG GLY A 1 -1.510 12.740 1.589 1.00 -0.39 O HETATM 863 H108 GLY A 1 -0.582 12.872 1.745 1.00 0.21 H HETATM 864 H106 GLY A 1 -1.195 10.932 0.658 1.00 0.06 H HETATM 865 H107 GLY A 1 -1.482 10.862 2.430 1.00 0.06 H HETATM 866 H105 GLY A 1 -3.823 12.010 1.479 1.00 0.08 H HETATM 867 H104 GLY A 1 -3.123 9.280 2.352 1.00 0.19 H HETATM 868 CB GLY A 1 -5.121 9.186 4.929 1.00 0.04 C HETATM 869 CG GLY A 1 -6.181 8.606 5.845 1.00 0.04 C HETATM 870 OD1 GLY A 1 -6.255 7.364 5.956 1.00 -0.57 O HETATM 871 OD2 GLY A 1 -6.937 9.394 6.451 1.00 -0.57 O HETATM 872 H102 GLY A 1 -5.126 10.281 5.031 1.00 0.05 H HETATM 873 H103 GLY A 1 -4.139 8.794 5.232 1.00 0.05 H HETATM 874 H101 GLY A 1 -6.430 8.608 3.322 1.00 0.08 H HETATM 875 H100 GLY A 1 -3.952 7.256 3.761 1.00 0.19 H HETATM 876 CB GLY A 1 -4.597 4.577 2.152 1.00 0.02 C HETATM 877 CG GLY A 1 -5.903 4.320 1.436 1.00 -0.05 C HETATM 878 CD1 GLY A 1 -5.929 4.047 0.074 1.00 -0.07 C HETATM 879 CE1 GLY A 1 -7.121 3.811 -0.584 1.00 -0.04 C HETATM 880 CZ GLY A 1 -8.307 3.847 0.119 1.00 0.08 C HETATM 881 CE2 GLY A 1 -8.306 4.115 1.471 1.00 -0.04 C HETATM 882 CD2 GLY A 1 -7.111 4.351 2.122 1.00 -0.07 C HETATM 883 H96 GLY A 1 -7.115 4.564 3.185 1.00 0.05 H HETATM 884 H98 GLY A 1 -9.240 4.141 2.021 1.00 0.05 H HETATM 885 OH GLY A 1 -9.496 3.612 -0.532 1.00 -0.34 O HETATM 886 H99 GLY A 1 -9.325 3.445 -1.451 1.00 0.25 H HETATM 887 H97 GLY A 1 -7.124 3.599 -1.647 1.00 0.05 H HETATM 888 H95 GLY A 1 -4.999 4.019 -0.482 1.00 0.05 H HETATM 889 H93 GLY A 1 -4.806 4.694 3.225 1.00 0.05 H HETATM 890 H94 GLY A 1 -3.940 3.708 1.999 1.00 0.05 H HETATM 891 H92 GLY A 1 -3.694 5.734 0.580 1.00 0.08 H HETATM 892 H91 GLY A 1 -2.329 5.300 3.044 1.00 0.19 H HETATM 893 CB GLY A 1 -0.556 7.711 4.065 1.00 0.08 C HETATM 894 CG GLY A 1 -1.328 6.937 5.118 1.00 0.18 C HETATM 895 OD1 GLY A 1 -2.382 7.375 5.577 1.00 -0.40 O HETATM 896 ND2 GLY A 1 -0.803 5.781 5.506 1.00 -0.30 N HETATM 897 H89 GLY A 1 -1.268 5.228 6.197 1.00 0.18 H HETATM 898 H90 GLY A 1 0.057 5.463 5.107 1.00 0.18 H HETATM 899 H87 GLY A 1 -1.095 8.645 3.847 1.00 0.06 H HETATM 900 H88 GLY A 1 0.442 7.948 4.462 1.00 0.06 H HETATM 901 H86 GLY A 1 -0.118 5.887 3.012 1.00 0.08 H HETATM 902 H85 GLY A 1 1.142 8.321 2.275 1.00 0.19 H HETATM 903 CB GLY A 1 1.633 8.176 -1.334 1.00 -0.01 C HETATM 904 CG GLY A 1 2.729 7.871 -2.297 1.00 -0.03 C HETATM 905 CD GLY A 1 3.403 6.639 -1.773 1.00 0.04 C HETATM 906 H83 GLY A 1 2.908 5.729 -2.142 1.00 0.05 H HETATM 907 H84 GLY A 1 4.466 6.618 -2.055 1.00 0.05 H HETATM 908 H81 GLY A 1 3.442 8.707 -2.343 1.00 0.03 H HETATM 909 H82 GLY A 1 2.317 7.685 -3.300 1.00 0.03 H HETATM 910 H79 GLY A 1 1.438 9.258 -1.302 1.00 0.03 H HETATM 911 H80 GLY A 1 0.712 7.646 -1.618 1.00 0.03 H HETATM 912 H78 GLY A 1 2.510 8.520 0.636 1.00 0.08 H HETATM 913 CB GLY A 1 4.547 4.112 -0.730 1.00 -0.01 C HETATM 914 CG GLY A 1 5.409 2.938 -0.420 1.00 -0.03 C HETATM 915 CD GLY A 1 5.824 3.100 1.015 1.00 0.04 C HETATM 916 H76 GLY A 1 5.110 2.605 1.690 1.00 0.05 H HETATM 917 H77 GLY A 1 6.831 2.691 1.183 1.00 0.05 H HETATM 918 H74 GLY A 1 6.293 2.928 -1.075 1.00 0.03 H HETATM 919 H75 GLY A 1 4.844 2.003 -0.552 1.00 0.03 H HETATM 920 H72 GLY A 1 4.598 4.358 -1.801 1.00 0.03 H HETATM 921 H73 GLY A 1 3.503 3.910 -0.450 1.00 0.03 H HETATM 922 H71 GLY A 1 5.835 5.851 -0.472 1.00 0.08 H HETATM 923 CB GLY A 1 6.004 3.694 4.221 1.00 -0.01 C HETATM 924 CG GLY A 1 5.893 4.570 5.420 1.00 -0.03 C HETATM 925 CD GLY A 1 7.256 5.168 5.622 1.00 0.04 C HETATM 926 H69 GLY A 1 7.184 6.180 6.046 1.00 0.05 H HETATM 927 H70 GLY A 1 7.870 4.537 6.282 1.00 0.05 H HETATM 928 H67 GLY A 1 5.601 3.978 6.300 1.00 0.03 H HETATM 929 H68 GLY A 1 5.150 5.362 5.247 1.00 0.03 H HETATM 930 H65 GLY A 1 6.345 2.688 4.507 1.00 0.03 H HETATM 931 H66 GLY A 1 5.035 3.620 3.705 1.00 0.03 H HETATM 932 H64 GLY A 1 7.690 3.635 2.840 1.00 0.08 H HETATM 933 CB GLY A 1 9.108 8.178 4.881 1.00 0.09 C HETATM 934 OG1 GLY A 1 9.281 8.700 3.559 1.00 -0.39 O HETATM 935 H60 GLY A 1 8.790 8.169 2.943 1.00 0.21 H HETATM 936 CG2 GLY A 1 9.851 9.055 5.877 1.00 -0.03 C HETATM 937 H61 GLY A 1 9.472 10.086 5.812 1.00 0.03 H HETATM 938 H62 GLY A 1 10.926 9.045 5.644 1.00 0.03 H HETATM 939 H63 GLY A 1 9.693 8.669 6.895 1.00 0.03 H HETATM 940 H59 GLY A 1 8.037 8.188 5.131 1.00 0.06 H HETATM 941 H58 GLY A 1 9.367 6.311 5.934 1.00 0.08 H HETATM 942 H57 GLY A 1 11.555 7.470 4.462 1.00 0.19 H HETATM 943 H55 GLY A 1 13.715 5.980 5.743 1.00 0.08 H HETATM 944 H56 GLY A 1 13.610 4.596 4.603 1.00 0.08 H HETATM 945 H54 GLY A 1 13.098 6.454 2.870 1.00 0.19 H HETATM 946 CB GLY A 1 13.837 9.241 2.430 1.00 -0.01 C HETATM 947 CG GLY A 1 12.939 8.655 1.397 1.00 -0.03 C HETATM 948 CD GLY A 1 13.824 7.841 0.495 1.00 0.04 C HETATM 949 H52 GLY A 1 13.287 6.965 0.102 1.00 0.05 H HETATM 950 H53 GLY A 1 14.198 8.448 -0.343 1.00 0.05 H HETATM 951 H50 GLY A 1 12.441 9.453 0.826 1.00 0.03 H HETATM 952 H51 GLY A 1 12.180 8.013 1.869 1.00 0.03 H HETATM 953 H48 GLY A 1 14.264 10.192 2.078 1.00 0.03 H HETATM 954 H49 GLY A 1 13.288 9.411 3.368 1.00 0.03 H HETATM 955 H47 GLY A 1 15.916 8.683 2.773 1.00 0.08 H HETATM 956 CB GLY A 1 15.894 4.228 0.021 1.00 -0.00 C HETATM 957 CG1 GLY A 1 16.025 3.486 -1.311 1.00 -0.05 C HETATM 958 CD1 GLY A 1 16.612 2.098 -1.174 1.00 -0.06 C HETATM 959 H44 GLY A 1 16.676 1.627 -2.166 1.00 0.02 H HETATM 960 H45 GLY A 1 15.968 1.490 -0.521 1.00 0.02 H HETATM 961 H46 GLY A 1 17.618 2.167 -0.736 1.00 0.02 H HETATM 962 H39 GLY A 1 16.675 4.075 -1.975 1.00 0.03 H HETATM 963 H40 GLY A 1 15.025 3.398 -1.760 1.00 0.03 H HETATM 964 CG2 GLY A 1 14.731 3.675 0.831 1.00 -0.06 C HETATM 965 H41 GLY A 1 14.655 4.221 1.783 1.00 0.02 H HETATM 966 H42 GLY A 1 14.900 2.607 1.034 1.00 0.02 H HETATM 967 H43 GLY A 1 13.797 3.797 0.262 1.00 0.02 H HETATM 968 H38 GLY A 1 16.820 4.076 0.596 1.00 0.03 H HETATM 969 H37 GLY A 1 14.708 5.913 -0.633 1.00 0.08 H HETATM 970 H36 GLY A 1 17.658 6.256 -0.934 1.00 0.19 H HETATM 971 CB GLY A 1 18.197 5.989 -3.900 1.00 -0.01 C HETATM 972 CG GLY A 1 19.261 5.672 -2.903 1.00 -0.03 C HETATM 973 CD GLY A 1 19.628 6.975 -2.234 1.00 0.04 C HETATM 974 H34 GLY A 1 19.727 6.842 -1.147 1.00 0.05 H HETATM 975 H35 GLY A 1 20.569 7.373 -2.642 1.00 0.05 H HETATM 976 H32 GLY A 1 20.139 5.244 -3.409 1.00 0.03 H HETATM 977 H33 GLY A 1 18.882 4.957 -2.158 1.00 0.03 H HETATM 978 H30 GLY A 1 18.640 6.266 -4.868 1.00 0.03 H HETATM 979 H31 GLY A 1 17.524 5.130 -4.038 1.00 0.03 H HETATM 980 H29 GLY A 1 17.024 7.817 -4.074 1.00 0.08 H HETATM 981 CB GLY A 1 19.036 10.550 -0.233 1.00 -0.01 C HETATM 982 CG GLY A 1 18.053 9.766 0.638 1.00 -0.04 C HETATM 983 CD1 GLY A 1 18.535 9.721 2.080 1.00 -0.06 C HETATM 984 H23 GLY A 1 17.816 9.154 2.689 1.00 0.02 H HETATM 985 H24 GLY A 1 18.619 10.746 2.471 1.00 0.02 H HETATM 986 H25 GLY A 1 19.519 9.231 2.123 1.00 0.02 H HETATM 987 CD2 GLY A 1 16.663 10.378 0.557 1.00 -0.06 C HETATM 988 H26 GLY A 1 16.333 10.401 -0.492 1.00 0.02 H HETATM 989 H27 GLY A 1 16.690 11.403 0.956 1.00 0.02 H HETATM 990 H28 GLY A 1 15.961 9.773 1.149 1.00 0.02 H HETATM 991 H22 GLY A 1 18.000 8.735 0.258 1.00 0.03 H HETATM 992 H20 GLY A 1 18.526 11.456 -0.591 1.00 0.03 H HETATM 993 H21 GLY A 1 19.894 10.835 0.394 1.00 0.03 H HETATM 994 H19 GLY A 1 20.232 8.987 -1.104 1.00 0.08 H HETATM 995 H18 GLY A 1 20.480 11.640 -2.011 1.00 0.19 H HETATM 996 CB GLY A 1 22.695 11.984 -3.320 1.00 0.09 C HETATM 997 OG1 GLY A 1 22.782 13.387 -3.595 1.00 -0.39 O HETATM 998 H14 GLY A 1 21.935 13.791 -3.447 1.00 0.21 H HETATM 999 CG2 GLY A 1 24.060 11.342 -3.506 1.00 -0.03 C HETATM 1000 H15 GLY A 1 24.787 11.825 -2.837 1.00 0.03 H HETATM 1001 H16 GLY A 1 24.384 11.466 -4.550 1.00 0.03 H HETATM 1002 H17 GLY A 1 23.997 10.270 -3.266 1.00 0.03 H HETATM 1003 H13 GLY A 1 22.378 11.844 -2.276 1.00 0.06 H HETATM 1004 H12 GLY A 1 22.183 10.819 -5.062 1.00 0.08 H HETATM 1005 H11 GLY A 1 20.648 12.342 -5.828 1.00 0.19 H HETATM 1006 CB GLY A 1 18.236 13.427 -5.730 1.00 0.08 C HETATM 1007 OG GLY A 1 17.094 13.017 -4.997 1.00 -0.39 O HETATM 1008 H10 GLY A 1 16.502 12.548 -5.572 1.00 0.21 H HETATM 1009 H8 GLY A 1 18.738 12.538 -6.140 1.00 0.06 H HETATM 1010 H9 GLY A 1 17.918 14.082 -6.555 1.00 0.06 H HETATM 1011 H7 GLY A 1 18.647 14.774 -4.102 1.00 0.08 H HETATM 1012 H6 GLY A 1 20.144 14.922 -6.614 1.00 0.19 H HETATM 1013 H4 GLY A 1 21.637 18.000 -5.533 1.00 0.11 H HETATM 1014 H5 GLY A 1 22.316 16.531 -6.313 1.00 0.11 H HETATM 1015 H1 GLY A 1 21.225 17.963 -7.890 1.00 0.20 H HETATM 1016 H2 GLY A 1 19.800 17.875 -7.071 1.00 0.20 H HETATM 1017 H3 GLY A 1 20.422 16.529 -7.786 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 777 778 1015 1016 1017 CONECT 778 777 779 1013 1014 CONECT 779 778 780 781 CONECT 780 779 CONECT 781 779 782 1012 CONECT 782 781 783 1006 1011 CONECT 783 782 784 785 CONECT 784 783 CONECT 785 783 786 1005 CONECT 786 785 787 996 1004 CONECT 787 786 788 789 CONECT 788 787 CONECT 789 787 790 995 CONECT 790 789 791 981 994 CONECT 791 790 792 793 CONECT 792 791 CONECT 793 791 794 973 CONECT 794 793 795 971 980 CONECT 795 794 796 797 CONECT 796 795 CONECT 797 795 798 970 CONECT 798 797 799 956 969 CONECT 799 798 800 801 CONECT 800 799 CONECT 801 799 802 948 CONECT 802 801 803 946 955 CONECT 803 802 804 805 CONECT 804 803 CONECT 805 803 806 945 CONECT 806 805 807 943 944 CONECT 807 806 808 809 CONECT 808 807 CONECT 809 807 810 942 CONECT 810 809 811 933 941 CONECT 811 810 812 813 CONECT 812 811 CONECT 813 811 814 925 CONECT 814 813 815 923 932 CONECT 815 814 816 817 CONECT 816 815 CONECT 817 815 818 915 CONECT 818 817 819 913 922 CONECT 819 818 820 821 CONECT 820 819 CONECT 821 819 822 905 CONECT 822 821 823 903 912 CONECT 823 822 824 825 CONECT 824 823 CONECT 825 823 826 902 CONECT 826 825 827 893 901 CONECT 827 826 828 829 CONECT 828 827 CONECT 829 827 830 892 CONECT 830 829 831 876 891 CONECT 831 830 832 833 CONECT 832 831 CONECT 833 831 834 875 CONECT 834 833 835 868 874 CONECT 835 834 836 837 CONECT 836 835 CONECT 837 835 838 867 CONECT 838 837 839 861 866 CONECT 839 838 840 841 CONECT 840 839 CONECT 841 839 842 860 CONECT 842 841 843 846 859 CONECT 843 842 844 845 CONECT 844 843 CONECT 845 843 CONECT 846 842 847 857 858 CONECT 847 846 848 852 856 CONECT 848 847 849 850 851 CONECT 849 848 CONECT 850 848 CONECT 851 848 CONECT 852 847 853 854 855 CONECT 853 852 CONECT 854 852 CONECT 855 852 CONECT 856 847 CONECT 857 846 CONECT 858 846 CONECT 859 842 CONECT 860 841 CONECT 861 838 862 864 865 CONECT 862 861 863 CONECT 863 862 CONECT 864 861 CONECT 865 861 CONECT 866 838 CONECT 867 837 CONECT 868 834 869 872 873 CONECT 869 868 870 871 CONECT 870 869 CONECT 871 869 CONECT 872 868 CONECT 873 868 CONECT 874 834 CONECT 875 833 CONECT 876 830 877 889 890 CONECT 877 876 878 882 CONECT 878 877 879 888 CONECT 879 878 880 887 CONECT 880 879 881 885 CONECT 881 880 882 884 CONECT 882 877 881 883 CONECT 883 882 CONECT 884 881 CONECT 885 880 886 CONECT 886 885 CONECT 887 879 CONECT 888 878 CONECT 889 876 CONECT 890 876 CONECT 891 830 CONECT 892 829 CONECT 893 826 894 899 900 CONECT 894 893 895 896 CONECT 895 894 CONECT 896 894 897 898 CONECT 897 896 CONECT 898 896 CONECT 899 893 CONECT 900 893 CONECT 901 826 CONECT 902 825 CONECT 903 822 904 910 911 CONECT 904 903 905 908 909 CONECT 905 821 904 906 907 CONECT 906 905 CONECT 907 905 CONECT 908 904 CONECT 909 904 CONECT 910 903 CONECT 911 903 CONECT 912 822 CONECT 913 818 914 920 921 CONECT 914 913 915 918 919 CONECT 915 817 914 916 917 CONECT 916 915 CONECT 917 915 CONECT 918 914 CONECT 919 914 CONECT 920 913 CONECT 921 913 CONECT 922 818 CONECT 923 814 924 930 931 CONECT 924 923 925 928 929 CONECT 925 813 924 926 927 CONECT 926 925 CONECT 927 925 CONECT 928 924 CONECT 929 924 CONECT 930 923 CONECT 931 923 CONECT 932 814 CONECT 933 810 934 936 940 CONECT 934 933 935 CONECT 935 934 CONECT 936 933 937 938 939 CONECT 937 936 CONECT 938 936 CONECT 939 936 CONECT 940 933 CONECT 941 810 CONECT 942 809 CONECT 943 806 CONECT 944 806 CONECT 945 805 CONECT 946 802 947 953 954 CONECT 947 946 948 951 952 CONECT 948 801 947 949 950 CONECT 949 948 CONECT 950 948 CONECT 951 947 CONECT 952 947 CONECT 953 946 CONECT 954 946 CONECT 955 802 CONECT 956 798 957 964 968 CONECT 957 956 958 962 963 CONECT 958 957 959 960 961 CONECT 959 958 CONECT 960 958 CONECT 961 958 CONECT 962 957 CONECT 963 957 CONECT 964 956 965 966 967 CONECT 965 964 CONECT 966 964 CONECT 967 964 CONECT 968 956 CONECT 969 798 CONECT 970 797 CONECT 971 794 972 978 979 CONECT 972 971 973 976 977 CONECT 973 793 972 974 975 CONECT 974 973 CONECT 975 973 CONECT 976 972 CONECT 977 972 CONECT 978 971 CONECT 979 971 CONECT 980 794 CONECT 981 790 982 992 993 CONECT 982 981 983 987 991 CONECT 983 982 984 985 986 CONECT 984 983 CONECT 985 983 CONECT 986 983 CONECT 987 982 988 989 990 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 982 CONECT 992 981 CONECT 993 981 CONECT 994 790 CONECT 995 789 CONECT 996 786 997 999 1003 CONECT 997 996 998 CONECT 998 997 CONECT 999 996 1000 1001 1002 CONECT 1000 999 CONECT 1001 999 CONECT 1002 999 CONECT 1003 996 CONECT 1004 786 CONECT 1005 785 CONECT 1006 782 1007 1009 1010 CONECT 1007 1006 1008 CONECT 1008 1007 CONECT 1009 1006 CONECT 1010 1006 CONECT 1011 782 CONECT 1012 781 CONECT 1013 778 CONECT 1014 778 CONECT 1015 777 CONECT 1016 777 CONECT 1017 777 MASTER 0 0 0 0 0 0 0 0 1016 1 245 4 END
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Entry Information
PDB ID
1i5h
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ubiquitin ligase Nedd4( WW鈪 domain)
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=53uM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
(2001) Nat.Struct.Biol. Vol. 8: pp. 407-412
Ligand Properties
Formula
C
7
8
H
1
2
1
N
1
8
O
2
6
Molecular Weight
1726.900
Exact Mass
1725.870
No. of atoms
243
No. of bonds
248
Polar Surface Area
668.13
LOGP Value
-4.53 (
Computed with XLOGP3
)
-3.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 26
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 44
No. of Rings: 6
Canonical SMILES
[NH3+]CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=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)CC(C)C)CO)CC(=O)O)Cc1ccc(cc1)O)CC(=O)N)[C@H](O)C)[C@H](CC)C)CC(C)C)[C@H](O)C)CO
InChI String
InChI=1S/C78H120N18O26/c1-9-40(6)61(90-71(114)54-17-11-24-92(54)73(116)48(29-38(2)3)86-72(115)62(41(7)99)91-68(111)50(36-97)82-58(103)34-79)76(119)94-26-10-15-52(94)69(112)81-35-59(104)89-63(42(8)100)77(120)96-28-14-19-56(96)75(118)95-27-13-18-55(95)74(117)93-25-12-16-53(93)70(113)85-46(32-57(80)102)65(108)83-45(31-43-20-22-44(101)23-21-43)64(107)84-47(33-60(105)106)66(109)88-51(37-98)67(110)87-49(78(121)122)30-39(4)5/h20-23,38-42,45-56,61-63,97-101H,9-19,24-37,79H2,1-8H3,(H2,80,102)(H,81,112)(H,82,103)(H,83,108)(H,84,107)(H,85,113)(H,86,115)(H,87,110)(H,88,109)(H,89,104)(H,90,114)(H,91,111)(H,105,106)(H,121,122)/p+1/t40-,41+,42+,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P37090
Q62940
Entrez Gene ID
NCBI Entrez Gene ID:
24767
25489
ASD
Information of known allosteric effects of PDB entries
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