Browse entries in the PDBbind-CN Database
HEADER 3DNJ_COMPLEX COMPND 3DNJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 81 SER LEU TYR ARG VAL LEU ILE LEU ASN ASP ASP TYR THR SEQRES 2 B 81 PRO MET GLU PHE VAL VAL TYR VAL LEU GLU ARG PHE PHE SEQRES 3 B 81 ASN LYS SER ARG GLU ASP ALA THR ARG ILE MET LEU HIS SEQRES 4 B 81 VAL HIS GLN ASN GLY VAL GLY VAL CYS GLY VAL TYR THR SEQRES 5 B 81 TYR GLU VAL ALA GLU THR LYS VAL ALA GLN VAL ILE ASP SEQRES 6 B 81 SER ALA ARG ARG HIS GLN HIS PRO LEU GLN CYS THR MET SEQRES 7 B 81 GLU LYS ASP HET TYR A 226 53 ATOM 1 N SER B 39 -10.625 -20.707 17.085 1.00 21.62 N ATOM 2 CA SER B 39 -9.480 -20.077 17.740 1.00 20.79 C ATOM 3 C SER B 39 -8.358 -19.820 16.749 1.00 19.65 C ATOM 4 O SER B 39 -7.816 -20.761 16.207 1.00 24.87 O ATOM 5 CB SER B 39 -8.936 -20.994 18.836 1.00 22.30 C ATOM 6 OG SER B 39 -9.872 -21.168 19.875 1.00 25.82 O ATOM 7 HA SER B 39 -9.822 -19.131 18.161 1.00 0.00 H ATOM 8 HB2 SER B 39 -8.027 -20.555 19.247 1.00 0.00 H ATOM 9 HB3 SER B 39 -8.703 -21.966 18.402 1.00 0.00 H ATOM 10 HG SER B 39 -9.489 -21.765 20.566 1.00 0.00 H ATOM 11 HN3 SER B 39 -10.330 -21.615 16.672 1.00 0.00 H ATOM 12 HN2 SER B 39 -10.980 -20.082 16.334 1.00 0.00 H ATOM 13 HN1 SER B 39 -11.376 -20.871 17.785 1.00 0.00 H ATOM 14 N LEU B 40 -7.985 -18.567 16.529 1.00 13.47 N ATOM 15 CA LEU B 40 -6.987 -18.265 15.519 1.00 11.02 C ATOM 16 C LEU B 40 -5.653 -17.965 16.194 1.00 8.86 C ATOM 17 O LEU B 40 -5.594 -17.701 17.402 1.00 10.29 O ATOM 18 CB LEU B 40 -7.461 -17.106 14.670 1.00 12.05 C ATOM 19 CG LEU B 40 -8.797 -17.386 13.960 1.00 14.23 C ATOM 20 CD1 LEU B 40 -9.186 -16.188 13.138 1.00 15.99 C ATOM 21 CD2 LEU B 40 -8.707 -18.604 13.087 1.00 16.34 C ATOM 22 HA LEU B 40 -6.844 -19.123 14.863 1.00 0.00 H ATOM 23 HB2 LEU B 40 -7.585 -16.233 15.311 1.00 0.00 H ATOM 24 HB3 LEU B 40 -6.704 -16.896 13.915 1.00 0.00 H ATOM 25 HG LEU B 40 -9.558 -17.576 14.717 1.00 0.00 H ATOM 26 HD21 LEU B 40 -7.937 -18.451 12.330 1.00 0.00 H ATOM 27 HD22 LEU B 40 -8.451 -19.469 13.698 1.00 0.00 H ATOM 28 HD23 LEU B 40 -9.668 -18.773 12.601 1.00 0.00 H ATOM 29 HD11 LEU B 40 -9.294 -15.321 13.790 1.00 0.00 H ATOM 30 HD12 LEU B 40 -8.412 -15.992 12.396 1.00 0.00 H ATOM 31 HD13 LEU B 40 -10.132 -16.386 12.635 1.00 0.00 H ATOM 32 H LEU B 40 -8.410 -17.796 17.083 1.00 0.00 H ATOM 33 N TYR B 41 -4.593 -17.978 15.389 1.00 8.64 N ATOM 34 CA TYR B 41 -3.224 -17.887 15.875 1.00 7.71 C ATOM 35 C TYR B 41 -2.457 -16.864 15.067 1.00 7.65 C ATOM 36 O TYR B 41 -2.519 -16.848 13.844 1.00 8.38 O ATOM 37 CB TYR B 41 -2.552 -19.252 15.789 1.00 9.06 C ATOM 38 CG TYR B 41 -3.192 -20.206 16.753 1.00 11.41 C ATOM 39 CD1 TYR B 41 -4.427 -20.783 16.472 1.00 13.07 C ATOM 40 CD2 TYR B 41 -2.600 -20.490 17.974 1.00 13.04 C ATOM 41 CE1 TYR B 41 -5.041 -21.629 17.368 1.00 16.21 C ATOM 42 CE2 TYR B 41 -3.209 -21.349 18.880 1.00 16.56 C ATOM 43 CZ TYR B 41 -4.429 -21.909 18.568 1.00 18.60 C ATOM 44 OH TYR B 41 -5.037 -22.765 19.451 1.00 21.51 O ATOM 45 HA TYR B 41 -3.233 -17.569 16.918 1.00 0.00 H ATOM 46 HB3 TYR B 41 -1.495 -19.149 16.032 1.00 0.00 H ATOM 47 HB2 TYR B 41 -2.654 -19.641 14.776 1.00 0.00 H ATOM 48 HD2 TYR B 41 -1.643 -20.033 18.227 1.00 0.00 H ATOM 49 HE2 TYR B 41 -2.726 -21.578 19.830 1.00 0.00 H ATOM 50 HE1 TYR B 41 -6.006 -22.074 17.128 1.00 0.00 H ATOM 51 HD1 TYR B 41 -4.918 -20.561 15.524 1.00 0.00 H ATOM 52 HH TYR B 41 -5.201 -22.294 20.306 1.00 0.00 H ATOM 53 H TYR B 41 -4.750 -18.057 14.364 1.00 0.00 H ATOM 54 N ARG B 42 -1.760 -15.983 15.774 1.00 7.19 N ATOM 55 CA ARG B 42 -0.911 -15.000 15.129 1.00 7.62 C ATOM 56 C ARG B 42 0.482 -15.581 14.939 1.00 7.03 C ATOM 57 O ARG B 42 1.015 -16.269 15.812 1.00 8.83 O ATOM 58 CB ARG B 42 -0.854 -13.693 15.930 1.00 8.90 C ATOM 59 CG ARG B 42 -0.326 -13.777 17.337 1.00 9.20 C ATOM 60 CD ARG B 42 -0.280 -12.407 17.994 1.00 11.17 C ATOM 61 NE ARG B 42 -1.622 -11.889 18.243 1.00 10.85 N ATOM 62 CZ ARG B 42 -1.904 -10.800 18.950 1.00 10.36 C ATOM 63 NH1 ARG B 42 -0.934 -10.071 19.476 1.00 11.75 N ATOM 64 NH2 ARG B 42 -3.163 -10.434 19.124 1.00 12.15 N ATOM 65 HA ARG B 42 -1.336 -14.760 14.155 1.00 0.00 H ATOM 66 HB2 ARG B 42 -0.219 -12.998 15.381 1.00 0.00 H ATOM 67 HB3 ARG B 42 -1.867 -13.294 15.982 1.00 0.00 H ATOM 68 HG2 ARG B 42 -0.975 -14.429 17.921 1.00 0.00 H ATOM 69 HG3 ARG B 42 0.681 -14.194 17.314 1.00 0.00 H ATOM 70 HD2 ARG B 42 0.251 -11.717 17.338 1.00 0.00 H ATOM 71 HD3 ARG B 42 0.251 -12.486 18.942 1.00 0.00 H ATOM 72 HE ARG B 42 -2.421 -12.414 17.834 1.00 0.00 H ATOM 73 HH12 ARG B 42 -1.164 -9.220 20.028 1.00 0.00 H ATOM 74 HH11 ARG B 42 0.059 -10.349 19.338 1.00 0.00 H ATOM 75 HH22 ARG B 42 -3.385 -9.582 19.677 1.00 0.00 H ATOM 76 HH21 ARG B 42 -3.931 -10.998 18.708 1.00 0.00 H ATOM 77 H ARG B 42 -1.824 -15.998 16.812 1.00 0.00 H ATOM 78 N VAL B 43 1.048 -15.313 13.767 1.00 6.90 N ATOM 79 CA VAL B 43 2.415 -15.694 13.452 1.00 6.86 C ATOM 80 C VAL B 43 3.295 -14.482 13.711 1.00 7.42 C ATOM 81 O VAL B 43 2.970 -13.376 13.288 1.00 8.65 O ATOM 82 CB VAL B 43 2.526 -16.176 12.000 1.00 6.78 C ATOM 83 CG1 VAL B 43 3.978 -16.461 11.621 1.00 7.71 C ATOM 84 CG2 VAL B 43 1.656 -17.391 11.796 1.00 8.45 C ATOM 85 HA VAL B 43 2.738 -16.527 14.077 1.00 0.00 H ATOM 86 HB VAL B 43 2.173 -15.383 11.341 1.00 0.00 H ATOM 87 HG11 VAL B 43 4.566 -15.550 11.731 1.00 0.00 H ATOM 88 HG12 VAL B 43 4.378 -17.235 12.276 1.00 0.00 H ATOM 89 HG13 VAL B 43 4.022 -16.801 10.586 1.00 0.00 H ATOM 90 HG21 VAL B 43 1.982 -18.186 12.466 1.00 0.00 H ATOM 91 HG22 VAL B 43 0.619 -17.134 12.013 1.00 0.00 H ATOM 92 HG23 VAL B 43 1.740 -17.727 10.763 1.00 0.00 H ATOM 93 H VAL B 43 0.491 -14.811 13.047 1.00 0.00 H ATOM 94 N LEU B 44 4.377 -14.713 14.442 1.00 7.47 N ATOM 95 CA LEU B 44 5.297 -13.683 14.884 1.00 7.27 C ATOM 96 C LEU B 44 6.683 -13.921 14.293 1.00 7.36 C ATOM 97 O LEU B 44 7.137 -15.057 14.216 1.00 8.48 O ATOM 98 CB LEU B 44 5.428 -13.714 16.406 1.00 8.45 C ATOM 99 CG LEU B 44 4.116 -13.610 17.187 1.00 9.63 C ATOM 100 CD1 LEU B 44 4.393 -13.724 18.674 1.00 12.12 C ATOM 101 CD2 LEU B 44 3.389 -12.329 16.893 1.00 10.90 C ATOM 102 HA LEU B 44 4.906 -12.720 14.554 1.00 0.00 H ATOM 103 HB2 LEU B 44 5.909 -14.652 16.682 1.00 0.00 H ATOM 104 HB3 LEU B 44 6.063 -12.880 16.705 1.00 0.00 H ATOM 105 HG LEU B 44 3.473 -14.431 16.870 1.00 0.00 H ATOM 106 HD21 LEU B 44 4.019 -11.484 17.169 1.00 0.00 H ATOM 107 HD22 LEU B 44 3.158 -12.280 15.829 1.00 0.00 H ATOM 108 HD23 LEU B 44 2.464 -12.297 17.469 1.00 0.00 H ATOM 109 HD11 LEU B 44 4.862 -14.686 18.882 1.00 0.00 H ATOM 110 HD12 LEU B 44 5.061 -12.919 18.981 1.00 0.00 H ATOM 111 HD13 LEU B 44 3.455 -13.649 19.224 1.00 0.00 H ATOM 112 H LEU B 44 4.579 -15.696 14.716 1.00 0.00 H ATOM 113 N ILE B 45 7.378 -12.842 13.960 1.00 7.49 N ATOM 114 CA ILE B 45 8.807 -12.911 13.715 1.00 8.35 C ATOM 115 C ILE B 45 9.531 -12.103 14.778 1.00 7.68 C ATOM 116 O ILE B 45 9.003 -11.128 15.334 1.00 8.75 O ATOM 117 CB ILE B 45 9.228 -12.455 12.301 1.00 9.24 C ATOM 118 CG1 ILE B 45 8.637 -11.098 11.991 1.00 10.73 C ATOM 119 CG2 ILE B 45 8.882 -13.533 11.281 1.00 10.83 C ATOM 120 CD1 ILE B 45 9.213 -10.485 10.718 1.00 11.87 C ATOM 121 HA ILE B 45 9.090 -13.962 13.772 1.00 0.00 H ATOM 122 HB ILE B 45 10.309 -12.327 12.251 1.00 0.00 H ATOM 123 HG12 ILE B 45 7.559 -11.205 11.870 1.00 0.00 H ATOM 124 HG13 ILE B 45 8.843 -10.428 12.826 1.00 0.00 H ATOM 125 HD11 ILE B 45 10.291 -10.364 10.830 1.00 0.00 H ATOM 126 HD12 ILE B 45 9.005 -11.142 9.874 1.00 0.00 H ATOM 127 HD13 ILE B 45 8.753 -9.512 10.544 1.00 0.00 H ATOM 128 HG21 ILE B 45 9.409 -14.453 11.534 1.00 0.00 H ATOM 129 HG22 ILE B 45 7.807 -13.713 11.295 1.00 0.00 H ATOM 130 HG23 ILE B 45 9.183 -13.201 10.287 1.00 0.00 H ATOM 131 H ILE B 45 6.889 -11.928 13.873 1.00 0.00 H ATOM 132 N LEU B 46 10.744 -12.541 15.070 1.00 8.11 N ATOM 133 CA LEU B 46 11.577 -11.946 16.092 1.00 8.25 C ATOM 134 C LEU B 46 12.717 -11.216 15.444 1.00 6.85 C ATOM 135 O LEU B 46 13.235 -11.633 14.411 1.00 7.96 O ATOM 136 CB LEU B 46 12.169 -13.023 17.002 1.00 9.96 C ATOM 137 CG LEU B 46 11.306 -13.729 18.045 1.00 14.45 C ATOM 138 CD1 LEU B 46 10.808 -12.715 19.063 1.00 15.16 C ATOM 139 CD2 LEU B 46 10.148 -14.519 17.453 1.00 17.35 C ATOM 140 HA LEU B 46 10.960 -11.266 16.679 1.00 0.00 H ATOM 141 HB2 LEU B 46 12.564 -13.800 16.348 1.00 0.00 H ATOM 142 HB3 LEU B 46 12.991 -12.555 17.544 1.00 0.00 H ATOM 143 HG LEU B 46 11.940 -14.469 18.533 1.00 0.00 H ATOM 144 HD21 LEU B 46 9.497 -13.845 16.897 1.00 0.00 H ATOM 145 HD22 LEU B 46 10.538 -15.285 16.783 1.00 0.00 H ATOM 146 HD23 LEU B 46 9.583 -14.991 18.257 1.00 0.00 H ATOM 147 HD11 LEU B 46 11.661 -12.246 19.554 1.00 0.00 H ATOM 148 HD12 LEU B 46 10.215 -11.954 18.556 1.00 0.00 H ATOM 149 HD13 LEU B 46 10.192 -13.221 19.807 1.00 0.00 H ATOM 150 H LEU B 46 11.118 -13.353 14.539 1.00 0.00 H ATOM 151 N ASN B 47 13.118 -10.113 16.055 1.00 7.65 N ATOM 152 CA ASN B 47 14.285 -9.413 15.608 1.00 8.18 C ATOM 153 C ASN B 47 15.546 -10.214 15.875 1.00 8.45 C ATOM 154 O ASN B 47 15.620 -10.981 16.816 1.00 10.12 O ATOM 155 CB ASN B 47 14.418 -8.064 16.317 1.00 8.80 C ATOM 156 CG ASN B 47 15.468 -7.212 15.679 1.00 10.24 C ATOM 157 OD1 ASN B 47 15.496 -7.085 14.460 1.00 10.49 O ATOM 158 ND2 ASN B 47 16.345 -6.646 16.479 1.00 15.61 N ATOM 159 HA ASN B 47 14.169 -9.261 14.535 1.00 0.00 H ATOM 160 HB2 ASN B 47 13.462 -7.543 16.270 1.00 0.00 H ATOM 161 HB3 ASN B 47 14.686 -8.236 17.359 1.00 0.00 H ATOM 162 HD22 ASN B 47 16.277 -6.786 17.507 1.00 0.00 H ATOM 163 HD21 ASN B 47 17.107 -6.059 16.083 1.00 0.00 H ATOM 164 H ASN B 47 12.580 -9.751 16.868 1.00 0.00 H ATOM 165 N ASP B 48 16.552 -10.025 15.038 1.00 8.67 N ATOM 166 CA ASP B 48 17.891 -10.506 15.330 1.00 10.54 C ATOM 167 C ASP B 48 18.877 -9.556 14.655 1.00 11.40 C ATOM 168 O ASP B 48 18.476 -8.664 13.896 1.00 11.90 O ATOM 169 CB ASP B 48 18.065 -11.969 14.896 1.00 10.84 C ATOM 170 CG ASP B 48 18.024 -12.145 13.404 1.00 11.31 C ATOM 171 OD1 ASP B 48 18.901 -11.581 12.750 1.00 15.85 O ATOM 172 OD2 ASP B 48 17.156 -12.846 12.874 1.00 10.64 O ATOM 173 HA ASP B 48 18.080 -10.507 16.404 1.00 0.00 H ATOM 174 HB2 ASP B 48 19.026 -12.329 15.263 1.00 0.00 H ATOM 175 HB3 ASP B 48 17.264 -12.561 15.339 1.00 0.00 H ATOM 176 H ASP B 48 16.380 -9.518 14.146 1.00 0.00 H ATOM 177 N ASP B 49 20.161 -9.725 14.955 1.00 12.29 N ATOM 178 CA ASP B 49 21.204 -8.850 14.425 1.00 14.51 C ATOM 179 C ASP B 49 22.013 -9.559 13.350 1.00 15.31 C ATOM 180 O ASP B 49 23.231 -9.409 13.291 1.00 18.20 O ATOM 181 CB ASP B 49 22.174 -8.409 15.535 1.00 16.97 C ATOM 182 CG ASP B 49 21.464 -7.952 16.796 1.00 19.68 C ATOM 183 OD1 ASP B 49 20.451 -7.229 16.692 1.00 21.44 O ATOM 184 OD2 ASP B 49 21.935 -8.309 17.899 1.00 21.83 O ATOM 185 HA ASP B 49 20.702 -7.979 14.003 1.00 0.00 H ATOM 186 HB2 ASP B 49 22.821 -9.250 15.786 1.00 0.00 H ATOM 187 HB3 ASP B 49 22.780 -7.585 15.159 1.00 0.00 H ATOM 188 H ASP B 49 20.432 -10.505 15.587 1.00 0.00 H ATOM 189 N TYR B 50 21.343 -10.330 12.508 1.00 12.25 N ATOM 190 CA TYR B 50 22.009 -11.103 11.470 1.00 11.79 C ATOM 191 C TYR B 50 21.220 -11.155 10.152 1.00 10.77 C ATOM 192 O TYR B 50 21.803 -11.155 9.064 1.00 10.12 O ATOM 193 CB TYR B 50 22.228 -12.545 11.939 1.00 12.62 C ATOM 194 CG TYR B 50 23.018 -12.711 13.221 1.00 11.22 C ATOM 195 CD1 TYR B 50 24.365 -12.393 13.272 1.00 12.12 C ATOM 196 CD2 TYR B 50 22.420 -13.220 14.372 1.00 12.74 C ATOM 197 CE1 TYR B 50 25.094 -12.556 14.433 1.00 11.92 C ATOM 198 CE2 TYR B 50 23.142 -13.388 15.538 1.00 12.65 C ATOM 199 CZ TYR B 50 24.485 -13.064 15.556 1.00 10.93 C ATOM 200 OH TYR B 50 25.207 -13.240 16.708 1.00 14.00 O ATOM 201 HA TYR B 50 22.956 -10.595 11.285 1.00 0.00 H ATOM 202 HB3 TYR B 50 22.758 -13.077 11.149 1.00 0.00 H ATOM 203 HB2 TYR B 50 21.249 -13.000 12.088 1.00 0.00 H ATOM 204 HD2 TYR B 50 21.364 -13.490 14.352 1.00 0.00 H ATOM 205 HE2 TYR B 50 22.657 -13.772 16.435 1.00 0.00 H ATOM 206 HE1 TYR B 50 26.149 -12.283 14.459 1.00 0.00 H ATOM 207 HD1 TYR B 50 24.858 -12.007 12.380 1.00 0.00 H ATOM 208 HH TYR B 50 26.145 -12.963 16.554 1.00 0.00 H ATOM 209 H TYR B 50 20.308 -10.385 12.591 1.00 0.00 H ATOM 210 N THR B 51 19.898 -11.244 10.247 1.00 10.71 N ATOM 211 CA THR B 51 19.068 -11.363 9.067 1.00 10.07 C ATOM 212 C THR B 51 18.923 -9.987 8.409 1.00 10.72 C ATOM 213 O THR B 51 18.586 -9.011 9.066 1.00 11.85 O ATOM 214 CB THR B 51 17.682 -11.925 9.421 1.00 9.72 C ATOM 215 OG1 THR B 51 17.821 -13.220 10.018 1.00 10.21 O ATOM 216 CG2 THR B 51 16.820 -12.043 8.179 1.00 9.87 C ATOM 217 HA THR B 51 19.545 -12.055 8.373 1.00 0.00 H ATOM 218 HB THR B 51 17.204 -11.241 10.123 1.00 0.00 H ATOM 219 HG1 THR B 51 18.365 -13.146 10.842 1.00 0.00 H ATOM 220 HG23 THR B 51 16.710 -11.061 7.720 1.00 0.00 H ATOM 221 HG21 THR B 51 17.294 -12.725 7.473 1.00 0.00 H ATOM 222 HG22 THR B 51 15.838 -12.428 8.455 1.00 0.00 H ATOM 223 H THR B 51 19.451 -11.228 11.186 1.00 0.00 H ATOM 224 N PRO B 52 19.189 -9.901 7.087 1.00 10.81 N ATOM 225 CA PRO B 52 19.058 -8.617 6.387 1.00 11.69 C ATOM 226 C PRO B 52 17.620 -8.118 6.327 1.00 10.64 C ATOM 227 O PRO B 52 16.687 -8.880 6.074 1.00 9.96 O ATOM 228 CB PRO B 52 19.568 -8.928 4.972 1.00 13.68 C ATOM 229 CG PRO B 52 20.466 -10.092 5.140 1.00 12.13 C ATOM 230 CD PRO B 52 19.846 -10.916 6.245 1.00 11.69 C ATOM 231 HA PRO B 52 19.609 -7.827 6.897 1.00 0.00 H ATOM 232 HD3 PRO B 52 19.120 -11.624 5.846 1.00 0.00 H ATOM 233 HD2 PRO B 52 20.608 -11.457 6.806 1.00 0.00 H ATOM 234 HG3 PRO B 52 21.467 -9.765 5.422 1.00 0.00 H ATOM 235 HG2 PRO B 52 20.520 -10.669 4.217 1.00 0.00 H ATOM 236 HB2 PRO B 52 18.738 -9.176 4.310 1.00 0.00 H ATOM 237 HB3 PRO B 52 20.114 -8.077 4.565 1.00 0.00 H ATOM 238 N MET B 53 17.444 -6.821 6.536 1.00 11.07 N ATOM 239 CA MET B 53 16.123 -6.195 6.446 1.00 11.04 C ATOM 240 C MET B 53 15.402 -6.590 5.159 1.00 10.92 C ATOM 241 O MET B 53 14.206 -6.869 5.163 1.00 10.54 O ATOM 242 CB MET B 53 16.231 -4.665 6.518 1.00 12.80 C ATOM 243 CG MET B 53 16.558 -4.099 7.890 1.00 17.12 C ATOM 244 SD MET B 53 16.412 -2.309 7.950 1.00 20.60 S ATOM 245 CE MET B 53 16.673 -2.008 9.684 1.00 21.50 C ATOM 246 HA MET B 53 15.544 -6.554 7.297 1.00 0.00 H ATOM 247 HB2 MET B 53 17.014 -4.350 5.828 1.00 0.00 H ATOM 248 HB3 MET B 53 15.277 -4.245 6.199 1.00 0.00 H ATOM 249 HG2 MET B 53 17.580 -4.375 8.148 1.00 0.00 H ATOM 250 HG3 MET B 53 15.872 -4.530 8.619 1.00 0.00 H ATOM 251 HE1 MET B 53 15.908 -2.528 10.261 1.00 0.00 H ATOM 252 HE2 MET B 53 17.658 -2.375 9.971 1.00 0.00 H ATOM 253 HE3 MET B 53 16.612 -0.937 9.879 1.00 0.00 H ATOM 254 H MET B 53 18.268 -6.231 6.771 1.00 0.00 H ATOM 255 N GLU B 54 16.132 -6.613 4.053 1.00 10.66 N ATOM 256 CA GLU B 54 15.532 -6.907 2.761 1.00 11.76 C ATOM 257 C GLU B 54 14.975 -8.331 2.688 1.00 10.23 C ATOM 258 O GLU B 54 13.964 -8.567 2.007 1.00 10.37 O ATOM 259 CB GLU B 54 16.548 -6.677 1.628 1.00 17.54 C ATOM 260 CG GLU B 54 16.886 -5.222 1.415 1.00 24.69 C ATOM 261 CD GLU B 54 15.771 -4.452 0.733 1.00 30.49 C ATOM 262 OE1 GLU B 54 14.995 -5.076 -0.025 1.00 33.68 O ATOM 263 OE2 GLU B 54 15.686 -3.219 0.939 1.00 32.96 O ATOM 264 HA GLU B 54 14.693 -6.222 2.637 1.00 0.00 H ATOM 265 HB2 GLU B 54 17.465 -7.213 1.871 1.00 0.00 H ATOM 266 HB3 GLU B 54 16.131 -7.074 0.703 1.00 0.00 H ATOM 267 HG2 GLU B 54 17.083 -4.765 2.385 1.00 0.00 H ATOM 268 HG3 GLU B 54 17.781 -5.159 0.797 1.00 0.00 H ATOM 269 H GLU B 54 17.152 -6.417 4.110 1.00 0.00 H ATOM 270 N PHE B 55 15.616 -9.271 3.372 1.00 9.40 N ATOM 271 CA PHE B 55 15.095 -10.621 3.408 1.00 8.64 C ATOM 272 C PHE B 55 13.802 -10.689 4.204 1.00 7.43 C ATOM 273 O PHE B 55 12.886 -11.403 3.831 1.00 8.15 O ATOM 274 CB PHE B 55 16.111 -11.606 3.989 1.00 9.33 C ATOM 275 CG PHE B 55 15.598 -13.003 4.023 1.00 9.03 C ATOM 276 CD1 PHE B 55 15.473 -13.725 2.854 1.00 10.08 C ATOM 277 CD2 PHE B 55 15.194 -13.584 5.210 1.00 8.84 C ATOM 278 CE1 PHE B 55 14.973 -15.010 2.863 1.00 10.60 C ATOM 279 CE2 PHE B 55 14.702 -14.867 5.226 1.00 9.97 C ATOM 280 CZ PHE B 55 14.577 -15.572 4.047 1.00 9.89 C ATOM 281 HA PHE B 55 14.891 -10.908 2.376 1.00 0.00 H ATOM 282 HB2 PHE B 55 17.013 -11.580 3.377 1.00 0.00 H ATOM 283 HB3 PHE B 55 16.354 -11.298 5.006 1.00 0.00 H ATOM 284 HD2 PHE B 55 15.266 -13.021 6.140 1.00 0.00 H ATOM 285 HE2 PHE B 55 14.411 -15.327 6.170 1.00 0.00 H ATOM 286 HZ PHE B 55 14.162 -16.580 4.058 1.00 0.00 H ATOM 287 HE1 PHE B 55 14.894 -15.574 1.934 1.00 0.00 H ATOM 288 HD1 PHE B 55 15.774 -13.273 1.909 1.00 0.00 H ATOM 289 H PHE B 55 16.492 -9.038 3.882 1.00 0.00 H ATOM 290 N VAL B 56 13.724 -9.945 5.294 1.00 7.90 N ATOM 291 CA VAL B 56 12.509 -9.920 6.089 1.00 7.68 C ATOM 292 C VAL B 56 11.343 -9.361 5.261 1.00 7.21 C ATOM 293 O VAL B 56 10.240 -9.897 5.298 1.00 7.64 O ATOM 294 CB VAL B 56 12.708 -9.169 7.419 1.00 7.90 C ATOM 295 CG1 VAL B 56 11.408 -9.130 8.219 1.00 8.75 C ATOM 296 CG2 VAL B 56 13.822 -9.801 8.250 1.00 9.16 C ATOM 297 HA VAL B 56 12.256 -10.944 6.363 1.00 0.00 H ATOM 298 HB VAL B 56 13.001 -8.147 7.180 1.00 0.00 H ATOM 299 HG11 VAL B 56 10.640 -8.619 7.638 1.00 0.00 H ATOM 300 HG12 VAL B 56 11.085 -10.148 8.435 1.00 0.00 H ATOM 301 HG13 VAL B 56 11.574 -8.595 9.154 1.00 0.00 H ATOM 302 HG21 VAL B 56 13.566 -10.837 8.471 1.00 0.00 H ATOM 303 HG22 VAL B 56 14.756 -9.768 7.689 1.00 0.00 H ATOM 304 HG23 VAL B 56 13.937 -9.248 9.182 1.00 0.00 H ATOM 305 H VAL B 56 14.541 -9.372 5.585 1.00 0.00 H ATOM 306 N VAL B 57 11.580 -8.284 4.520 1.00 7.36 N ATOM 307 CA VAL B 57 10.552 -7.742 3.646 1.00 7.20 C ATOM 308 C VAL B 57 10.120 -8.793 2.630 1.00 7.37 C ATOM 309 O VAL B 57 8.925 -8.993 2.395 1.00 7.72 O ATOM 310 CB VAL B 57 11.066 -6.447 2.969 1.00 8.42 C ATOM 311 CG1 VAL B 57 10.121 -5.993 1.876 1.00 9.99 C ATOM 312 CG2 VAL B 57 11.237 -5.361 4.010 1.00 9.50 C ATOM 313 HA VAL B 57 9.671 -7.478 4.232 1.00 0.00 H ATOM 314 HB VAL B 57 12.031 -6.654 2.507 1.00 0.00 H ATOM 315 HG11 VAL B 57 10.040 -6.774 1.120 1.00 0.00 H ATOM 316 HG12 VAL B 57 9.138 -5.797 2.305 1.00 0.00 H ATOM 317 HG13 VAL B 57 10.507 -5.082 1.419 1.00 0.00 H ATOM 318 HG21 VAL B 57 10.278 -5.163 4.488 1.00 0.00 H ATOM 319 HG22 VAL B 57 11.957 -5.688 4.760 1.00 0.00 H ATOM 320 HG23 VAL B 57 11.599 -4.452 3.529 1.00 0.00 H ATOM 321 H VAL B 57 12.511 -7.823 4.566 1.00 0.00 H ATOM 322 N TYR B 58 11.093 -9.460 2.022 1.00 7.50 N ATOM 323 CA TYR B 58 10.826 -10.536 1.062 1.00 8.23 C ATOM 324 C TYR B 58 9.946 -11.629 1.670 1.00 7.93 C ATOM 325 O TYR B 58 8.984 -12.062 1.034 1.00 8.63 O ATOM 326 CB TYR B 58 12.157 -11.090 0.559 1.00 8.83 C ATOM 327 CG TYR B 58 12.115 -12.454 -0.126 1.00 10.70 C ATOM 328 CD1 TYR B 58 11.884 -12.612 -1.483 1.00 14.75 C ATOM 329 CD2 TYR B 58 12.378 -13.594 0.626 1.00 13.25 C ATOM 330 CE1 TYR B 58 11.897 -13.917 -2.059 1.00 15.06 C ATOM 331 CE2 TYR B 58 12.391 -14.844 0.088 1.00 16.77 C ATOM 332 CZ TYR B 58 12.148 -15.012 -1.236 1.00 17.04 C ATOM 333 OH TYR B 58 12.173 -16.305 -1.721 1.00 20.71 O ATOM 334 HA TYR B 58 10.267 -10.134 0.217 1.00 0.00 H ATOM 335 HB3 TYR B 58 12.827 -11.170 1.415 1.00 0.00 H ATOM 336 HB2 TYR B 58 12.565 -10.374 -0.154 1.00 0.00 H ATOM 337 HD2 TYR B 58 12.582 -13.482 1.691 1.00 0.00 H ATOM 338 HE2 TYR B 58 12.596 -15.708 0.720 1.00 0.00 H ATOM 339 HE1 TYR B 58 11.714 -14.055 -3.125 1.00 0.00 H ATOM 340 HD1 TYR B 58 11.693 -11.741 -2.109 1.00 0.00 H ATOM 341 HH TYR B 58 13.068 -16.698 -1.563 1.00 0.00 H ATOM 342 H TYR B 58 12.080 -9.211 2.234 1.00 0.00 H ATOM 343 N VAL B 59 10.245 -12.054 2.887 1.00 7.55 N ATOM 344 CA VAL B 59 9.460 -13.073 3.570 1.00 8.23 C ATOM 345 C VAL B 59 8.027 -12.617 3.790 1.00 7.46 C ATOM 346 O VAL B 59 7.074 -13.380 3.593 1.00 8.23 O ATOM 347 CB VAL B 59 10.120 -13.414 4.933 1.00 9.77 C ATOM 348 CG1 VAL B 59 9.134 -14.088 5.892 1.00 11.04 C ATOM 349 CG2 VAL B 59 11.360 -14.259 4.701 1.00 11.05 C ATOM 350 HA VAL B 59 9.436 -13.962 2.939 1.00 0.00 H ATOM 351 HB VAL B 59 10.422 -12.485 5.417 1.00 0.00 H ATOM 352 HG11 VAL B 59 8.294 -13.419 6.077 1.00 0.00 H ATOM 353 HG12 VAL B 59 8.771 -15.014 5.446 1.00 0.00 H ATOM 354 HG13 VAL B 59 9.638 -14.309 6.833 1.00 0.00 H ATOM 355 HG21 VAL B 59 11.080 -15.182 4.193 1.00 0.00 H ATOM 356 HG22 VAL B 59 12.067 -13.703 4.085 1.00 0.00 H ATOM 357 HG23 VAL B 59 11.821 -14.497 5.660 1.00 0.00 H ATOM 358 H VAL B 59 11.069 -11.646 3.373 1.00 0.00 H ATOM 359 N LEU B 60 7.869 -11.378 4.233 1.00 7.34 N ATOM 360 CA LEU B 60 6.535 -10.859 4.485 1.00 7.53 C ATOM 361 C LEU B 60 5.689 -10.775 3.220 1.00 7.70 C ATOM 362 O LEU B 60 4.489 -11.087 3.223 1.00 8.98 O ATOM 363 CB LEU B 60 6.636 -9.503 5.191 1.00 7.05 C ATOM 364 CG LEU B 60 7.084 -9.597 6.651 1.00 8.24 C ATOM 365 CD1 LEU B 60 7.592 -8.280 7.140 1.00 8.59 C ATOM 366 CD2 LEU B 60 5.956 -10.085 7.537 1.00 10.68 C ATOM 367 HA LEU B 60 6.018 -11.562 5.139 1.00 0.00 H ATOM 368 HB2 LEU B 60 7.354 -8.887 4.650 1.00 0.00 H ATOM 369 HB3 LEU B 60 5.656 -9.027 5.162 1.00 0.00 H ATOM 370 HG LEU B 60 7.897 -10.321 6.700 1.00 0.00 H ATOM 371 HD21 LEU B 60 5.119 -9.390 7.473 1.00 0.00 H ATOM 372 HD22 LEU B 60 5.637 -11.073 7.205 1.00 0.00 H ATOM 373 HD23 LEU B 60 6.304 -10.142 8.568 1.00 0.00 H ATOM 374 HD11 LEU B 60 8.442 -7.971 6.532 1.00 0.00 H ATOM 375 HD12 LEU B 60 6.800 -7.535 7.064 1.00 0.00 H ATOM 376 HD13 LEU B 60 7.904 -8.376 8.180 1.00 0.00 H ATOM 377 H LEU B 60 8.701 -10.776 4.401 1.00 0.00 H ATOM 378 N GLU B 61 6.314 -10.389 2.123 1.00 7.44 N ATOM 379 CA GLU B 61 5.620 -10.339 0.850 1.00 8.44 C ATOM 380 C GLU B 61 5.316 -11.737 0.327 1.00 9.22 C ATOM 381 O GLU B 61 4.247 -11.978 -0.229 1.00 11.01 O ATOM 382 CB GLU B 61 6.458 -9.576 -0.165 1.00 8.87 C ATOM 383 CG GLU B 61 6.634 -8.110 0.171 1.00 9.60 C ATOM 384 CD GLU B 61 7.670 -7.386 -0.678 1.00 14.15 C ATOM 385 OE1 GLU B 61 8.420 -8.022 -1.437 1.00 19.78 O ATOM 386 OE2 GLU B 61 7.776 -6.152 -0.512 1.00 15.65 O ATOM 387 HA GLU B 61 4.672 -9.824 1.002 1.00 0.00 H ATOM 388 HB2 GLU B 61 7.444 -10.039 -0.215 1.00 0.00 H ATOM 389 HB3 GLU B 61 5.973 -9.651 -1.138 1.00 0.00 H ATOM 390 HG2 GLU B 61 5.674 -7.612 0.035 1.00 0.00 H ATOM 391 HG3 GLU B 61 6.936 -8.034 1.215 1.00 0.00 H ATOM 392 H GLU B 61 7.317 -10.117 2.172 1.00 0.00 H ATOM 393 N ARG B 62 6.257 -12.662 0.480 1.00 8.28 N ATOM 394 CA ARG B 62 6.130 -13.988 -0.113 1.00 9.20 C ATOM 395 C ARG B 62 5.152 -14.891 0.632 1.00 9.14 C ATOM 396 O ARG B 62 4.365 -15.594 0.007 1.00 10.71 O ATOM 397 CB ARG B 62 7.501 -14.664 -0.178 1.00 9.97 C ATOM 398 CG ARG B 62 7.484 -16.073 -0.770 1.00 13.49 C ATOM 399 CD ARG B 62 8.880 -16.583 -0.999 1.00 16.46 C ATOM 400 NE ARG B 62 8.880 -17.868 -1.687 1.00 21.23 N ATOM 401 CZ ARG B 62 9.131 -18.036 -2.981 1.00 24.37 C ATOM 402 NH1 ARG B 62 9.403 -16.994 -3.763 1.00 25.43 N ATOM 403 NH2 ARG B 62 9.102 -19.256 -3.496 1.00 26.63 N ATOM 404 HA ARG B 62 5.728 -13.842 -1.115 1.00 0.00 H ATOM 405 HB2 ARG B 62 8.158 -14.045 -0.789 1.00 0.00 H ATOM 406 HB3 ARG B 62 7.900 -14.724 0.835 1.00 0.00 H ATOM 407 HG2 ARG B 62 6.969 -16.742 -0.081 1.00 0.00 H ATOM 408 HG3 ARG B 62 6.952 -16.053 -1.721 1.00 0.00 H ATOM 409 HD2 ARG B 62 9.377 -16.698 -0.036 1.00 0.00 H ATOM 410 HD3 ARG B 62 9.426 -15.859 -1.603 1.00 0.00 H ATOM 411 HE ARG B 62 8.668 -18.716 -1.124 1.00 0.00 H ATOM 412 HH12 ARG B 62 9.598 -17.140 -4.774 1.00 0.00 H ATOM 413 HH11 ARG B 62 9.421 -16.034 -3.363 1.00 0.00 H ATOM 414 HH22 ARG B 62 9.297 -19.398 -4.508 1.00 0.00 H ATOM 415 HH21 ARG B 62 8.884 -20.072 -2.889 1.00 0.00 H ATOM 416 H ARG B 62 7.106 -12.435 1.037 1.00 0.00 H ATOM 417 N PHE B 63 5.219 -14.893 1.956 1.00 8.64 N ATOM 418 CA PHE B 63 4.480 -15.855 2.760 1.00 8.83 C ATOM 419 C PHE B 63 3.256 -15.283 3.466 1.00 9.52 C ATOM 420 O PHE B 63 2.427 -16.043 3.930 1.00 10.49 O ATOM 421 CB PHE B 63 5.422 -16.488 3.789 1.00 10.14 C ATOM 422 CG PHE B 63 6.533 -17.276 3.161 1.00 9.65 C ATOM 423 CD1 PHE B 63 6.272 -18.505 2.588 1.00 10.76 C ATOM 424 CD2 PHE B 63 7.837 -16.795 3.144 1.00 11.01 C ATOM 425 CE1 PHE B 63 7.292 -19.235 1.996 1.00 12.04 C ATOM 426 CE2 PHE B 63 8.857 -17.517 2.555 1.00 11.84 C ATOM 427 CZ PHE B 63 8.579 -18.738 1.980 1.00 11.24 C ATOM 428 HA PHE B 63 4.097 -16.601 2.063 1.00 0.00 H ATOM 429 HB2 PHE B 63 5.859 -15.694 4.395 1.00 0.00 H ATOM 430 HB3 PHE B 63 4.842 -17.154 4.428 1.00 0.00 H ATOM 431 HD2 PHE B 63 8.059 -15.832 3.603 1.00 0.00 H ATOM 432 HE2 PHE B 63 9.874 -17.124 2.545 1.00 0.00 H ATOM 433 HZ PHE B 63 9.378 -19.313 1.511 1.00 0.00 H ATOM 434 HE1 PHE B 63 7.077 -20.203 1.543 1.00 0.00 H ATOM 435 HD1 PHE B 63 5.258 -18.904 2.601 1.00 0.00 H ATOM 436 H PHE B 63 5.816 -14.188 2.433 1.00 0.00 H ATOM 437 N PHE B 64 3.152 -13.965 3.570 1.00 8.34 N ATOM 438 CA PHE B 64 2.092 -13.354 4.358 1.00 8.40 C ATOM 439 C PHE B 64 1.258 -12.353 3.569 1.00 8.66 C ATOM 440 O PHE B 64 0.507 -11.577 4.144 1.00 9.93 O ATOM 441 CB PHE B 64 2.682 -12.722 5.612 1.00 8.71 C ATOM 442 CG PHE B 64 3.347 -13.734 6.490 1.00 7.51 C ATOM 443 CD1 PHE B 64 2.592 -14.566 7.305 1.00 7.68 C ATOM 444 CD2 PHE B 64 4.716 -13.889 6.486 1.00 7.88 C ATOM 445 CE1 PHE B 64 3.207 -15.527 8.103 1.00 8.18 C ATOM 446 CE2 PHE B 64 5.326 -14.851 7.271 1.00 8.83 C ATOM 447 CZ PHE B 64 4.579 -15.662 8.095 1.00 8.27 C ATOM 448 HA PHE B 64 1.401 -14.147 4.645 1.00 0.00 H ATOM 449 HB2 PHE B 64 3.418 -11.974 5.317 1.00 0.00 H ATOM 450 HB3 PHE B 64 1.882 -12.240 6.174 1.00 0.00 H ATOM 451 HD2 PHE B 64 5.328 -13.244 5.855 1.00 0.00 H ATOM 452 HE2 PHE B 64 6.409 -14.968 7.237 1.00 0.00 H ATOM 453 HZ PHE B 64 5.065 -16.401 8.732 1.00 0.00 H ATOM 454 HE1 PHE B 64 2.601 -16.175 8.736 1.00 0.00 H ATOM 455 HD1 PHE B 64 1.507 -14.466 7.320 1.00 0.00 H ATOM 456 H PHE B 64 3.840 -13.358 3.080 1.00 0.00 H ATOM 457 N ASN B 65 1.403 -12.368 2.249 1.00 9.52 N ATOM 458 CA ASN B 65 0.603 -11.549 1.356 1.00 9.50 C ATOM 459 C ASN B 65 0.651 -10.061 1.676 1.00 9.86 C ATOM 460 O ASN B 65 -0.326 -9.350 1.483 1.00 11.71 O ATOM 461 CB ASN B 65 -0.853 -12.028 1.339 1.00 10.81 C ATOM 462 CG ASN B 65 -1.643 -11.469 0.172 1.00 12.09 C ATOM 463 OD1 ASN B 65 -1.130 -11.325 -0.932 1.00 13.35 O ATOM 464 ND2 ASN B 65 -2.895 -11.139 0.418 1.00 13.55 N ATOM 465 HA ASN B 65 1.049 -11.671 0.369 1.00 0.00 H ATOM 466 HB2 ASN B 65 -0.861 -13.116 1.276 1.00 0.00 H ATOM 467 HB3 ASN B 65 -1.333 -11.716 2.266 1.00 0.00 H ATOM 468 HD22 ASN B 65 -3.292 -11.277 1.369 1.00 0.00 H ATOM 469 HD21 ASN B 65 -3.486 -10.740 -0.339 1.00 0.00 H ATOM 470 H ASN B 65 2.123 -12.995 1.836 1.00 0.00 H ATOM 471 N LYS B 66 1.788 -9.575 2.156 1.00 9.24 N ATOM 472 CA LYS B 66 1.880 -8.168 2.527 1.00 9.51 C ATOM 473 C LYS B 66 2.226 -7.305 1.328 1.00 9.06 C ATOM 474 O LYS B 66 3.053 -7.681 0.489 1.00 10.59 O ATOM 475 CB LYS B 66 2.935 -7.950 3.617 1.00 9.87 C ATOM 476 CG LYS B 66 2.613 -8.636 4.912 1.00 10.70 C ATOM 477 CD LYS B 66 1.316 -8.171 5.486 1.00 12.69 C ATOM 478 CE LYS B 66 1.100 -8.786 6.830 1.00 15.59 C ATOM 479 NZ LYS B 66 -0.263 -8.596 7.324 1.00 19.38 N ATOM 480 HA LYS B 66 0.902 -7.877 2.909 1.00 0.00 H ATOM 481 HB2 LYS B 66 3.890 -8.330 3.254 1.00 0.00 H ATOM 482 HB3 LYS B 66 3.020 -6.880 3.806 1.00 0.00 H ATOM 483 HG2 LYS B 66 2.555 -9.710 4.736 1.00 0.00 H ATOM 484 HG3 LYS B 66 3.409 -8.429 5.627 1.00 0.00 H ATOM 485 HD2 LYS B 66 1.333 -7.086 5.584 1.00 0.00 H ATOM 486 HD3 LYS B 66 0.502 -8.461 4.821 1.00 0.00 H ATOM 487 HE2 LYS B 66 1.794 -8.332 7.537 1.00 0.00 H ATOM 488 HE3 LYS B 66 1.301 -9.855 6.761 1.00 0.00 H ATOM 489 HZ1 LYS B 66 -0.463 -7.578 7.402 1.00 0.00 H ATOM 490 HZ2 LYS B 66 -0.935 -9.033 6.661 1.00 0.00 H ATOM 491 HZ3 LYS B 66 -0.357 -9.042 8.259 1.00 0.00 H ATOM 492 H LYS B 66 2.614 -10.197 2.268 1.00 0.00 H ATOM 493 N SER B 67 1.621 -6.123 1.273 1.00 9.45 N ATOM 494 CA SER B 67 2.009 -5.132 0.304 1.00 9.50 C ATOM 495 C SER B 67 3.432 -4.697 0.619 1.00 8.62 C ATOM 496 O SER B 67 3.937 -4.902 1.725 1.00 9.00 O ATOM 497 CB SER B 67 1.075 -3.924 0.369 1.00 10.35 C ATOM 498 OG SER B 67 1.263 -3.244 1.592 1.00 10.21 O ATOM 499 HA SER B 67 1.949 -5.554 -0.699 1.00 0.00 H ATOM 500 HB2 SER B 67 0.041 -4.261 0.296 1.00 0.00 H ATOM 501 HB3 SER B 67 1.295 -3.250 -0.459 1.00 0.00 H ATOM 502 HG SER B 67 0.656 -2.462 1.630 1.00 0.00 H ATOM 503 H SER B 67 0.854 -5.910 1.942 1.00 0.00 H ATOM 504 N ARG B 68 4.079 -4.056 -0.330 1.00 9.83 N ATOM 505 CA ARG B 68 5.435 -3.583 -0.106 1.00 11.26 C ATOM 506 C ARG B 68 5.479 -2.644 1.097 1.00 10.72 C ATOM 507 O ARG B 68 6.359 -2.755 1.958 1.00 9.87 O ATOM 508 CB ARG B 68 5.974 -2.870 -1.344 1.00 14.52 C ATOM 509 CG ARG B 68 7.447 -2.544 -1.221 1.00 16.97 C ATOM 510 CD ARG B 68 7.945 -1.636 -2.338 1.00 21.08 C ATOM 511 NE ARG B 68 7.191 -0.391 -2.405 1.00 25.06 N ATOM 512 CZ ARG B 68 6.611 0.082 -3.504 1.00 28.23 C ATOM 513 NH1 ARG B 68 6.701 -0.576 -4.649 1.00 28.76 N ATOM 514 NH2 ARG B 68 5.946 1.227 -3.464 1.00 29.03 N ATOM 515 HA ARG B 68 6.066 -4.449 0.096 1.00 0.00 H ATOM 516 HB2 ARG B 68 5.828 -3.514 -2.211 1.00 0.00 H ATOM 517 HB3 ARG B 68 5.419 -1.942 -1.484 1.00 0.00 H ATOM 518 HG2 ARG B 68 7.615 -2.046 -0.266 1.00 0.00 H ATOM 519 HG3 ARG B 68 8.014 -3.475 -1.249 1.00 0.00 H ATOM 520 HD2 ARG B 68 7.846 -2.160 -3.289 1.00 0.00 H ATOM 521 HD3 ARG B 68 8.995 -1.403 -2.161 1.00 0.00 H ATOM 522 HE ARG B 68 7.100 0.167 -1.532 1.00 0.00 H ATOM 523 HH12 ARG B 68 6.244 -0.198 -5.503 1.00 0.00 H ATOM 524 HH11 ARG B 68 7.229 -1.471 -4.694 1.00 0.00 H ATOM 525 HH22 ARG B 68 5.493 1.596 -4.325 1.00 0.00 H ATOM 526 HH21 ARG B 68 5.877 1.757 -2.572 1.00 0.00 H ATOM 527 H ARG B 68 3.617 -3.887 -1.246 1.00 0.00 H ATOM 528 N GLU B 69 4.520 -1.723 1.169 1.00 9.58 N ATOM 529 CA GLU B 69 4.503 -0.764 2.253 1.00 9.72 C ATOM 530 C GLU B 69 4.259 -1.452 3.588 1.00 9.34 C ATOM 531 O GLU B 69 4.934 -1.147 4.579 1.00 9.59 O ATOM 532 CB GLU B 69 3.419 0.285 2.013 1.00 11.60 C ATOM 533 CG GLU B 69 3.386 1.316 3.115 1.00 16.13 C ATOM 534 CD GLU B 69 2.471 2.466 2.805 1.00 24.33 C ATOM 535 OE1 GLU B 69 1.311 2.438 3.269 1.00 27.89 O ATOM 536 OE2 GLU B 69 2.911 3.396 2.096 1.00 28.41 O ATOM 537 HA GLU B 69 5.478 -0.278 2.286 1.00 0.00 H ATOM 538 HB2 GLU B 69 3.616 0.786 1.065 1.00 0.00 H ATOM 539 HB3 GLU B 69 2.450 -0.212 1.965 1.00 0.00 H ATOM 540 HG2 GLU B 69 3.045 0.836 4.032 1.00 0.00 H ATOM 541 HG3 GLU B 69 4.395 1.702 3.262 1.00 0.00 H ATOM 542 H GLU B 69 3.778 -1.693 0.441 1.00 0.00 H ATOM 543 N ASP B 70 3.301 -2.378 3.646 1.00 8.67 N ATOM 544 CA ASP B 70 3.009 -3.033 4.911 1.00 9.38 C ATOM 545 C ASP B 70 4.173 -3.926 5.344 1.00 8.17 C ATOM 546 O ASP B 70 4.491 -3.986 6.526 1.00 9.25 O ATOM 547 CB ASP B 70 1.740 -3.868 4.837 1.00 11.01 C ATOM 548 CG ASP B 70 0.477 -3.030 4.831 1.00 16.63 C ATOM 549 OD1 ASP B 70 0.538 -1.799 5.067 1.00 20.86 O ATOM 550 OD2 ASP B 70 -0.594 -3.620 4.581 1.00 20.73 O ATOM 551 HA ASP B 70 2.861 -2.243 5.647 1.00 0.00 H ATOM 552 HB2 ASP B 70 1.767 -4.461 3.923 1.00 0.00 H ATOM 553 HB3 ASP B 70 1.711 -4.533 5.700 1.00 0.00 H ATOM 554 H ASP B 70 2.766 -2.630 2.791 1.00 0.00 H ATOM 555 N ALA B 71 4.798 -4.625 4.396 1.00 8.19 N ATOM 556 CA ALA B 71 5.948 -5.470 4.699 1.00 8.63 C ATOM 557 C ALA B 71 7.080 -4.617 5.263 1.00 7.91 C ATOM 558 O ALA B 71 7.735 -4.980 6.238 1.00 8.84 O ATOM 559 CB ALA B 71 6.391 -6.195 3.453 1.00 8.78 C ATOM 560 HA ALA B 71 5.669 -6.211 5.448 1.00 0.00 H ATOM 561 HB1 ALA B 71 5.574 -6.815 3.085 1.00 0.00 H ATOM 562 HB2 ALA B 71 6.668 -5.468 2.690 1.00 0.00 H ATOM 563 HB3 ALA B 71 7.250 -6.824 3.686 1.00 0.00 H ATOM 564 H ALA B 71 4.457 -4.566 3.415 1.00 0.00 H ATOM 565 N THR B 72 7.303 -3.461 4.665 1.00 7.83 N ATOM 566 CA THR B 72 8.360 -2.581 5.132 1.00 8.17 C ATOM 567 C THR B 72 8.083 -2.098 6.560 1.00 7.81 C ATOM 568 O THR B 72 8.971 -2.093 7.413 1.00 8.60 O ATOM 569 CB THR B 72 8.549 -1.407 4.169 1.00 9.68 C ATOM 570 OG1 THR B 72 8.867 -1.910 2.872 1.00 11.61 O ATOM 571 CG2 THR B 72 9.660 -0.495 4.623 1.00 11.26 C ATOM 572 HA THR B 72 9.292 -3.147 5.155 1.00 0.00 H ATOM 573 HB THR B 72 7.621 -0.836 4.145 1.00 0.00 H ATOM 574 HG1 THR B 72 8.128 -2.487 2.553 1.00 0.00 H ATOM 575 HG23 THR B 72 9.426 -0.105 5.614 1.00 0.00 H ATOM 576 HG21 THR B 72 10.595 -1.055 4.662 1.00 0.00 H ATOM 577 HG22 THR B 72 9.760 0.332 3.920 1.00 0.00 H ATOM 578 H THR B 72 6.717 -3.178 3.853 1.00 0.00 H ATOM 579 N ARG B 73 6.849 -1.675 6.814 1.00 8.22 N ATOM 580 CA ARG B 73 6.477 -1.182 8.134 1.00 8.63 C ATOM 581 C ARG B 73 6.543 -2.277 9.204 1.00 7.74 C ATOM 582 O ARG B 73 6.996 -2.026 10.303 1.00 9.28 O ATOM 583 CB ARG B 73 5.101 -0.557 8.086 1.00 9.35 C ATOM 584 CG ARG B 73 5.098 0.763 7.306 1.00 11.49 C ATOM 585 CD ARG B 73 3.785 1.448 7.316 1.00 13.44 C ATOM 586 NE ARG B 73 3.814 2.643 6.487 1.00 16.59 N ATOM 587 CZ ARG B 73 2.786 3.466 6.344 1.00 19.64 C ATOM 588 NH1 ARG B 73 1.657 3.221 6.985 1.00 20.27 N ATOM 589 NH2 ARG B 73 2.890 4.523 5.558 1.00 22.67 N ATOM 590 HA ARG B 73 7.204 -0.422 8.418 1.00 0.00 H ATOM 591 HB2 ARG B 73 4.414 -1.253 7.604 1.00 0.00 H ATOM 592 HB3 ARG B 73 4.765 -0.365 9.105 1.00 0.00 H ATOM 593 HG2 ARG B 73 5.839 1.428 7.749 1.00 0.00 H ATOM 594 HG3 ARG B 73 5.372 0.554 6.272 1.00 0.00 H ATOM 595 HD2 ARG B 73 3.537 1.730 8.339 1.00 0.00 H ATOM 596 HD3 ARG B 73 3.024 0.767 6.934 1.00 0.00 H ATOM 597 HE ARG B 73 4.693 2.864 5.977 1.00 0.00 H ATOM 598 HH12 ARG B 73 0.847 3.864 6.876 1.00 0.00 H ATOM 599 HH11 ARG B 73 1.578 2.385 7.599 1.00 0.00 H ATOM 600 HH22 ARG B 73 2.083 5.169 5.446 1.00 0.00 H ATOM 601 HH21 ARG B 73 3.779 4.709 5.051 1.00 0.00 H ATOM 602 H ARG B 73 6.136 -1.696 6.057 1.00 0.00 H ATOM 603 N ILE B 74 6.127 -3.494 8.893 1.00 8.21 N ATOM 604 CA ILE B 74 6.209 -4.570 9.863 1.00 8.63 C ATOM 605 C ILE B 74 7.670 -4.905 10.140 1.00 8.03 C ATOM 606 O ILE B 74 8.060 -5.068 11.287 1.00 9.04 O ATOM 607 CB ILE B 74 5.432 -5.808 9.398 1.00 8.95 C ATOM 608 CG1 ILE B 74 3.937 -5.521 9.371 1.00 11.07 C ATOM 609 CG2 ILE B 74 5.730 -7.006 10.291 1.00 10.29 C ATOM 610 CD1 ILE B 74 3.134 -6.539 8.609 1.00 12.63 C ATOM 611 HA ILE B 74 5.745 -4.235 10.791 1.00 0.00 H ATOM 612 HB ILE B 74 5.757 -6.051 8.386 1.00 0.00 H ATOM 613 HG12 ILE B 74 3.574 -5.496 10.398 1.00 0.00 H ATOM 614 HG13 ILE B 74 3.783 -4.546 8.909 1.00 0.00 H ATOM 615 HD11 ILE B 74 3.476 -6.569 7.574 1.00 0.00 H ATOM 616 HD12 ILE B 74 3.266 -7.520 9.065 1.00 0.00 H ATOM 617 HD13 ILE B 74 2.080 -6.263 8.637 1.00 0.00 H ATOM 618 HG21 ILE B 74 6.797 -7.228 10.255 1.00 0.00 H ATOM 619 HG22 ILE B 74 5.440 -6.775 11.316 1.00 0.00 H ATOM 620 HG23 ILE B 74 5.166 -7.870 9.938 1.00 0.00 H ATOM 621 H ILE B 74 5.738 -3.681 7.947 1.00 0.00 H ATOM 622 N MET B 75 8.484 -5.001 9.098 1.00 7.87 N ATOM 623 CA MET B 75 9.906 -5.266 9.281 1.00 8.40 C ATOM 624 C MET B 75 10.523 -4.231 10.215 1.00 7.58 C ATOM 625 O MET B 75 11.271 -4.566 11.127 1.00 8.32 O ATOM 626 CB MET B 75 10.613 -5.294 7.923 1.00 8.02 C ATOM 627 CG MET B 75 12.119 -5.457 7.987 1.00 8.67 C ATOM 628 SD MET B 75 13.009 -3.929 8.300 1.00 10.06 S ATOM 629 CE MET B 75 12.749 -3.073 6.742 1.00 10.82 C ATOM 630 HA MET B 75 10.032 -6.244 9.745 1.00 0.00 H ATOM 631 HB2 MET B 75 10.207 -6.126 7.347 1.00 0.00 H ATOM 632 HB3 MET B 75 10.396 -4.358 7.409 1.00 0.00 H ATOM 633 HG2 MET B 75 12.460 -5.864 7.035 1.00 0.00 H ATOM 634 HG3 MET B 75 12.354 -6.160 8.786 1.00 0.00 H ATOM 635 HE1 MET B 75 13.167 -3.666 5.929 1.00 0.00 H ATOM 636 HE2 MET B 75 11.680 -2.934 6.579 1.00 0.00 H ATOM 637 HE3 MET B 75 13.242 -2.102 6.776 1.00 0.00 H ATOM 638 H MET B 75 8.103 -4.886 8.137 1.00 0.00 H ATOM 639 N LEU B 76 10.191 -2.969 10.004 1.00 8.12 N ATOM 640 CA LEU B 76 10.760 -1.912 10.823 1.00 9.00 C ATOM 641 C LEU B 76 10.234 -1.957 12.258 1.00 8.96 C ATOM 642 O LEU B 76 10.964 -1.718 13.211 1.00 9.76 O ATOM 643 CB LEU B 76 10.483 -0.539 10.196 1.00 9.01 C ATOM 644 CG LEU B 76 11.276 -0.288 8.925 1.00 9.78 C ATOM 645 CD1 LEU B 76 10.748 0.923 8.178 1.00 10.22 C ATOM 646 CD2 LEU B 76 12.748 -0.138 9.223 1.00 11.20 C ATOM 647 HA LEU B 76 11.837 -2.074 10.863 1.00 0.00 H ATOM 648 HB2 LEU B 76 9.421 -0.474 9.960 1.00 0.00 H ATOM 649 HB3 LEU B 76 10.740 0.232 10.923 1.00 0.00 H ATOM 650 HG LEU B 76 11.151 -1.158 8.281 1.00 0.00 H ATOM 651 HD21 LEU B 76 12.897 0.704 9.899 1.00 0.00 H ATOM 652 HD22 LEU B 76 13.118 -1.051 9.691 1.00 0.00 H ATOM 653 HD23 LEU B 76 13.289 0.041 8.294 1.00 0.00 H ATOM 654 HD11 LEU B 76 9.705 0.757 7.910 1.00 0.00 H ATOM 655 HD12 LEU B 76 10.825 1.804 8.816 1.00 0.00 H ATOM 656 HD13 LEU B 76 11.337 1.075 7.273 1.00 0.00 H ATOM 657 H LEU B 76 9.518 -2.731 9.247 1.00 0.00 H ATOM 658 N HIS B 77 8.966 -2.288 12.414 1.00 8.81 N ATOM 659 CA HIS B 77 8.397 -2.458 13.732 1.00 10.79 C ATOM 660 C HIS B 77 9.109 -3.560 14.510 1.00 8.99 C ATOM 661 O HIS B 77 9.358 -3.421 15.683 1.00 11.04 O ATOM 662 CB HIS B 77 6.911 -2.774 13.598 1.00 12.01 C ATOM 663 CG HIS B 77 6.222 -2.945 14.909 1.00 15.58 C ATOM 664 ND1 HIS B 77 5.696 -1.887 15.613 1.00 19.87 N ATOM 665 CD2 HIS B 77 5.991 -4.046 15.657 1.00 18.93 C ATOM 666 CE1 HIS B 77 5.155 -2.329 16.734 1.00 20.55 C ATOM 667 NE2 HIS B 77 5.321 -3.636 16.783 1.00 20.25 N ATOM 668 HA HIS B 77 8.527 -1.531 14.291 1.00 0.00 H ATOM 669 HB2 HIS B 77 6.431 -1.957 13.059 1.00 0.00 H ATOM 670 HB3 HIS B 77 6.804 -3.697 13.028 1.00 0.00 H ATOM 671 HD2 HIS B 77 6.282 -5.068 15.413 1.00 0.00 H ATOM 672 HE1 HIS B 77 4.658 -1.719 17.488 1.00 0.00 H ATOM 673 H HIS B 77 8.367 -2.429 11.576 1.00 0.00 H ATOM 674 N VAL B 78 9.449 -4.652 13.849 1.00 8.64 N ATOM 675 CA VAL B 78 10.142 -5.751 14.485 1.00 8.39 C ATOM 676 C VAL B 78 11.566 -5.323 14.845 1.00 8.40 C ATOM 677 O VAL B 78 12.056 -5.603 15.941 1.00 9.47 O ATOM 678 CB VAL B 78 10.185 -6.991 13.570 1.00 8.87 C ATOM 679 CG1 VAL B 78 10.995 -8.094 14.209 1.00 8.81 C ATOM 680 CG2 VAL B 78 8.785 -7.488 13.274 1.00 10.30 C ATOM 681 HA VAL B 78 9.598 -6.018 15.391 1.00 0.00 H ATOM 682 HB VAL B 78 10.660 -6.701 12.633 1.00 0.00 H ATOM 683 HG11 VAL B 78 12.013 -7.744 14.379 1.00 0.00 H ATOM 684 HG12 VAL B 78 10.541 -8.372 15.161 1.00 0.00 H ATOM 685 HG13 VAL B 78 11.013 -8.960 13.547 1.00 0.00 H ATOM 686 HG21 VAL B 78 8.291 -7.756 14.208 1.00 0.00 H ATOM 687 HG22 VAL B 78 8.219 -6.701 12.775 1.00 0.00 H ATOM 688 HG23 VAL B 78 8.841 -8.363 12.627 1.00 0.00 H ATOM 689 H VAL B 78 9.211 -4.724 12.839 1.00 0.00 H ATOM 690 N HIS B 79 12.224 -4.626 13.930 1.00 8.33 N ATOM 691 CA HIS B 79 13.540 -4.079 14.189 1.00 9.95 C ATOM 692 C HIS B 79 13.546 -3.183 15.443 1.00 11.09 C ATOM 693 O HIS B 79 14.456 -3.262 16.255 1.00 13.26 O ATOM 694 CB HIS B 79 13.991 -3.313 12.951 1.00 10.16 C ATOM 695 CG HIS B 79 15.326 -2.670 13.091 1.00 11.81 C ATOM 696 ND1 HIS B 79 16.509 -3.365 12.962 1.00 12.60 N ATOM 697 CD2 HIS B 79 15.662 -1.385 13.345 1.00 14.55 C ATOM 698 CE1 HIS B 79 17.520 -2.532 13.141 1.00 14.62 C ATOM 699 NE2 HIS B 79 17.033 -1.324 13.365 1.00 16.51 N ATOM 700 HA HIS B 79 14.239 -4.890 14.393 1.00 0.00 H ATOM 701 HB2 HIS B 79 14.031 -4.009 12.113 1.00 0.00 H ATOM 702 HB3 HIS B 79 13.256 -2.536 12.742 1.00 0.00 H ATOM 703 HD2 HIS B 79 14.974 -0.555 13.504 1.00 0.00 H ATOM 704 HE1 HIS B 79 18.577 -2.797 13.109 1.00 0.00 H ATOM 705 H HIS B 79 11.784 -4.467 13.001 1.00 0.00 H ATOM 706 N GLN B 80 12.496 -2.381 15.605 1.00 9.71 N ATOM 707 CA GLN B 80 12.396 -1.408 16.679 1.00 11.20 C ATOM 708 C GLN B 80 11.904 -1.994 18.001 1.00 11.69 C ATOM 709 O GLN B 80 12.322 -1.548 19.048 1.00 14.74 O ATOM 710 CB GLN B 80 11.478 -0.262 16.223 1.00 12.43 C ATOM 711 CG GLN B 80 12.084 0.550 15.079 1.00 13.90 C ATOM 712 CD GLN B 80 11.122 1.581 14.473 1.00 16.89 C ATOM 713 OE1 GLN B 80 9.899 1.458 14.600 1.00 21.14 O ATOM 714 NE2 GLN B 80 11.667 2.576 13.794 1.00 17.68 N ATOM 715 HA GLN B 80 13.403 -1.043 16.881 1.00 0.00 H ATOM 716 HB2 GLN B 80 10.530 -0.684 15.889 1.00 0.00 H ATOM 717 HB3 GLN B 80 11.301 0.402 17.069 1.00 0.00 H ATOM 718 HG2 GLN B 80 12.959 1.078 15.458 1.00 0.00 H ATOM 719 HG3 GLN B 80 12.389 -0.140 14.292 1.00 0.00 H ATOM 720 HE22 GLN B 80 12.701 2.644 13.711 1.00 0.00 H ATOM 721 HE21 GLN B 80 11.061 3.291 13.343 1.00 0.00 H ATOM 722 H GLN B 80 11.709 -2.455 14.930 1.00 0.00 H ATOM 723 N ASN B 81 11.037 -2.999 17.947 1.00 11.37 N ATOM 724 CA ASN B 81 10.353 -3.494 19.126 1.00 12.01 C ATOM 725 C ASN B 81 10.703 -4.915 19.503 1.00 10.69 C ATOM 726 O ASN B 81 10.344 -5.352 20.596 1.00 12.98 O ATOM 727 CB ASN B 81 8.854 -3.390 18.945 1.00 15.03 C ATOM 728 CG ASN B 81 8.411 -1.968 18.796 1.00 18.79 C ATOM 729 OD1 ASN B 81 8.044 -1.534 17.709 1.00 21.11 O ATOM 730 ND2 ASN B 81 8.496 -1.210 19.877 1.00 21.30 N ATOM 731 HA ASN B 81 10.697 -2.860 19.943 1.00 0.00 H ATOM 732 HB2 ASN B 81 8.566 -3.945 18.052 1.00 0.00 H ATOM 733 HB3 ASN B 81 8.362 -3.824 19.815 1.00 0.00 H ATOM 734 HD22 ASN B 81 8.813 -1.622 20.778 1.00 0.00 H ATOM 735 HD21 ASN B 81 8.246 -0.202 19.826 1.00 0.00 H ATOM 736 H ASN B 81 10.842 -3.446 17.028 1.00 0.00 H ATOM 737 N GLY B 82 11.380 -5.638 18.616 1.00 9.24 N ATOM 738 CA GLY B 82 11.877 -6.966 18.929 1.00 8.63 C ATOM 739 C GLY B 82 11.039 -8.105 18.381 1.00 7.92 C ATOM 740 O GLY B 82 11.508 -9.234 18.303 1.00 8.84 O ATOM 741 HA3 GLY B 82 11.918 -7.066 20.014 1.00 0.00 H ATOM 742 HA2 GLY B 82 12.883 -7.057 18.519 1.00 0.00 H ATOM 743 H GLY B 82 11.559 -5.241 17.671 1.00 0.00 H ATOM 744 N VAL B 83 9.786 -7.811 18.046 1.00 8.27 N ATOM 745 CA VAL B 83 8.822 -8.826 17.646 1.00 8.14 C ATOM 746 C VAL B 83 7.718 -8.099 16.893 1.00 7.99 C ATOM 747 O VAL B 83 7.484 -6.920 17.107 1.00 9.23 O ATOM 748 CB VAL B 83 8.262 -9.578 18.900 1.00 9.46 C ATOM 749 CG1 VAL B 83 7.531 -8.628 19.852 1.00 10.72 C ATOM 750 CG2 VAL B 83 7.397 -10.772 18.504 1.00 10.72 C ATOM 751 HA VAL B 83 9.282 -9.584 17.012 1.00 0.00 H ATOM 752 HB VAL B 83 9.117 -9.975 19.446 1.00 0.00 H ATOM 753 HG11 VAL B 83 8.221 -7.857 20.194 1.00 0.00 H ATOM 754 HG12 VAL B 83 6.695 -8.163 19.329 1.00 0.00 H ATOM 755 HG13 VAL B 83 7.158 -9.190 20.708 1.00 0.00 H ATOM 756 HG21 VAL B 83 6.554 -10.426 17.906 1.00 0.00 H ATOM 757 HG22 VAL B 83 7.993 -11.474 17.921 1.00 0.00 H ATOM 758 HG23 VAL B 83 7.028 -11.266 19.403 1.00 0.00 H ATOM 759 H VAL B 83 9.483 -6.817 18.071 1.00 0.00 H ATOM 760 N GLY B 84 7.029 -8.815 16.020 1.00 8.37 N ATOM 761 CA GLY B 84 5.885 -8.271 15.305 1.00 9.93 C ATOM 762 C GLY B 84 5.025 -9.346 14.684 1.00 8.87 C ATOM 763 O GLY B 84 5.460 -10.466 14.485 1.00 9.10 O ATOM 764 HA3 GLY B 84 6.247 -7.613 14.515 1.00 0.00 H ATOM 765 HA2 GLY B 84 5.277 -7.697 16.004 1.00 0.00 H ATOM 766 H GLY B 84 7.314 -9.799 15.839 1.00 0.00 H ATOM 767 N VAL B 85 3.813 -8.961 14.305 1.00 10.32 N ATOM 768 CA VAL B 85 2.806 -9.879 13.814 1.00 10.17 C ATOM 769 C VAL B 85 2.800 -9.898 12.281 1.00 9.53 C ATOM 770 O VAL B 85 2.707 -8.859 11.623 1.00 11.91 O ATOM 771 CB VAL B 85 1.392 -9.473 14.317 1.00 12.13 C ATOM 772 CG1 VAL B 85 0.314 -10.389 13.721 1.00 12.86 C ATOM 773 CG2 VAL B 85 1.348 -9.486 15.837 1.00 13.88 C ATOM 774 HA VAL B 85 3.051 -10.871 14.193 1.00 0.00 H ATOM 775 HB VAL B 85 1.183 -8.458 13.980 1.00 0.00 H ATOM 776 HG11 VAL B 85 0.335 -10.313 12.634 1.00 0.00 H ATOM 777 HG12 VAL B 85 0.510 -11.419 14.018 1.00 0.00 H ATOM 778 HG13 VAL B 85 -0.665 -10.083 14.089 1.00 0.00 H ATOM 779 HG21 VAL B 85 1.580 -10.488 16.197 1.00 0.00 H ATOM 780 HG22 VAL B 85 2.081 -8.780 16.226 1.00 0.00 H ATOM 781 HG23 VAL B 85 0.351 -9.200 16.173 1.00 0.00 H ATOM 782 H VAL B 85 3.574 -7.950 14.363 1.00 0.00 H ATOM 783 N CYS B 86 2.876 -11.101 11.729 1.00 9.52 N ATOM 784 CA CYS B 86 2.925 -11.334 10.294 1.00 9.84 C ATOM 785 C CYS B 86 1.550 -11.631 9.688 1.00 9.57 C ATOM 786 O CYS B 86 1.320 -11.371 8.522 1.00 10.36 O ATOM 787 CB CYS B 86 3.836 -12.540 10.017 1.00 10.40 C ATOM 788 SG CYS B 86 5.528 -12.393 10.513 1.00 13.63 S ATOM 789 HA CYS B 86 3.303 -10.420 9.836 1.00 0.00 H ATOM 790 HB2 CYS B 86 3.822 -12.724 8.943 1.00 0.00 H ATOM 791 HB3 CYS B 86 3.413 -13.399 10.537 1.00 0.00 H ATOM 792 HG CYS B 86 6.202 -13.554 10.194 1.00 0.00 H ATOM 793 H CYS B 86 2.902 -11.928 12.360 1.00 0.00 H ATOM 794 N GLY B 87 0.670 -12.236 10.472 1.00 9.49 N ATOM 795 CA GLY B 87 -0.641 -12.647 9.986 1.00 9.57 C ATOM 796 C GLY B 87 -1.349 -13.480 11.033 1.00 8.77 C ATOM 797 O GLY B 87 -0.762 -13.861 12.036 1.00 9.41 O ATOM 798 HA3 GLY B 87 -0.520 -13.237 9.078 1.00 0.00 H ATOM 799 HA2 GLY B 87 -1.238 -11.762 9.766 1.00 0.00 H ATOM 800 H GLY B 87 0.922 -12.423 11.463 1.00 0.00 H ATOM 801 N VAL B 88 -2.621 -13.773 10.781 1.00 8.57 N ATOM 802 CA VAL B 88 -3.459 -14.532 11.696 1.00 9.17 C ATOM 803 C VAL B 88 -4.169 -15.617 10.889 1.00 8.82 C ATOM 804 O VAL B 88 -4.761 -15.337 9.857 1.00 10.21 O ATOM 805 CB VAL B 88 -4.472 -13.617 12.403 1.00 10.75 C ATOM 806 CG1 VAL B 88 -5.387 -14.427 13.275 1.00 12.96 C ATOM 807 CG2 VAL B 88 -3.753 -12.571 13.222 1.00 11.68 C ATOM 808 HA VAL B 88 -2.847 -14.986 12.475 1.00 0.00 H ATOM 809 HB VAL B 88 -5.072 -13.112 11.646 1.00 0.00 H ATOM 810 HG11 VAL B 88 -5.926 -15.149 12.662 1.00 0.00 H ATOM 811 HG12 VAL B 88 -4.799 -14.954 14.026 1.00 0.00 H ATOM 812 HG13 VAL B 88 -6.098 -13.764 13.768 1.00 0.00 H ATOM 813 HG21 VAL B 88 -3.133 -13.062 13.972 1.00 0.00 H ATOM 814 HG22 VAL B 88 -3.125 -11.967 12.567 1.00 0.00 H ATOM 815 HG23 VAL B 88 -4.485 -11.932 13.716 1.00 0.00 H ATOM 816 H VAL B 88 -3.037 -13.444 9.887 1.00 0.00 H ATOM 817 N TYR B 89 -4.104 -16.853 11.370 1.00 8.52 N ATOM 818 CA TYR B 89 -4.571 -18.035 10.636 1.00 8.83 C ATOM 819 C TYR B 89 -5.137 -19.063 11.600 1.00 8.42 C ATOM 820 O TYR B 89 -4.951 -18.971 12.810 1.00 8.81 O ATOM 821 CB TYR B 89 -3.398 -18.684 9.871 1.00 9.10 C ATOM 822 CG TYR B 89 -2.636 -17.703 9.008 1.00 9.27 C ATOM 823 CD1 TYR B 89 -3.067 -17.399 7.733 1.00 10.84 C ATOM 824 CD2 TYR B 89 -1.517 -17.038 9.495 1.00 9.51 C ATOM 825 CE1 TYR B 89 -2.399 -16.470 6.953 1.00 11.69 C ATOM 826 CE2 TYR B 89 -0.849 -16.111 8.723 1.00 9.79 C ATOM 827 CZ TYR B 89 -1.293 -15.825 7.467 1.00 11.01 C ATOM 828 OH TYR B 89 -0.604 -14.895 6.736 1.00 13.72 O ATOM 829 HA TYR B 89 -5.343 -17.715 9.936 1.00 0.00 H ATOM 830 HB3 TYR B 89 -3.795 -19.473 9.232 1.00 0.00 H ATOM 831 HB2 TYR B 89 -2.708 -19.117 10.596 1.00 0.00 H ATOM 832 HD2 TYR B 89 -1.162 -17.253 10.503 1.00 0.00 H ATOM 833 HE2 TYR B 89 0.034 -15.607 9.117 1.00 0.00 H ATOM 834 HE1 TYR B 89 -2.744 -16.250 5.943 1.00 0.00 H ATOM 835 HD1 TYR B 89 -3.949 -17.899 7.333 1.00 0.00 H ATOM 836 HH TYR B 89 -1.034 -14.788 5.851 1.00 0.00 H ATOM 837 H TYR B 89 -3.700 -16.991 12.318 1.00 0.00 H ATOM 838 N THR B 90 -5.774 -20.094 11.069 1.00 8.75 N ATOM 839 CA THR B 90 -6.104 -21.262 11.886 1.00 9.51 C ATOM 840 C THR B 90 -4.806 -21.897 12.377 1.00 9.16 C ATOM 841 O THR B 90 -3.745 -21.681 11.786 1.00 9.74 O ATOM 842 CB THR B 90 -6.926 -22.278 11.085 1.00 11.67 C ATOM 843 OG1 THR B 90 -6.163 -22.715 9.961 1.00 14.66 O ATOM 844 CG2 THR B 90 -8.256 -21.676 10.611 1.00 14.34 C ATOM 845 HA THR B 90 -6.709 -20.948 12.737 1.00 0.00 H ATOM 846 HB THR B 90 -7.157 -23.124 11.733 1.00 0.00 H ATOM 847 HG1 THR B 90 -6.690 -23.372 9.441 1.00 0.00 H ATOM 848 HG23 THR B 90 -8.832 -21.345 11.475 1.00 0.00 H ATOM 849 HG21 THR B 90 -8.057 -20.826 9.959 1.00 0.00 H ATOM 850 HG22 THR B 90 -8.821 -22.431 10.064 1.00 0.00 H ATOM 851 H THR B 90 -6.042 -20.074 10.064 1.00 0.00 H ATOM 852 N TYR B 91 -4.902 -22.705 13.423 1.00 9.31 N ATOM 853 CA TYR B 91 -3.715 -23.280 14.061 1.00 9.65 C ATOM 854 C TYR B 91 -2.796 -23.981 13.056 1.00 8.67 C ATOM 855 O TYR B 91 -1.595 -23.729 13.028 1.00 9.10 O ATOM 856 CB TYR B 91 -4.128 -24.275 15.156 1.00 11.44 C ATOM 857 CG TYR B 91 -2.958 -24.769 16.004 1.00 14.37 C ATOM 858 CD1 TYR B 91 -2.458 -23.990 17.028 1.00 17.47 C ATOM 859 CD2 TYR B 91 -2.333 -25.985 15.752 1.00 17.60 C ATOM 860 CE1 TYR B 91 -1.401 -24.410 17.813 1.00 20.11 C ATOM 861 CE2 TYR B 91 -1.255 -26.411 16.531 1.00 19.15 C ATOM 862 CZ TYR B 91 -0.800 -25.606 17.555 1.00 20.44 C ATOM 863 OH TYR B 91 0.255 -25.987 18.362 1.00 24.51 O ATOM 864 HA TYR B 91 -3.159 -22.452 14.501 1.00 0.00 H ATOM 865 HB3 TYR B 91 -4.598 -25.136 14.681 1.00 0.00 H ATOM 866 HB2 TYR B 91 -4.848 -23.787 15.812 1.00 0.00 H ATOM 867 HD2 TYR B 91 -2.689 -26.614 14.936 1.00 0.00 H ATOM 868 HE2 TYR B 91 -0.778 -27.370 16.332 1.00 0.00 H ATOM 869 HE1 TYR B 91 -1.049 -23.787 18.635 1.00 0.00 H ATOM 870 HD1 TYR B 91 -2.909 -23.017 17.223 1.00 0.00 H ATOM 871 HH TYR B 91 0.429 -25.279 19.032 1.00 0.00 H ATOM 872 H TYR B 91 -5.843 -22.937 13.800 1.00 0.00 H ATOM 873 N GLU B 92 -3.351 -24.857 12.230 1.00 8.67 N ATOM 874 CA GLU B 92 -2.518 -25.670 11.360 1.00 8.65 C ATOM 875 C GLU B 92 -1.916 -24.855 10.231 1.00 8.33 C ATOM 876 O GLU B 92 -0.811 -25.140 9.784 1.00 9.15 O ATOM 877 CB GLU B 92 -3.292 -26.863 10.799 1.00 10.13 C ATOM 878 CG GLU B 92 -3.810 -27.808 11.868 1.00 13.84 C ATOM 879 CD GLU B 92 -5.123 -27.341 12.618 1.00 15.94 C ATOM 880 OE1 GLU B 92 -5.771 -26.284 12.305 1.00 16.69 O ATOM 881 OE2 GLU B 92 -5.523 -28.058 13.557 1.00 19.59 O ATOM 882 HA GLU B 92 -1.701 -26.049 11.974 1.00 0.00 H ATOM 883 HB2 GLU B 92 -4.142 -26.486 10.230 1.00 0.00 H ATOM 884 HB3 GLU B 92 -2.632 -27.421 10.136 1.00 0.00 H ATOM 885 HG2 GLU B 92 -4.017 -28.768 11.395 1.00 0.00 H ATOM 886 HG3 GLU B 92 -3.025 -27.934 12.613 1.00 0.00 H ATOM 887 H GLU B 92 -4.385 -24.963 12.205 1.00 0.00 H ATOM 888 N VAL B 93 -2.634 -23.842 9.765 1.00 8.45 N ATOM 889 CA VAL B 93 -2.092 -22.944 8.759 1.00 8.68 C ATOM 890 C VAL B 93 -0.987 -22.052 9.356 1.00 7.74 C ATOM 891 O VAL B 93 0.040 -21.816 8.717 1.00 7.88 O ATOM 892 CB VAL B 93 -3.203 -22.123 8.079 1.00 9.64 C ATOM 893 CG1 VAL B 93 -2.601 -21.084 7.148 1.00 10.89 C ATOM 894 CG2 VAL B 93 -4.130 -23.067 7.302 1.00 11.56 C ATOM 895 HA VAL B 93 -1.631 -23.549 7.978 1.00 0.00 H ATOM 896 HB VAL B 93 -3.781 -21.600 8.841 1.00 0.00 H ATOM 897 HG11 VAL B 93 -1.962 -20.412 7.721 1.00 0.00 H ATOM 898 HG12 VAL B 93 -2.009 -21.584 6.381 1.00 0.00 H ATOM 899 HG13 VAL B 93 -3.401 -20.513 6.676 1.00 0.00 H ATOM 900 HG21 VAL B 93 -3.553 -23.598 6.545 1.00 0.00 H ATOM 901 HG22 VAL B 93 -4.576 -23.784 7.991 1.00 0.00 H ATOM 902 HG23 VAL B 93 -4.917 -22.486 6.820 1.00 0.00 H ATOM 903 H VAL B 93 -3.598 -23.688 10.124 1.00 0.00 H ATOM 904 N ALA B 94 -1.186 -21.561 10.571 1.00 7.87 N ATOM 905 CA ALA B 94 -0.140 -20.813 11.259 1.00 7.53 C ATOM 906 C ALA B 94 1.109 -21.685 11.400 1.00 7.03 C ATOM 907 O ALA B 94 2.213 -21.218 11.162 1.00 7.41 O ATOM 908 CB ALA B 94 -0.644 -20.350 12.607 1.00 8.19 C ATOM 909 HA ALA B 94 0.126 -19.931 10.677 1.00 0.00 H ATOM 910 HB1 ALA B 94 -1.514 -19.709 12.467 1.00 0.00 H ATOM 911 HB2 ALA B 94 -0.922 -21.217 13.207 1.00 0.00 H ATOM 912 HB3 ALA B 94 0.142 -19.792 13.115 1.00 0.00 H ATOM 913 H ALA B 94 -2.102 -21.711 11.041 1.00 0.00 H ATOM 914 N GLU B 95 0.944 -22.957 11.769 1.00 7.46 N ATOM 915 CA GLU B 95 2.112 -23.832 11.893 1.00 7.45 C ATOM 916 C GLU B 95 2.814 -23.977 10.551 1.00 6.99 C ATOM 917 O GLU B 95 4.045 -24.061 10.483 1.00 7.54 O ATOM 918 CB GLU B 95 1.706 -25.229 12.352 1.00 8.78 C ATOM 919 CG GLU B 95 1.214 -25.445 13.752 1.00 11.25 C ATOM 920 CD GLU B 95 0.946 -26.931 13.943 1.00 12.02 C ATOM 921 OE1 GLU B 95 -0.169 -27.379 13.601 1.00 12.68 O ATOM 922 OE2 GLU B 95 1.864 -27.652 14.375 1.00 13.94 O ATOM 923 HA GLU B 95 2.776 -23.376 12.627 1.00 0.00 H ATOM 924 HB2 GLU B 95 0.911 -25.561 11.684 1.00 0.00 H ATOM 925 HB3 GLU B 95 2.579 -25.869 12.223 1.00 0.00 H ATOM 926 HG2 GLU B 95 1.970 -25.112 14.464 1.00 0.00 H ATOM 927 HG3 GLU B 95 0.295 -24.881 13.911 1.00 0.00 H ATOM 928 H GLU B 95 -0.008 -23.325 11.967 1.00 0.00 H ATOM 929 N THR B 96 2.029 -24.046 9.484 1.00 7.19 N ATOM 930 CA THR B 96 2.562 -24.162 8.133 1.00 6.90 C ATOM 931 C THR B 96 3.393 -22.934 7.778 1.00 6.80 C ATOM 932 O THR B 96 4.500 -23.057 7.272 1.00 7.61 O ATOM 933 CB THR B 96 1.425 -24.346 7.112 1.00 7.36 C ATOM 934 OG1 THR B 96 0.685 -25.530 7.432 1.00 8.31 O ATOM 935 CG2 THR B 96 1.949 -24.477 5.711 1.00 8.84 C ATOM 936 HA THR B 96 3.205 -25.042 8.097 1.00 0.00 H ATOM 937 HB THR B 96 0.789 -23.462 7.164 1.00 0.00 H ATOM 938 HG1 THR B 96 -0.046 -25.648 6.775 1.00 0.00 H ATOM 939 HG23 THR B 96 2.516 -23.583 5.451 1.00 0.00 H ATOM 940 HG21 THR B 96 2.597 -25.351 5.647 1.00 0.00 H ATOM 941 HG22 THR B 96 1.113 -24.592 5.021 1.00 0.00 H ATOM 942 H THR B 96 0.998 -24.016 9.616 1.00 0.00 H ATOM 943 N LYS B 97 2.856 -21.744 8.048 1.00 6.67 N ATOM 944 CA LYS B 97 3.563 -20.505 7.755 1.00 7.46 C ATOM 945 C LYS B 97 4.869 -20.419 8.551 1.00 6.60 C ATOM 946 O LYS B 97 5.906 -20.034 7.997 1.00 7.15 O ATOM 947 CB LYS B 97 2.676 -19.304 8.101 1.00 9.11 C ATOM 948 CG LYS B 97 1.431 -19.147 7.294 1.00 11.04 C ATOM 949 CD LYS B 97 1.708 -18.817 5.880 1.00 11.95 C ATOM 950 CE LYS B 97 0.399 -18.495 5.118 1.00 14.10 C ATOM 951 NZ LYS B 97 0.669 -18.214 3.696 1.00 12.83 N ATOM 952 HA LYS B 97 3.801 -20.493 6.691 1.00 0.00 H ATOM 953 HB2 LYS B 97 2.384 -19.397 9.147 1.00 0.00 H ATOM 954 HB3 LYS B 97 3.273 -18.401 7.970 1.00 0.00 H ATOM 955 HG2 LYS B 97 0.870 -20.081 7.331 1.00 0.00 H ATOM 956 HG3 LYS B 97 0.832 -18.347 7.729 1.00 0.00 H ATOM 957 HD2 LYS B 97 2.367 -17.950 5.839 1.00 0.00 H ATOM 958 HD3 LYS B 97 2.198 -19.667 5.405 1.00 0.00 H ATOM 959 HE2 LYS B 97 -0.072 -17.622 5.571 1.00 0.00 H ATOM 960 HE3 LYS B 97 -0.275 -19.348 5.191 1.00 0.00 H ATOM 961 HZ1 LYS B 97 1.308 -17.397 3.621 1.00 0.00 H ATOM 962 HZ2 LYS B 97 1.114 -19.046 3.258 1.00 0.00 H ATOM 963 HZ3 LYS B 97 -0.226 -18.002 3.210 1.00 0.00 H ATOM 964 H LYS B 97 1.910 -21.699 8.478 1.00 0.00 H ATOM 965 N VAL B 98 4.826 -20.745 9.843 1.00 6.77 N ATOM 966 CA VAL B 98 6.028 -20.720 10.667 1.00 6.49 C ATOM 967 C VAL B 98 7.086 -21.617 10.038 1.00 6.61 C ATOM 968 O VAL B 98 8.239 -21.229 9.879 1.00 7.00 O ATOM 969 CB VAL B 98 5.700 -21.170 12.116 1.00 7.74 C ATOM 970 CG1 VAL B 98 6.983 -21.415 12.906 1.00 7.78 C ATOM 971 CG2 VAL B 98 4.853 -20.137 12.829 1.00 7.97 C ATOM 972 HA VAL B 98 6.416 -19.703 10.718 1.00 0.00 H ATOM 973 HB VAL B 98 5.136 -22.100 12.053 1.00 0.00 H ATOM 974 HG11 VAL B 98 7.566 -22.195 12.417 1.00 0.00 H ATOM 975 HG12 VAL B 98 7.566 -20.495 12.945 1.00 0.00 H ATOM 976 HG13 VAL B 98 6.730 -21.729 13.919 1.00 0.00 H ATOM 977 HG21 VAL B 98 5.394 -19.192 12.871 1.00 0.00 H ATOM 978 HG22 VAL B 98 3.918 -19.998 12.286 1.00 0.00 H ATOM 979 HG23 VAL B 98 4.640 -20.480 13.841 1.00 0.00 H ATOM 980 H VAL B 98 3.919 -21.022 10.270 1.00 0.00 H ATOM 981 N ALA B 99 6.684 -22.828 9.674 1.00 6.15 N ATOM 982 CA ALA B 99 7.604 -23.790 9.103 1.00 6.84 C ATOM 983 C ALA B 99 8.165 -23.290 7.776 1.00 6.46 C ATOM 984 O ALA B 99 9.369 -23.414 7.495 1.00 7.27 O ATOM 985 CB ALA B 99 6.917 -25.129 8.899 1.00 7.00 C ATOM 986 HA ALA B 99 8.430 -23.917 9.803 1.00 0.00 H ATOM 987 HB1 ALA B 99 6.563 -25.504 9.859 1.00 0.00 H ATOM 988 HB2 ALA B 99 6.072 -25.003 8.223 1.00 0.00 H ATOM 989 HB3 ALA B 99 7.625 -25.838 8.469 1.00 0.00 H ATOM 990 H ALA B 99 5.686 -23.092 9.802 1.00 0.00 H ATOM 991 N GLN B 100 7.316 -22.702 6.938 1.00 6.44 N ATOM 992 CA GLN B 100 7.777 -22.199 5.657 1.00 7.21 C ATOM 993 C GLN B 100 8.795 -21.072 5.826 1.00 6.84 C ATOM 994 O GLN B 100 9.764 -20.979 5.068 1.00 7.30 O ATOM 995 CB GLN B 100 6.595 -21.753 4.819 1.00 7.59 C ATOM 996 CG GLN B 100 5.794 -22.941 4.302 1.00 8.88 C ATOM 997 CD GLN B 100 4.588 -22.548 3.505 1.00 11.00 C ATOM 998 OE1 GLN B 100 4.289 -21.370 3.366 1.00 14.50 O ATOM 999 NE2 GLN B 100 3.898 -23.535 2.950 1.00 11.02 N ATOM 1000 HA GLN B 100 8.287 -23.009 5.136 1.00 0.00 H ATOM 1001 HB2 GLN B 100 5.945 -21.126 5.429 1.00 0.00 H ATOM 1002 HB3 GLN B 100 6.961 -21.176 3.970 1.00 0.00 H ATOM 1003 HG2 GLN B 100 6.443 -23.546 3.670 1.00 0.00 H ATOM 1004 HG3 GLN B 100 5.465 -23.534 5.156 1.00 0.00 H ATOM 1005 HE22 GLN B 100 4.192 -24.522 3.097 1.00 0.00 H ATOM 1006 HE21 GLN B 100 3.063 -23.322 2.367 1.00 0.00 H ATOM 1007 H GLN B 100 6.315 -22.602 7.202 1.00 0.00 H ATOM 1008 N VAL B 101 8.587 -20.204 6.812 1.00 6.79 N ATOM 1009 CA VAL B 101 9.529 -19.120 7.077 1.00 6.45 C ATOM 1010 C VAL B 101 10.875 -19.652 7.562 1.00 6.30 C ATOM 1011 O VAL B 101 11.925 -19.209 7.108 1.00 6.58 O ATOM 1012 CB VAL B 101 8.958 -18.126 8.100 1.00 7.29 C ATOM 1013 CG1 VAL B 101 10.040 -17.127 8.533 1.00 8.54 C ATOM 1014 CG2 VAL B 101 7.751 -17.394 7.538 1.00 8.30 C ATOM 1015 HA VAL B 101 9.688 -18.598 6.133 1.00 0.00 H ATOM 1016 HB VAL B 101 8.631 -18.689 8.974 1.00 0.00 H ATOM 1017 HG11 VAL B 101 10.871 -17.667 8.986 1.00 0.00 H ATOM 1018 HG12 VAL B 101 10.395 -16.577 7.661 1.00 0.00 H ATOM 1019 HG13 VAL B 101 9.620 -16.430 9.258 1.00 0.00 H ATOM 1020 HG21 VAL B 101 8.045 -16.844 6.644 1.00 0.00 H ATOM 1021 HG22 VAL B 101 6.976 -18.117 7.283 1.00 0.00 H ATOM 1022 HG23 VAL B 101 7.370 -16.698 8.285 1.00 0.00 H ATOM 1023 H VAL B 101 7.738 -20.299 7.405 1.00 0.00 H ATOM 1024 N ILE B 102 10.850 -20.594 8.489 1.00 6.07 N ATOM 1025 CA ILE B 102 12.090 -21.156 9.004 1.00 6.53 C ATOM 1026 C ILE B 102 12.865 -21.870 7.891 1.00 6.12 C ATOM 1027 O ILE B 102 14.068 -21.678 7.731 1.00 7.12 O ATOM 1028 CB ILE B 102 11.805 -22.096 10.193 1.00 7.07 C ATOM 1029 CG1 ILE B 102 11.352 -21.279 11.416 1.00 7.89 C ATOM 1030 CG2 ILE B 102 13.026 -22.969 10.513 1.00 8.19 C ATOM 1031 CD1 ILE B 102 10.642 -22.103 12.483 1.00 9.56 C ATOM 1032 HA ILE B 102 12.717 -20.342 9.369 1.00 0.00 H ATOM 1033 HB ILE B 102 10.995 -22.771 9.919 1.00 0.00 H ATOM 1034 HG12 ILE B 102 12.232 -20.819 11.866 1.00 0.00 H ATOM 1035 HG13 ILE B 102 10.671 -20.500 11.075 1.00 0.00 H ATOM 1036 HD11 ILE B 102 9.751 -22.561 12.053 1.00 0.00 H ATOM 1037 HD12 ILE B 102 11.313 -22.881 12.846 1.00 0.00 H ATOM 1038 HD13 ILE B 102 10.355 -21.454 13.310 1.00 0.00 H ATOM 1039 HG21 ILE B 102 13.277 -23.574 9.642 1.00 0.00 H ATOM 1040 HG22 ILE B 102 13.871 -22.330 10.768 1.00 0.00 H ATOM 1041 HG23 ILE B 102 12.794 -23.621 11.355 1.00 0.00 H ATOM 1042 H ILE B 102 9.938 -20.936 8.853 1.00 0.00 H ATOM 1043 N ASP B 103 12.172 -22.699 7.126 1.00 6.27 N ATOM 1044 CA ASP B 103 12.776 -23.382 5.993 1.00 7.56 C ATOM 1045 C ASP B 103 13.432 -22.370 5.035 1.00 7.29 C ATOM 1046 O ASP B 103 14.591 -22.508 4.662 1.00 8.00 O ATOM 1047 CB ASP B 103 11.702 -24.204 5.276 1.00 7.48 C ATOM 1048 CG ASP B 103 12.156 -24.725 3.956 1.00 9.70 C ATOM 1049 OD1 ASP B 103 13.199 -25.402 3.913 1.00 10.57 O ATOM 1050 OD2 ASP B 103 11.482 -24.430 2.940 1.00 12.38 O ATOM 1051 HA ASP B 103 13.560 -24.051 6.346 1.00 0.00 H ATOM 1052 HB2 ASP B 103 11.430 -25.049 5.909 1.00 0.00 H ATOM 1053 HB3 ASP B 103 10.827 -23.573 5.119 1.00 0.00 H ATOM 1054 H ASP B 103 11.168 -22.866 7.341 1.00 0.00 H ATOM 1055 N SER B 104 12.677 -21.357 4.641 1.00 7.23 N ATOM 1056 CA SER B 104 13.202 -20.346 3.742 1.00 7.51 C ATOM 1057 C SER B 104 14.412 -19.652 4.368 1.00 7.11 C ATOM 1058 O SER B 104 15.458 -19.501 3.726 1.00 7.75 O ATOM 1059 CB SER B 104 12.127 -19.323 3.409 1.00 8.41 C ATOM 1060 OG SER B 104 12.695 -18.307 2.607 1.00 10.03 O ATOM 1061 HA SER B 104 13.517 -20.835 2.820 1.00 0.00 H ATOM 1062 HB2 SER B 104 11.737 -18.888 4.329 1.00 0.00 H ATOM 1063 HB3 SER B 104 11.316 -19.808 2.866 1.00 0.00 H ATOM 1064 HG SER B 104 13.048 -18.706 1.773 1.00 0.00 H ATOM 1065 H SER B 104 11.696 -21.285 4.979 1.00 0.00 H ATOM 1066 N ALA B 105 14.284 -19.219 5.612 1.00 6.69 N ATOM 1067 CA ALA B 105 15.376 -18.487 6.234 1.00 7.01 C ATOM 1068 C ALA B 105 16.650 -19.294 6.277 1.00 6.72 C ATOM 1069 O ALA B 105 17.705 -18.803 5.898 1.00 7.15 O ATOM 1070 CB ALA B 105 14.981 -18.017 7.628 1.00 6.88 C ATOM 1071 HA ALA B 105 15.575 -17.612 5.615 1.00 0.00 H ATOM 1072 HB1 ALA B 105 14.112 -17.363 7.557 1.00 0.00 H ATOM 1073 HB2 ALA B 105 14.737 -18.881 8.246 1.00 0.00 H ATOM 1074 HB3 ALA B 105 15.812 -17.472 8.075 1.00 0.00 H ATOM 1075 H ALA B 105 13.408 -19.401 6.142 1.00 0.00 H ATOM 1076 N ARG B 106 16.570 -20.532 6.736 1.00 6.58 N ATOM 1077 CA ARG B 106 17.778 -21.336 6.860 1.00 7.31 C ATOM 1078 C ARG B 106 18.382 -21.645 5.491 1.00 7.69 C ATOM 1079 O ARG B 106 19.601 -21.631 5.336 1.00 8.71 O ATOM 1080 CB ARG B 106 17.511 -22.617 7.641 1.00 7.61 C ATOM 1081 CG ARG B 106 17.003 -22.398 9.037 1.00 7.69 C ATOM 1082 CD ARG B 106 17.964 -21.549 9.933 1.00 7.93 C ATOM 1083 NE ARG B 106 17.307 -21.343 11.218 1.00 8.56 N ATOM 1084 CZ ARG B 106 16.425 -20.379 11.453 1.00 8.15 C ATOM 1085 NH1 ARG B 106 16.230 -19.412 10.572 1.00 8.07 N ATOM 1086 NH2 ARG B 106 15.758 -20.370 12.592 1.00 9.24 N ATOM 1087 HA ARG B 106 18.506 -20.749 7.420 1.00 0.00 H ATOM 1088 HB2 ARG B 106 16.769 -23.201 7.096 1.00 0.00 H ATOM 1089 HB3 ARG B 106 18.442 -23.180 7.701 1.00 0.00 H ATOM 1090 HG2 ARG B 106 16.044 -21.883 8.977 1.00 0.00 H ATOM 1091 HG3 ARG B 106 16.863 -23.371 9.509 1.00 0.00 H ATOM 1092 HD2 ARG B 106 18.162 -20.588 9.459 1.00 0.00 H ATOM 1093 HD3 ARG B 106 18.904 -22.081 10.078 1.00 0.00 H ATOM 1094 HE ARG B 106 17.543 -21.990 11.997 1.00 0.00 H ATOM 1095 HH12 ARG B 106 15.536 -18.662 10.768 1.00 0.00 H ATOM 1096 HH11 ARG B 106 16.771 -19.401 9.684 1.00 0.00 H ATOM 1097 HH22 ARG B 106 15.065 -19.618 12.783 1.00 0.00 H ATOM 1098 HH21 ARG B 106 15.925 -21.115 13.298 1.00 0.00 H ATOM 1099 H ARG B 106 15.648 -20.930 7.007 1.00 0.00 H ATOM 1100 N ARG B 107 17.553 -21.878 4.470 1.00 7.32 N ATOM 1101 CA ARG B 107 18.082 -22.126 3.136 1.00 8.28 C ATOM 1102 C ARG B 107 18.705 -20.873 2.518 1.00 7.63 C ATOM 1103 O ARG B 107 19.482 -20.966 1.575 1.00 9.31 O ATOM 1104 CB ARG B 107 17.014 -22.735 2.231 1.00 9.27 C ATOM 1105 CG ARG B 107 16.721 -24.181 2.595 1.00 11.90 C ATOM 1106 CD ARG B 107 15.802 -24.859 1.572 1.00 14.89 C ATOM 1107 NE ARG B 107 14.484 -24.248 1.580 1.00 15.10 N ATOM 1108 CZ ARG B 107 14.043 -23.320 0.734 1.00 15.90 C ATOM 1109 NH1 ARG B 107 14.770 -22.932 -0.308 1.00 16.72 N ATOM 1110 NH2 ARG B 107 12.836 -22.804 0.909 1.00 17.16 N ATOM 1111 HA ARG B 107 18.889 -22.852 3.235 1.00 0.00 H ATOM 1112 HB2 ARG B 107 16.097 -22.154 2.327 1.00 0.00 H ATOM 1113 HB3 ARG B 107 17.361 -22.694 1.199 1.00 0.00 H ATOM 1114 HG2 ARG B 107 17.662 -24.730 2.641 1.00 0.00 H ATOM 1115 HG3 ARG B 107 16.239 -24.207 3.572 1.00 0.00 H ATOM 1116 HD2 ARG B 107 15.708 -25.916 1.821 1.00 0.00 H ATOM 1117 HD3 ARG B 107 16.237 -24.758 0.578 1.00 0.00 H ATOM 1118 HE ARG B 107 13.822 -24.566 2.317 1.00 0.00 H ATOM 1119 HH12 ARG B 107 14.404 -22.205 -0.955 1.00 0.00 H ATOM 1120 HH11 ARG B 107 15.705 -23.355 -0.476 1.00 0.00 H ATOM 1121 HH22 ARG B 107 12.481 -22.078 0.254 1.00 0.00 H ATOM 1122 HH21 ARG B 107 12.243 -23.125 1.701 1.00 0.00 H ATOM 1123 H ARG B 107 16.525 -21.882 4.628 1.00 0.00 H ATOM 1124 N HIS B 108 18.351 -19.708 3.043 1.00 8.56 N ATOM 1125 CA HIS B 108 18.970 -18.439 2.673 1.00 10.15 C ATOM 1126 C HIS B 108 20.092 -18.042 3.649 1.00 10.98 C ATOM 1127 O HIS B 108 20.597 -16.942 3.597 1.00 13.92 O ATOM 1128 CB HIS B 108 17.932 -17.314 2.642 1.00 10.46 C ATOM 1129 CG HIS B 108 16.989 -17.372 1.487 1.00 10.61 C ATOM 1130 ND1 HIS B 108 15.933 -18.249 1.420 1.00 11.31 N ATOM 1131 CD2 HIS B 108 16.921 -16.620 0.365 1.00 11.93 C ATOM 1132 CE1 HIS B 108 15.249 -18.032 0.310 1.00 11.80 C ATOM 1133 NE2 HIS B 108 15.837 -17.054 -0.355 1.00 12.51 N ATOM 1134 HA HIS B 108 19.397 -18.580 1.680 1.00 0.00 H ATOM 1135 HB2 HIS B 108 17.348 -17.364 3.561 1.00 0.00 H ATOM 1136 HB3 HIS B 108 18.462 -16.363 2.601 1.00 0.00 H ATOM 1137 HD2 HIS B 108 17.602 -15.817 0.084 1.00 0.00 H ATOM 1138 HE1 HIS B 108 14.353 -18.568 -0.003 1.00 0.00 H ATOM 1139 H HIS B 108 17.593 -19.698 3.755 1.00 0.00 H ATOM 1140 N GLN B 109 20.468 -18.967 4.526 1.00 10.37 N ATOM 1141 CA GLN B 109 21.584 -18.755 5.434 1.00 11.69 C ATOM 1142 C GLN B 109 21.335 -17.637 6.463 1.00 10.96 C ATOM 1143 O GLN B 109 22.249 -16.908 6.820 1.00 12.69 O ATOM 1144 CB GLN B 109 22.856 -18.488 4.615 1.00 15.01 C ATOM 1145 CG GLN B 109 23.081 -19.500 3.494 1.00 19.10 C ATOM 1146 CD GLN B 109 23.563 -20.827 4.023 1.00 23.46 C ATOM 1147 OE1 GLN B 109 22.838 -21.820 3.994 1.00 26.19 O ATOM 1148 NE2 GLN B 109 24.795 -20.849 4.525 1.00 24.68 N ATOM 1149 HA GLN B 109 21.706 -19.664 6.023 1.00 0.00 H ATOM 1150 HB2 GLN B 109 22.780 -17.494 4.173 1.00 0.00 H ATOM 1151 HB3 GLN B 109 23.713 -18.521 5.287 1.00 0.00 H ATOM 1152 HG2 GLN B 109 22.142 -19.652 2.963 1.00 0.00 H ATOM 1153 HG3 GLN B 109 23.827 -19.103 2.805 1.00 0.00 H ATOM 1154 HE22 GLN B 109 25.371 -19.983 4.528 1.00 0.00 H ATOM 1155 HE21 GLN B 109 25.182 -21.732 4.915 1.00 0.00 H ATOM 1156 H GLN B 109 19.950 -19.868 4.564 1.00 0.00 H ATOM 1157 N HIS B 110 20.103 -17.530 6.955 1.00 8.51 N ATOM 1158 CA HIS B 110 19.751 -16.538 7.963 1.00 8.39 C ATOM 1159 C HIS B 110 19.125 -17.221 9.169 1.00 8.19 C ATOM 1160 O HIS B 110 18.404 -18.207 9.008 1.00 9.15 O ATOM 1161 CB HIS B 110 18.758 -15.530 7.411 1.00 8.57 C ATOM 1162 CG HIS B 110 19.215 -14.863 6.157 1.00 9.34 C ATOM 1163 ND1 HIS B 110 20.469 -14.309 6.022 1.00 11.35 N ATOM 1164 CD2 HIS B 110 18.585 -14.649 4.980 1.00 9.66 C ATOM 1165 CE1 HIS B 110 20.593 -13.791 4.812 1.00 11.29 C ATOM 1166 NE2 HIS B 110 19.461 -13.976 4.161 1.00 11.74 N ATOM 1167 HA HIS B 110 20.665 -16.021 8.254 1.00 0.00 H ATOM 1168 HB2 HIS B 110 17.821 -16.047 7.204 1.00 0.00 H ATOM 1169 HB3 HIS B 110 18.589 -14.763 8.167 1.00 0.00 H ATOM 1170 HD2 HIS B 110 17.570 -14.954 4.727 1.00 0.00 H ATOM 1171 HE1 HIS B 110 21.480 -13.295 4.419 1.00 0.00 H ATOM 1172 H HIS B 110 19.366 -18.177 6.608 1.00 0.00 H ATOM 1173 N PRO B 111 19.359 -16.679 10.369 1.00 8.79 N ATOM 1174 CA PRO B 111 18.873 -17.304 11.603 1.00 9.00 C ATOM 1175 C PRO B 111 17.485 -16.845 12.054 1.00 9.03 C ATOM 1176 O PRO B 111 17.077 -17.160 13.163 1.00 10.41 O ATOM 1177 CB PRO B 111 19.916 -16.877 12.628 1.00 10.73 C ATOM 1178 CG PRO B 111 20.286 -15.496 12.152 1.00 10.14 C ATOM 1179 CD PRO B 111 20.299 -15.577 10.653 1.00 9.74 C ATOM 1180 HA PRO B 111 18.757 -18.379 11.468 1.00 0.00 H ATOM 1181 HD3 PRO B 111 19.955 -14.644 10.207 1.00 0.00 H ATOM 1182 HD2 PRO B 111 21.297 -15.809 10.282 1.00 0.00 H ATOM 1183 HG3 PRO B 111 21.270 -15.215 12.527 1.00 0.00 H ATOM 1184 HG2 PRO B 111 19.549 -14.767 12.488 1.00 0.00 H ATOM 1185 HB2 PRO B 111 19.494 -16.849 13.633 1.00 0.00 H ATOM 1186 HB3 PRO B 111 20.778 -17.544 12.616 1.00 0.00 H ATOM 1187 N LEU B 112 16.764 -16.126 11.198 1.00 8.00 N ATOM 1188 CA LEU B 112 15.447 -15.568 11.513 1.00 7.64 C ATOM 1189 C LEU B 112 14.586 -16.565 12.289 1.00 7.71 C ATOM 1190 O LEU B 112 14.392 -17.703 11.851 1.00 8.86 O ATOM 1191 CB LEU B 112 14.744 -15.189 10.217 1.00 7.69 C ATOM 1192 CG LEU B 112 13.374 -14.511 10.342 1.00 8.98 C ATOM 1193 CD1 LEU B 112 13.446 -13.178 11.067 1.00 10.00 C ATOM 1194 CD2 LEU B 112 12.771 -14.374 8.956 1.00 9.59 C ATOM 1195 HA LEU B 112 15.588 -14.688 12.140 1.00 0.00 H ATOM 1196 HB2 LEU B 112 15.400 -14.509 9.673 1.00 0.00 H ATOM 1197 HB3 LEU B 112 14.608 -16.102 9.637 1.00 0.00 H ATOM 1198 HG LEU B 112 12.728 -15.136 10.958 1.00 0.00 H ATOM 1199 HD21 LEU B 112 13.429 -13.768 8.333 1.00 0.00 H ATOM 1200 HD22 LEU B 112 12.656 -15.363 8.512 1.00 0.00 H ATOM 1201 HD23 LEU B 112 11.796 -13.893 9.031 1.00 0.00 H ATOM 1202 HD11 LEU B 112 13.836 -13.334 12.073 1.00 0.00 H ATOM 1203 HD12 LEU B 112 14.105 -12.504 10.520 1.00 0.00 H ATOM 1204 HD13 LEU B 112 12.448 -12.744 11.126 1.00 0.00 H ATOM 1205 H LEU B 112 17.158 -15.950 10.252 1.00 0.00 H ATOM 1206 N GLN B 113 14.036 -16.107 13.406 1.00 8.20 N ATOM 1207 CA GLN B 113 13.158 -16.894 14.270 1.00 8.65 C ATOM 1208 C GLN B 113 11.718 -16.492 14.023 1.00 8.14 C ATOM 1209 O GLN B 113 11.399 -15.313 13.906 1.00 9.32 O ATOM 1210 CB GLN B 113 13.534 -16.674 15.740 1.00 10.72 C ATOM 1211 CG GLN B 113 12.879 -17.588 16.820 1.00 15.98 C ATOM 1212 CD GLN B 113 13.548 -17.439 18.208 1.00 18.67 C ATOM 1213 OE1 GLN B 113 13.999 -16.301 18.540 1.00 20.57 O ATOM 1214 NE2 GLN B 113 13.630 -18.442 18.984 1.00 19.69 N ATOM 1215 HA GLN B 113 13.275 -17.953 14.041 1.00 0.00 H ATOM 1216 HB2 GLN B 113 14.613 -16.804 15.819 1.00 0.00 H ATOM 1217 HB3 GLN B 113 13.274 -15.645 15.988 1.00 0.00 H ATOM 1218 HG2 GLN B 113 11.825 -17.324 16.909 1.00 0.00 H ATOM 1219 HG3 GLN B 113 12.966 -18.626 16.499 1.00 0.00 H ATOM 1220 HE22 GLN B 113 13.251 -19.363 18.685 1.00 0.00 H ATOM 1221 HE21 GLN B 113 14.076 -18.342 19.918 1.00 0.00 H ATOM 1222 H GLN B 113 14.242 -15.126 13.684 1.00 0.00 H ATOM 1223 N CYS B 114 10.858 -17.497 13.977 1.00 8.74 N ATOM 1224 CA CYS B 114 9.451 -17.330 13.710 1.00 8.51 C ATOM 1225 C CYS B 114 8.682 -18.284 14.605 1.00 8.81 C ATOM 1226 O CYS B 114 9.125 -19.412 14.827 1.00 9.92 O ATOM 1227 CB CYS B 114 9.187 -17.632 12.229 1.00 9.33 C ATOM 1228 SG CYS B 114 7.488 -17.348 11.657 1.00 9.23 S ATOM 1229 HA CYS B 114 9.129 -16.309 13.916 1.00 0.00 H ATOM 1230 HB2 CYS B 114 9.429 -18.680 12.053 1.00 0.00 H ATOM 1231 HB3 CYS B 114 9.850 -17.002 11.635 1.00 0.00 H ATOM 1232 HG CYS B 114 7.156 -16.022 11.847 1.00 0.00 H ATOM 1233 H CYS B 114 11.216 -18.459 14.142 1.00 0.00 H ATOM 1234 N THR B 115 7.578 -17.812 15.168 1.00 7.95 N ATOM 1235 CA THR B 115 6.791 -18.603 16.098 1.00 8.12 C ATOM 1236 C THR B 115 5.323 -18.187 15.996 1.00 7.23 C ATOM 1237 O THR B 115 4.972 -17.393 15.136 1.00 8.37 O ATOM 1238 CB THR B 115 7.363 -18.509 17.536 1.00 9.83 C ATOM 1239 OG1 THR B 115 6.716 -19.475 18.365 1.00 11.50 O ATOM 1240 CG2 THR B 115 7.171 -17.139 18.143 1.00 10.91 C ATOM 1241 HA THR B 115 6.850 -19.659 15.833 1.00 0.00 H ATOM 1242 HB THR B 115 8.434 -18.701 17.474 1.00 0.00 H ATOM 1243 HG1 THR B 115 6.878 -20.382 18.002 1.00 0.00 H ATOM 1244 HG23 THR B 115 7.662 -16.394 17.517 1.00 0.00 H ATOM 1245 HG21 THR B 115 6.106 -16.917 18.207 1.00 0.00 H ATOM 1246 HG22 THR B 115 7.608 -17.121 19.142 1.00 0.00 H ATOM 1247 H THR B 115 7.266 -16.847 14.937 1.00 0.00 H ATOM 1248 N MET B 116 4.474 -18.740 16.847 1.00 8.37 N ATOM 1249 CA MET B 116 3.066 -18.396 16.809 1.00 8.20 C ATOM 1250 C MET B 116 2.500 -18.384 18.220 1.00 7.99 C ATOM 1251 O MET B 116 3.060 -18.985 19.145 1.00 10.96 O ATOM 1252 CB MET B 116 2.294 -19.379 15.917 1.00 9.46 C ATOM 1253 CG MET B 116 2.501 -20.842 16.318 1.00 13.05 C ATOM 1254 SD MET B 116 1.809 -22.041 15.156 1.00 15.52 S ATOM 1255 CE MET B 116 0.130 -22.079 15.737 1.00 17.24 C ATOM 1256 HA MET B 116 2.956 -17.400 16.381 1.00 0.00 H ATOM 1257 HB2 MET B 116 1.231 -19.148 15.984 1.00 0.00 H ATOM 1258 HB3 MET B 116 2.628 -19.250 14.888 1.00 0.00 H ATOM 1259 HG2 MET B 116 2.032 -20.999 17.289 1.00 0.00 H ATOM 1260 HG3 MET B 116 3.572 -21.025 16.399 1.00 0.00 H ATOM 1261 HE1 MET B 116 0.114 -22.404 16.777 1.00 0.00 H ATOM 1262 HE2 MET B 116 -0.302 -21.081 15.660 1.00 0.00 H ATOM 1263 HE3 MET B 116 -0.448 -22.775 15.129 1.00 0.00 H ATOM 1264 H MET B 116 4.819 -19.426 17.548 1.00 0.00 H ATOM 1265 N GLU B 117 1.399 -17.659 18.384 1.00 8.52 N ATOM 1266 CA GLU B 117 0.695 -17.549 19.648 1.00 9.41 C ATOM 1267 C GLU B 117 -0.779 -17.491 19.356 1.00 9.26 C ATOM 1268 O GLU B 117 -1.185 -17.033 18.314 1.00 9.61 O ATOM 1269 CB GLU B 117 1.059 -16.247 20.379 1.00 11.40 C ATOM 1270 CG GLU B 117 2.427 -16.167 20.954 1.00 14.35 C ATOM 1271 CD GLU B 117 2.703 -14.802 21.592 1.00 16.94 C ATOM 1272 OE1 GLU B 117 1.873 -13.861 21.510 1.00 18.66 O ATOM 1273 OE2 GLU B 117 3.776 -14.660 22.192 1.00 17.18 O ATOM 1274 HA GLU B 117 0.967 -18.402 20.269 1.00 0.00 H ATOM 1275 HB2 GLU B 117 0.950 -15.427 19.669 1.00 0.00 H ATOM 1276 HB3 GLU B 117 0.349 -16.116 21.195 1.00 0.00 H ATOM 1277 HG2 GLU B 117 2.535 -16.940 21.715 1.00 0.00 H ATOM 1278 HG3 GLU B 117 3.153 -16.338 20.159 1.00 0.00 H ATOM 1279 H GLU B 117 1.022 -17.143 17.563 1.00 0.00 H ATOM 1280 N LYS B 118 -1.604 -17.928 20.292 1.00 9.50 N ATOM 1281 CA LYS B 118 -3.040 -17.701 20.182 1.00 10.86 C ATOM 1282 C LYS B 118 -3.298 -16.222 19.963 1.00 10.57 C ATOM 1283 O LYS B 118 -2.695 -15.375 20.615 1.00 12.25 O ATOM 1284 CB LYS B 118 -3.758 -18.156 21.450 1.00 13.87 C ATOM 1285 CG LYS B 118 -3.889 -19.655 21.618 1.00 18.06 C ATOM 1286 CD LYS B 118 -4.690 -19.993 22.868 1.00 21.05 C ATOM 1287 CE LYS B 118 -5.999 -19.220 22.917 1.00 23.39 C ATOM 1288 NZ LYS B 118 -6.780 -19.331 21.654 1.00 25.30 N ATOM 1289 HA LYS B 118 -3.421 -18.278 19.339 1.00 0.00 H ATOM 1290 HB2 LYS B 118 -3.207 -17.768 22.307 1.00 0.00 H ATOM 1291 HB3 LYS B 118 -4.761 -17.729 21.441 1.00 0.00 H ATOM 1292 HG2 LYS B 118 -4.395 -20.069 20.746 1.00 0.00 H ATOM 1293 HG3 LYS B 118 -2.895 -20.093 21.701 1.00 0.00 H ATOM 1294 HD2 LYS B 118 -4.909 -21.061 22.871 1.00 0.00 H ATOM 1295 HD3 LYS B 118 -4.097 -19.742 23.748 1.00 0.00 H ATOM 1296 HE2 LYS B 118 -5.777 -18.168 23.099 1.00 0.00 H ATOM 1297 HE3 LYS B 118 -6.603 -19.609 23.736 1.00 0.00 H ATOM 1298 HZ1 LYS B 118 -6.216 -18.954 20.865 1.00 0.00 H ATOM 1299 HZ2 LYS B 118 -7.006 -20.330 21.474 1.00 0.00 H ATOM 1300 HZ3 LYS B 118 -7.661 -18.786 21.744 1.00 0.00 H ATOM 1301 H LYS B 118 -1.225 -18.439 21.115 1.00 0.00 H ATOM 1302 N ASP B 119 -4.188 -15.903 19.036 1.00 10.63 N ATOM 1303 CA ASP B 119 -4.494 -14.508 18.732 1.00 11.68 C ATOM 1304 C ASP B 119 -5.427 -13.887 19.744 1.00 16.98 C ATOM 1305 O ASP B 119 -5.823 -12.747 19.552 1.00 18.15 O ATOM 1306 CB ASP B 119 -5.061 -14.363 17.326 1.00 11.36 C ATOM 1307 CG ASP B 119 -5.084 -12.923 16.852 1.00 12.80 C ATOM 1308 OD1 ASP B 119 -4.032 -12.248 16.923 1.00 13.34 O ATOM 1309 OD2 ASP B 119 -6.143 -12.461 16.403 1.00 15.56 O ATOM 1310 HA ASP B 119 -3.550 -13.965 18.786 1.00 0.00 H ATOM 1311 OXT ASP B 119 -5.737 -14.477 20.769 1.00 21.26 O ATOM 1312 HB2 ASP B 119 -4.447 -14.947 16.640 1.00 0.00 H ATOM 1313 HB3 ASP B 119 -6.080 -14.750 17.319 1.00 0.00 H ATOM 1314 H ASP B 119 -4.677 -16.659 18.516 1.00 0.00 H TER 1315 ASP B 119 HETATM 1316 O HOH 1 6.190 1.398 -0.405 1.00 35.31 O HETATM 1317 O HOH 2 4.844 4.435 -3.926 1.00 38.39 O HETATM 1318 O HOH 3 19.192 -5.605 15.047 1.00 15.60 O HETATM 1319 O HOH 4 15.125 -13.655 14.472 1.00 9.35 O HETATM 1320 O HOH 5 -1.418 -25.998 5.642 1.00 15.21 O HETATM 1321 O HOH 6 5.300 -18.989 20.660 1.00 17.50 O HETATM 1322 O HOH 7 2.987 -6.258 15.648 1.00 19.94 O HETATM 1323 O HOH 8 -7.484 -22.764 14.787 1.00 21.30 O HETATM 1324 O HOH 9 15.858 -14.398 17.135 1.00 17.29 O HETATM 1325 O HOH 10 -6.498 -25.462 9.823 1.00 13.67 O HETATM 1326 O HOH 11 20.711 -11.564 17.311 1.00 20.51 O HETATM 1327 O HOH 12 9.707 -22.358 2.611 1.00 10.19 O HETATM 1328 O HOH 13 18.925 -5.648 3.538 1.00 23.49 O HETATM 1329 O HOH 14 5.442 -24.785 12.901 1.00 12.81 O HETATM 1330 O HOH 15 13.835 -10.104 19.763 1.00 17.13 O HETATM 1331 O HOH 16 0.164 -8.497 10.162 1.00 13.70 O HETATM 1332 O HOH 17 -1.377 -14.496 4.188 1.00 18.11 O HETATM 1333 O HOH 18 4.902 -17.002 22.390 1.00 20.02 O HETATM 1334 O HOH 19 8.615 -11.741 -1.914 1.00 15.89 O HETATM 1335 O HOH 20 13.732 -20.632 -2.089 1.00 28.53 O HETATM 1336 O HOH 21 18.669 -13.400 1.537 1.00 15.98 O HETATM 1337 O HOH 22 11.848 -18.834 -0.172 1.00 14.58 O HETATM 1338 O HOH 23 13.206 -7.140 -0.255 1.00 15.84 O HETATM 1339 O HOH 24 -6.180 -19.764 7.892 1.00 16.39 O HETATM 1340 O HOH 25 15.186 2.365 14.165 1.00 13.30 O HETATM 1341 O HOH 26 24.081 -15.170 5.453 1.00 20.90 O HETATM 1342 O HOH 27 -0.890 -11.596 6.690 1.00 13.90 O HETATM 1343 O HOH 28 8.468 -14.033 -3.596 1.00 21.13 O HETATM 1344 O HOH 29 -2.978 -9.954 15.732 1.00 18.66 O HETATM 1345 O HOH 30 22.095 -13.875 8.197 1.00 15.56 O HETATM 1346 O HOH 31 -3.266 -12.717 7.990 1.00 14.98 O HETATM 1347 O HOH 32 11.356 -26.310 0.892 1.00 14.08 O HETATM 1348 O HOH 33 14.338 -0.989 21.390 1.00 39.59 O HETATM 1349 O HOH 34 9.487 -9.825 -3.286 1.00 32.43 O HETATM 1350 O HOH 35 2.842 -9.862 -1.174 1.00 11.02 O HETATM 1351 O HOH 36 11.514 -4.811 23.044 1.00 15.82 O HETATM 1352 O HOH 37 -0.026 -17.503 23.658 1.00 31.55 O HETATM 1353 O HOH 38 -0.643 -5.782 3.092 1.00 16.27 O HETATM 1354 O HOH 39 21.088 -19.608 10.196 1.00 32.39 O HETATM 1355 O HOH 40 -6.978 -10.432 18.118 1.00 20.60 O HETATM 1356 O HOH 41 0.877 -23.187 1.899 1.00 18.10 O HETATM 1357 O HOH 42 23.227 -18.096 9.653 1.00 45.06 O HETATM 1358 O HOH 43 12.400 -20.101 14.947 1.00 19.66 O HETATM 1359 O HOH 44 -2.225 -15.577 23.566 1.00 17.68 O HETATM 1360 O HOH 45 15.692 -6.907 19.551 1.00 25.70 O HETATM 1361 O HOH 46 1.804 -20.635 2.728 1.00 15.90 O HETATM 1362 O HOH 47 1.785 -14.621 0.386 1.00 13.63 O HETATM 1363 O HOH 48 11.716 -0.563 21.632 1.00 19.18 O HETATM 1364 O HOH 49 2.857 -21.038 21.156 1.00 31.75 O HETATM 1365 O HOH 50 4.423 -6.646 -2.081 1.00 15.95 O HETATM 1366 O HOH 51 13.496 -16.717 -4.183 1.00 14.74 O HETATM 1367 O HOH 52 -1.485 -23.919 3.656 1.00 19.74 O HETATM 1368 O HOH 53 23.953 -15.267 9.389 1.00 28.47 O HETATM 1369 O HOH 54 13.903 1.212 18.618 1.00 31.50 O HETATM 1370 O HOH 55 21.165 -21.853 7.770 1.00 30.91 O HETATM 1371 O HOH 56 15.995 0.442 16.581 1.00 35.36 O HETATM 1372 O HOH 57 14.570 -4.114 19.106 1.00 21.55 O HETATM 1373 O HOH 58 11.098 -8.080 -1.662 1.00 25.75 O HETATM 1374 O HOH 59 -0.488 -5.508 7.426 1.00 30.55 O HETATM 1375 O HOH 60 -9.168 -12.854 19.205 1.00 40.68 O HETATM 1376 O HOH 61 11.782 2.716 17.732 1.00 23.20 O HETATM 1377 O HOH 62 6.586 -19.681 -1.568 1.00 37.82 O HETATM 1378 O HOH 63 25.355 -8.136 17.468 1.00 41.59 O HETATM 1379 O HOH 64 4.309 -18.693 -0.938 1.00 43.54 O HETATM 1380 O HOH 65 2.390 -19.833 0.331 1.00 41.38 O HETATM 1381 O HOH 66 -7.611 -22.429 7.338 1.00 24.69 O HETATM 1382 O HOH 67 17.781 -1.235 -0.621 1.00 38.11 O HETATM 1383 O HOH 68 8.940 -22.114 15.566 1.00 13.98 O HETATM 1384 O HOH 69 -0.283 -15.817 1.924 1.00 19.99 O HETATM 1385 O HOH 70 11.785 -22.358 15.739 1.00 13.55 O HETATM 1386 O HOH 71 20.040 0.204 0.843 1.00 27.97 O HETATM 1387 O HOH 72 15.704 -15.711 20.893 1.00 34.67 O HETATM 1388 O HOH 73 4.580 -0.916 11.752 1.00 32.66 O HETATM 1389 O HOH 74 3.555 -12.713 -2.952 1.00 29.61 O HETATM 1390 O HOH 75 -0.391 -19.600 22.543 1.00 24.15 O HETATM 1391 O HOH 76 1.589 -6.321 12.205 1.00 28.02 O HETATM 1392 O HOH 77 -9.037 -15.944 17.697 1.00 22.39 O HETATM 1393 O HOH 78 25.903 -9.579 12.793 1.00 36.10 O HETATM 1394 O HOH 79 5.562 -14.090 -4.212 1.00 23.22 O HETATM 1395 O HOH 80 -3.036 -2.648 6.487 1.00 41.66 O HETATM 1396 O HOH 81 5.473 -12.014 -6.442 1.00 29.14 O HETATM 1397 O HOH 82 -3.879 -12.228 3.411 1.00 28.25 O HETATM 1398 O HOH 83 3.880 -5.740 13.627 1.00 32.23 O HETATM 1399 O HOH 84 2.182 -3.104 8.240 1.00 16.51 O HETATM 1400 O HOH 85 3.474 -3.530 12.526 1.00 25.74 O HETATM 1401 O HOH 86 0.767 1.376 9.160 1.00 29.54 O HETATM 1402 O HOH 87 -2.045 -20.936 24.284 1.00 35.94 O HETATM 1403 O HOH 88 -8.026 -25.234 16.302 1.00 24.36 O HETATM 1404 O HOH 89 19.913 -15.522 0.686 1.00 13.01 O HETATM 1405 O HOH 90 -1.751 -9.813 4.093 1.00 17.46 O HETATM 1406 O HOH 91 -0.446 0.376 3.376 1.00 30.49 O HETATM 1407 O HOH 92 -7.923 -25.317 13.584 1.00 18.42 O HETATM 1408 O HOH 93 8.445 -17.122 -6.601 1.00 36.07 O HETATM 1409 O HOH 94 17.083 -3.656 16.339 1.00 27.66 O HETATM 1410 O HOH 95 17.610 -19.005 15.070 1.00 15.80 O HETATM 1411 O HOH 96 16.402 -10.739 19.407 1.00 20.78 O HETATM 1412 O HOH 97 7.907 -10.766 -8.179 1.00 29.84 O HETATM 1413 O HOH 98 5.960 -13.002 -9.085 1.00 28.65 O HETATM 1414 O HOH 99 -4.831 -25.442 18.927 1.00 38.15 O HETATM 1415 O HOH 100 0.907 -5.984 17.164 1.00 46.29 O HETATM 1416 O HOH 101 0.796 -24.321 20.468 1.00 30.23 O HETATM 1417 O HOH 102 19.524 -2.904 16.025 1.00 36.13 O HETATM 1418 O HOH 103 -11.601 -17.893 19.316 1.00 40.77 O HETATM 1419 O HOH 104 -3.897 -27.318 20.356 1.00 35.53 O HETATM 1420 O HOH 105 -6.466 -16.502 7.742 1.00 36.78 O HETATM 1421 O HOH 106 4.291 -26.641 14.634 1.00 17.30 O HETATM 1422 O HOH 107 4.942 0.338 14.013 1.00 27.63 O HETATM 1423 O HOH 108 -10.582 -23.717 17.289 1.00 23.09 O HETATM 1424 O HOH 109 -2.146 -18.672 2.773 1.00 22.92 O HETATM 1425 O HOH 110 5.873 -28.316 15.966 1.00 18.34 O HETATM 1426 O HOH 111 -5.134 -16.059 4.733 1.00 33.94 O HETATM 1427 O HOH 112 -6.553 -12.627 6.038 1.00 37.26 O HETATM 1428 O HOH 113 4.212 3.472 -0.173 1.00 35.78 O HETATM 1429 O HOH 114 10.540 -21.315 0.154 1.00 17.31 O HETATM 1430 O HOH 115 15.157 -7.263 -1.886 1.00 32.63 O HETATM 1431 O HOH 116 13.949 -17.833 -2.247 1.00 30.56 O HETATM 1432 O HOH 117 8.819 -25.579 5.072 1.00 29.14 O HETATM 1433 O HOH 118 17.729 1.590 13.789 1.00 33.55 O HETATM 1434 O HOH 119 24.389 -11.583 8.443 1.00 33.16 O HETATM 1435 O HOH 120 19.477 0.020 14.760 1.00 40.74 O HETATM 1436 O HOH 121 5.832 -22.039 16.854 1.00 30.64 O HETATM 1437 O HOH 122 -1.800 -23.636 21.511 1.00 29.89 O HETATM 1438 O HOH 123 -11.357 -22.145 21.914 1.00 37.02 O HETATM 1439 O HOH 124 -6.429 -13.574 3.253 1.00 38.56 O HETATM 1440 O HOH 125 9.910 -23.265 -2.458 1.00 44.65 O HETATM 1441 O HOH 126 20.956 2.311 14.606 1.00 34.95 O HETATM 1442 O HOH 127 26.294 -14.062 9.846 1.00 25.42 O HETATM 1443 O HOH 128 12.514 -23.633 -3.209 1.00 30.99 O HETATM 1444 O HOH 129 -2.603 -15.338 0.200 1.00 21.25 O HETATM 1445 O HOH 130 -3.239 -8.744 13.372 1.00 20.62 O HETATM 1446 O HOH 131 -7.008 -22.480 21.114 1.00 41.72 O HETATM 1447 O HOH 132 -2.746 -1.786 3.895 1.00 40.14 O HETATM 1448 O HOH 133 0.627 -1.055 7.912 1.00 41.52 O HETATM 1449 O HOH 134 7.772 -8.218 -4.632 1.00 21.62 O HETATM 1450 O HOH 135 2.071 -2.221 10.705 1.00 36.79 O HETATM 1451 O HOH 136 -6.962 -9.775 15.586 1.00 47.21 O HETATM 1452 O HOH 137 -5.086 -14.529 7.086 1.00 26.56 O HETATM 1453 O HOH 138 0.519 -4.791 10.264 1.00 38.83 O HETATM 1454 O HOH 139 17.555 -8.512 18.685 1.00 41.75 O HETATM 1455 O HOH 140 -2.194 -9.698 11.091 1.00 21.10 O HETATM 1456 O HOH 141 18.881 -10.843 19.153 1.00 32.83 O HETATM 1457 O HOH 142 -3.290 1.128 3.648 1.00 40.50 O HETATM 1458 O HOH 143 -5.532 -0.662 2.511 1.00 39.94 O HETATM 1459 O HOH 144 21.308 -2.807 12.497 1.00 32.89 O HETATM 1460 N TYR A 145 17.491 -6.082 12.819 1.00 0.24 N HETATM 1461 CA TYR A 145 17.917 -6.682 11.535 1.00 0.07 C HETATM 1462 C TYR A 145 19.064 -5.879 10.958 1.00 0.23 C HETATM 1463 O TYR A 145 19.323 -4.768 11.398 1.00 -0.39 O HETATM 1464 N TYR A 145 19.753 -6.451 9.977 1.00 -0.26 N HETATM 1465 CA TYR A 145 20.914 -5.814 9.356 1.00 0.13 C HETATM 1466 C TYR A 145 20.555 -4.910 8.210 1.00 0.20 C HETATM 1467 O TYR A 145 19.718 -5.233 7.386 1.00 -0.39 O HETATM 1468 N TYR A 145 21.254 -3.783 8.157 1.00 -0.27 N HETATM 1469 CA TYR A 145 21.151 -2.814 7.064 1.00 0.09 C HETATM 1470 C TYR A 145 19.898 -1.951 7.163 1.00 0.06 C HETATM 1471 O TYR A 145 19.555 -1.437 8.261 1.00 -0.57 O HETATM 1472 O25 TYR A 145 19.197 -1.750 6.135 1.00 -0.57 O HETATM 1473 CB TYR A 145 21.213 -3.514 5.714 1.00 -0.03 C HETATM 1474 H25 TYR A 145 21.134 -2.768 4.910 1.00 0.03 H HETATM 1475 H26 TYR A 145 20.381 -4.229 5.633 1.00 0.03 H HETATM 1476 H27 TYR A 145 22.169 -4.051 5.623 1.00 0.03 H HETATM 1477 H24 TYR A 145 22.020 -2.143 7.136 1.00 0.07 H HETATM 1478 H23 TYR A 145 21.887 -3.584 8.906 1.00 0.19 H HETATM 1479 CB TYR A 145 21.873 -6.866 8.819 1.00 -0.01 C HETATM 1480 CG TYR A 145 22.898 -7.231 9.864 1.00 -0.04 C HETATM 1481 CD1 TYR A 145 22.144 -7.582 11.076 1.00 -0.06 C HETATM 1482 H17 TYR A 145 22.845 -7.859 11.877 1.00 0.02 H HETATM 1483 H18 TYR A 145 21.479 -8.432 10.861 1.00 0.02 H HETATM 1484 H19 TYR A 145 21.543 -6.718 11.397 1.00 0.02 H HETATM 1485 CD2 TYR A 145 23.845 -8.353 9.406 1.00 -0.06 C HETATM 1486 H20 TYR A 145 24.380 -8.034 8.499 1.00 0.02 H HETATM 1487 H21 TYR A 145 23.261 -9.259 9.188 1.00 0.02 H HETATM 1488 H22 TYR A 145 24.572 -8.568 10.203 1.00 0.02 H HETATM 1489 H16 TYR A 145 23.515 -6.346 10.077 1.00 0.03 H HETATM 1490 H14 TYR A 145 22.387 -6.468 7.932 1.00 0.03 H HETATM 1491 H15 TYR A 145 21.304 -7.765 8.540 1.00 0.03 H HETATM 1492 H13 TYR A 145 21.426 -5.218 10.126 1.00 0.08 H HETATM 1493 H12 TYR A 145 19.467 -7.352 9.650 1.00 0.19 H HETATM 1494 CB TYR A 145 16.751 -6.718 10.566 1.00 0.04 C HETATM 1495 CG TYR A 145 15.627 -7.622 11.020 1.00 -0.05 C HETATM 1496 CD1 TYR A 145 14.315 -7.161 11.052 1.00 -0.07 C HETATM 1497 CE1 TYR A 145 13.279 -7.988 11.445 1.00 -0.04 C HETATM 1498 CZ TYR A 145 13.551 -9.274 11.853 1.00 0.08 C HETATM 1499 CE2 TYR A 145 14.849 -9.754 11.841 1.00 -0.04 C HETATM 1500 CD2 TYR A 145 15.880 -8.917 11.435 1.00 -0.07 C HETATM 1501 H8 TYR A 145 16.900 -9.284 11.443 1.00 0.05 H HETATM 1502 H10 TYR A 145 15.059 -10.773 12.145 1.00 0.05 H HETATM 1503 OH TYR A 145 12.499 -10.092 12.212 1.00 -0.34 O HETATM 1504 H11 TYR A 145 12.630 -10.404 13.100 1.00 0.25 H HETATM 1505 H9 TYR A 145 12.258 -7.625 11.432 1.00 0.05 H HETATM 1506 H7 TYR A 145 14.102 -6.138 10.764 1.00 0.05 H HETATM 1507 H5 TYR A 145 17.116 -7.077 9.592 1.00 0.05 H HETATM 1508 H6 TYR A 145 16.356 -5.697 10.456 1.00 0.05 H HETATM 1509 H4 TYR A 145 18.259 -7.712 11.716 1.00 0.11 H HETATM 1510 H1 TYR A 145 16.727 -6.617 13.203 1.00 0.20 H HETATM 1511 H2 TYR A 145 17.191 -5.132 12.663 1.00 0.20 H HETATM 1512 H3 TYR A 145 18.264 -6.088 13.466 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1460 1461 1510 1511 1512 CONECT 1461 1460 1462 1494 1509 CONECT 1462 1461 1463 1464 CONECT 1463 1462 CONECT 1464 1462 1465 1493 CONECT 1465 1464 1466 1479 1492 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1466 1469 1478 CONECT 1469 1468 1470 1473 1477 CONECT 1470 1469 1471 1472 CONECT 1471 1470 CONECT 1472 1470 CONECT 1473 1469 1474 1475 1476 CONECT 1474 1473 CONECT 1475 1473 CONECT 1476 1473 CONECT 1477 1469 CONECT 1478 1468 CONECT 1479 1465 1480 1490 1491 CONECT 1480 1479 1481 1485 1489 CONECT 1481 1480 1482 1483 1484 CONECT 1482 1481 CONECT 1483 1481 CONECT 1484 1481 CONECT 1485 1480 1486 1487 1488 CONECT 1486 1485 CONECT 1487 1485 CONECT 1488 1485 CONECT 1489 1480 CONECT 1490 1479 CONECT 1491 1479 CONECT 1492 1465 CONECT 1493 1464 CONECT 1494 1461 1495 1507 1508 CONECT 1495 1494 1496 1500 CONECT 1496 1495 1497 1506 CONECT 1497 1496 1498 1505 CONECT 1498 1497 1499 1503 CONECT 1499 1498 1500 1502 CONECT 1500 1495 1499 1501 CONECT 1501 1500 CONECT 1502 1499 CONECT 1503 1498 1504 CONECT 1504 1503 CONECT 1505 1497 CONECT 1506 1496 CONECT 1507 1494 CONECT 1508 1494 CONECT 1509 1461 CONECT 1510 1460 CONECT 1511 1460 CONECT 1512 1460 MASTER 0 0 0 0 0 0 0 0 1511 1 57 7 END
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PDB Code
Check Database
Protein Sequence Similarity
3g19
RCSB PDB
PDBbind
85aa, >3G19_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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PDBbind
10-mer
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10-mer
2jmj
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2ke1
RCSB PDB
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PDBbind
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PDBbind
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2peh
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RCSB PDB
PDBbind
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PDBbind
10-mer
2qqs
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2r7g
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3al3
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PDBbind
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PDBbind
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PDBbind
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3er5
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3f9w
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10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
3dnj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Caulobacter crescentus ClpS protease adaptor protein
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.15(Å)
Affinity (Kd/Ki/IC50)
Kd=150nM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Mol.Cell Vol. 32: pp. 406-414
Ligand Properties
Formula
C
1
8
H
2
8
N
3
O
5
Molecular Weight
366.432
Exact Mass
366.203
No. of atoms
54
No. of bonds
54
Polar Surface Area
143.37
LOGP Value
-0.07 (
Computed with XLOGP3
)
0.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@H](Cc1ccc(cc1)O)[NH3+])C
InChI String
InChI=1S/C18H27N3O5/c1-10(2)8-15(17(24)20-11(3)18(25)26)21-16(23)14(19)9-12-4-6-13(22)7-5-12/h4-7,10-11,14-15,22H,8-9,19H2,1-3H3,(H,20,24)(H,21,23)(H,25,26)/p+1/t11-,14-,15-/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):
Q9A5I0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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