Browse entries in the PDBbind-CN Database
HEADER 3QO2_COMPLEX COMPND 3QO2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 61 MET GLY GLU ASP VAL PHE GLU VAL GLU LYS ILE LEU ASP SEQRES 2 A 61 MET LYS THR GLU GLY GLY LYS VAL LEU TYR LYS VAL ARG SEQRES 3 A 61 TRP LYS GLY TYR THR SER ASP ASP ASP THR TRP GLU PRO SEQRES 4 A 61 GLU ILE HIS LEU GLU ASP CYS LYS GLU VAL LEU LEU GLU SEQRES 5 A 61 PHE ARG LYS LYS ILE ALA GLU ASN LYS HET ALA A 88 226 ATOM 1 N MET A -1 36.823 13.419 -19.888 1.00 58.98 N ATOM 2 CA MET A -1 37.366 12.339 -19.071 1.00 53.50 C ATOM 3 C MET A -1 37.972 11.190 -19.882 1.00 58.06 C ATOM 4 O MET A -1 39.193 11.012 -19.901 1.00 60.20 O ATOM 5 CB MET A -1 36.303 11.807 -18.128 1.00 40.66 C ATOM 6 CG MET A -1 36.339 12.450 -16.757 1.00 39.43 C ATOM 7 SD MET A -1 35.036 11.737 -15.729 1.00 60.91 S ATOM 8 CE MET A -1 35.730 12.028 -14.109 1.00 47.04 C ATOM 9 HA MET A -1 38.187 12.777 -18.503 1.00 0.00 H ATOM 10 HB2 MET A -1 35.324 11.991 -18.571 1.00 0.00 H ATOM 11 HB3 MET A -1 36.451 10.733 -18.010 1.00 0.00 H ATOM 12 HG2 MET A -1 36.180 13.524 -16.854 1.00 0.00 H ATOM 13 HG3 MET A -1 37.309 12.268 -16.294 1.00 0.00 H ATOM 14 HE1 MET A -1 36.689 11.516 -14.029 1.00 0.00 H ATOM 15 HE2 MET A -1 35.875 13.099 -13.964 1.00 0.00 H ATOM 16 HE3 MET A -1 35.048 11.646 -13.349 1.00 0.00 H ATOM 17 HN3 MET A -1 36.071 13.044 -20.500 1.00 0.00 H ATOM 18 HN2 MET A -1 37.581 13.823 -20.475 1.00 0.00 H ATOM 19 HN1 MET A -1 36.432 14.157 -19.269 1.00 0.00 H ATOM 20 N GLY A 55 37.133 10.393 -20.533 1.00 57.56 N ATOM 21 CA GLY A 55 37.655 9.332 -21.380 1.00 63.93 C ATOM 22 C GLY A 55 37.170 7.927 -21.076 1.00 59.14 C ATOM 23 O GLY A 55 36.333 7.721 -20.191 1.00 54.95 O ATOM 24 HA3 GLY A 55 38.741 9.336 -21.286 1.00 0.00 H ATOM 25 HA2 GLY A 55 37.380 9.563 -22.409 1.00 0.00 H ATOM 26 H GLY A 55 36.106 10.527 -20.438 1.00 0.00 H ATOM 27 N GLU A 56 37.706 6.957 -21.815 1.00 51.57 N ATOM 28 CA GLU A 56 37.230 5.578 -21.736 1.00 62.61 C ATOM 29 C GLU A 56 37.345 4.966 -20.320 1.00 66.98 C ATOM 30 O GLU A 56 38.433 4.541 -19.897 1.00 63.22 O ATOM 31 CB GLU A 56 37.945 4.706 -22.784 1.00 56.82 C ATOM 32 HA GLU A 56 36.163 5.600 -21.959 1.00 0.00 H ATOM 33 HB2 GLU A 56 37.741 5.097 -23.781 1.00 0.00 H ATOM 34 HB3 GLU A 56 39.019 4.724 -22.598 1.00 0.00 H ATOM 35 H GLU A 56 38.484 7.187 -22.466 1.00 0.00 H ATOM 36 N ASP A 57 36.218 4.931 -19.599 1.00 53.12 N ATOM 37 CA ASP A 57 36.154 4.348 -18.251 1.00 40.24 C ATOM 38 C ASP A 57 36.948 5.092 -17.175 1.00 37.26 C ATOM 39 O ASP A 57 37.375 4.490 -16.191 1.00 32.78 O ATOM 40 CB ASP A 57 36.593 2.894 -18.272 1.00 38.33 C ATOM 41 CG ASP A 57 35.655 2.029 -19.051 1.00 59.52 C ATOM 42 OD1 ASP A 57 34.779 1.395 -18.421 1.00 63.42 O ATOM 43 OD2 ASP A 57 35.785 1.998 -20.295 1.00 70.15 O ATOM 44 HA ASP A 57 35.105 4.440 -17.970 1.00 0.00 H ATOM 45 HB2 ASP A 57 37.583 2.833 -18.723 1.00 0.00 H ATOM 46 HB3 ASP A 57 36.639 2.527 -17.247 1.00 0.00 H ATOM 47 H ASP A 57 35.351 5.333 -20.010 1.00 0.00 H ATOM 48 N VAL A 58 37.138 6.393 -17.360 1.00 29.91 N ATOM 49 CA VAL A 58 37.738 7.234 -16.338 1.00 31.00 C ATOM 50 C VAL A 58 36.663 7.912 -15.476 1.00 32.77 C ATOM 51 O VAL A 58 35.713 8.496 -15.993 1.00 32.83 O ATOM 52 CB VAL A 58 38.645 8.308 -16.968 1.00 33.02 C ATOM 53 CG1 VAL A 58 39.174 9.256 -15.903 1.00 27.11 C ATOM 54 CG2 VAL A 58 39.783 7.649 -17.734 1.00 26.23 C ATOM 55 HA VAL A 58 38.343 6.588 -15.702 1.00 0.00 H ATOM 56 HB VAL A 58 38.056 8.897 -17.672 1.00 0.00 H ATOM 57 HG11 VAL A 58 38.337 9.747 -15.407 1.00 0.00 H ATOM 58 HG12 VAL A 58 39.751 8.692 -15.170 1.00 0.00 H ATOM 59 HG13 VAL A 58 39.812 10.006 -16.371 1.00 0.00 H ATOM 60 HG21 VAL A 58 40.373 7.038 -17.051 1.00 0.00 H ATOM 61 HG22 VAL A 58 39.372 7.020 -18.523 1.00 0.00 H ATOM 62 HG23 VAL A 58 40.417 8.419 -18.174 1.00 0.00 H ATOM 63 H VAL A 58 36.849 6.822 -18.262 1.00 0.00 H ATOM 64 N PHE A 59 36.821 7.825 -14.158 1.00 31.16 N ATOM 65 CA PHE A 59 35.886 8.433 -13.221 1.00 19.99 C ATOM 66 C PHE A 59 36.635 9.239 -12.176 1.00 21.65 C ATOM 67 O PHE A 59 37.825 9.055 -11.978 1.00 23.60 O ATOM 68 CB PHE A 59 35.039 7.363 -12.535 1.00 18.98 C ATOM 69 CG PHE A 59 34.189 6.554 -13.487 1.00 25.79 C ATOM 70 CD1 PHE A 59 34.725 5.477 -14.179 1.00 23.97 C ATOM 71 CD2 PHE A 59 32.851 6.868 -13.688 1.00 26.38 C ATOM 72 CE1 PHE A 59 33.935 4.730 -15.053 1.00 23.46 C ATOM 73 CE2 PHE A 59 32.065 6.122 -14.551 1.00 22.31 C ATOM 74 CZ PHE A 59 32.609 5.052 -15.235 1.00 22.05 C ATOM 75 HA PHE A 59 35.228 9.098 -13.781 1.00 0.00 H ATOM 76 HB2 PHE A 59 35.707 6.682 -12.007 1.00 0.00 H ATOM 77 HB3 PHE A 59 34.381 7.853 -11.818 1.00 0.00 H ATOM 78 HD2 PHE A 59 32.413 7.714 -13.159 1.00 0.00 H ATOM 79 HE2 PHE A 59 31.015 6.380 -14.691 1.00 0.00 H ATOM 80 HZ PHE A 59 31.991 4.466 -15.915 1.00 0.00 H ATOM 81 HE1 PHE A 59 34.369 3.889 -15.593 1.00 0.00 H ATOM 82 HD1 PHE A 59 35.773 5.212 -14.038 1.00 0.00 H ATOM 83 H PHE A 59 37.640 7.305 -13.784 1.00 0.00 H ATOM 84 N GLU A 60 35.936 10.142 -11.505 1.00 23.98 N ATOM 85 CA GLU A 60 36.547 10.889 -10.432 1.00 20.30 C ATOM 86 C GLU A 60 36.739 10.022 -9.180 1.00 20.74 C ATOM 87 O GLU A 60 35.850 9.284 -8.773 1.00 24.60 O ATOM 88 CB GLU A 60 35.715 12.120 -10.107 1.00 18.82 C ATOM 89 CG GLU A 60 36.175 12.838 -8.851 1.00 20.94 C ATOM 90 CD GLU A 60 35.442 14.148 -8.644 1.00 28.80 C ATOM 91 OE1 GLU A 60 34.615 14.510 -9.504 1.00 24.11 O ATOM 92 OE2 GLU A 60 35.689 14.815 -7.618 1.00 38.84 O ATOM 93 HA GLU A 60 37.534 11.208 -10.766 1.00 0.00 H ATOM 94 HB2 GLU A 60 35.779 12.813 -10.946 1.00 0.00 H ATOM 95 HB3 GLU A 60 34.678 11.812 -9.970 1.00 0.00 H ATOM 96 HG2 GLU A 60 35.994 12.194 -7.991 1.00 0.00 H ATOM 97 HG3 GLU A 60 37.243 13.041 -8.933 1.00 0.00 H ATOM 98 H GLU A 60 34.941 10.314 -11.753 1.00 0.00 H ATOM 99 N VAL A 61 37.903 10.133 -8.568 1.00 19.18 N ATOM 100 CA VAL A 61 38.212 9.394 -7.358 1.00 21.22 C ATOM 101 C VAL A 61 37.827 10.201 -6.130 1.00 20.17 C ATOM 102 O VAL A 61 37.992 11.413 -6.109 1.00 31.75 O ATOM 103 CB VAL A 61 39.730 9.077 -7.301 1.00 19.97 C ATOM 104 CG1 VAL A 61 40.106 8.436 -5.971 1.00 23.91 C ATOM 105 CG2 VAL A 61 40.118 8.171 -8.460 1.00 20.96 C ATOM 106 HA VAL A 61 37.643 8.464 -7.371 1.00 0.00 H ATOM 107 HB VAL A 61 40.280 10.014 -7.387 1.00 0.00 H ATOM 108 HG11 VAL A 61 39.861 9.119 -5.158 1.00 0.00 H ATOM 109 HG12 VAL A 61 39.550 7.507 -5.847 1.00 0.00 H ATOM 110 HG13 VAL A 61 41.175 8.225 -5.960 1.00 0.00 H ATOM 111 HG21 VAL A 61 39.555 7.240 -8.396 1.00 0.00 H ATOM 112 HG22 VAL A 61 39.891 8.671 -9.402 1.00 0.00 H ATOM 113 HG23 VAL A 61 41.185 7.955 -8.409 1.00 0.00 H ATOM 114 H VAL A 61 38.622 10.771 -8.966 1.00 0.00 H ATOM 115 N GLU A 62 37.316 9.551 -5.099 1.00 18.71 N ATOM 116 CA GLU A 62 37.129 10.262 -3.832 1.00 22.40 C ATOM 117 C GLU A 62 38.371 10.244 -2.934 1.00 20.02 C ATOM 118 O GLU A 62 38.867 11.290 -2.548 1.00 21.81 O ATOM 119 CB GLU A 62 35.950 9.717 -3.046 1.00 23.21 C ATOM 120 CG GLU A 62 35.601 10.623 -1.887 1.00 25.47 C ATOM 121 CD GLU A 62 34.657 9.970 -0.936 1.00 38.00 C ATOM 122 OE1 GLU A 62 33.743 9.250 -1.410 1.00 46.36 O ATOM 123 OE2 GLU A 62 34.843 10.155 0.287 1.00 46.88 O ATOM 124 HA GLU A 62 36.934 11.295 -4.120 1.00 0.00 H ATOM 125 HB2 GLU A 62 35.087 9.637 -3.708 1.00 0.00 H ATOM 126 HB3 GLU A 62 36.204 8.729 -2.662 1.00 0.00 H ATOM 127 HG2 GLU A 62 36.516 10.882 -1.354 1.00 0.00 H ATOM 128 HG3 GLU A 62 35.139 11.531 -2.275 1.00 0.00 H ATOM 129 H GLU A 62 37.050 8.549 -5.186 1.00 0.00 H ATOM 130 N LYS A 63 38.847 9.051 -2.582 1.00 20.83 N ATOM 131 CA LYS A 63 40.073 8.892 -1.799 1.00 21.19 C ATOM 132 C LYS A 63 40.714 7.567 -2.133 1.00 22.47 C ATOM 133 O LYS A 63 40.077 6.708 -2.741 1.00 21.90 O ATOM 134 CB LYS A 63 39.786 8.945 -0.294 1.00 16.65 C ATOM 135 CG LYS A 63 38.623 8.104 0.128 1.00 15.05 C ATOM 136 CD LYS A 63 38.278 8.355 1.556 1.00 21.59 C ATOM 137 CE LYS A 63 37.018 7.610 1.957 1.00 24.54 C ATOM 138 NZ LYS A 63 36.722 7.819 3.408 1.00 28.82 N ATOM 139 HA LYS A 63 40.744 9.713 -2.051 1.00 0.00 H ATOM 140 HB2 LYS A 63 40.672 8.598 0.238 1.00 0.00 H ATOM 141 HB3 LYS A 63 39.580 9.980 -0.019 1.00 0.00 H ATOM 142 HG2 LYS A 63 37.762 8.345 -0.496 1.00 0.00 H ATOM 143 HG3 LYS A 63 38.878 7.052 0.001 1.00 0.00 H ATOM 144 HD2 LYS A 63 39.103 8.022 2.185 1.00 0.00 H ATOM 145 HD3 LYS A 63 38.121 9.424 1.701 1.00 0.00 H ATOM 146 HE2 LYS A 63 37.156 6.545 1.769 1.00 0.00 H ATOM 147 HE3 LYS A 63 36.180 7.977 1.364 1.00 0.00 H ATOM 148 HZ1 LYS A 63 37.518 7.467 3.977 1.00 0.00 H ATOM 149 HZ2 LYS A 63 36.586 8.834 3.590 1.00 0.00 H ATOM 150 HZ3 LYS A 63 35.857 7.301 3.662 1.00 0.00 H ATOM 151 H LYS A 63 38.327 8.199 -2.875 1.00 0.00 H ATOM 152 N ILE A 64 41.973 7.401 -1.736 1.00 21.79 N ATOM 153 CA ILE A 64 42.616 6.099 -1.790 1.00 18.43 C ATOM 154 C ILE A 64 42.548 5.462 -0.409 1.00 20.05 C ATOM 155 O ILE A 64 42.972 6.061 0.577 1.00 24.60 O ATOM 156 CB ILE A 64 44.081 6.201 -2.234 1.00 24.89 C ATOM 157 CG1 ILE A 64 44.192 6.907 -3.590 1.00 26.39 C ATOM 158 CG2 ILE A 64 44.717 4.816 -2.301 1.00 17.31 C ATOM 159 CD1 ILE A 64 43.473 6.200 -4.704 1.00 17.51 C ATOM 160 HA ILE A 64 42.091 5.489 -2.525 1.00 0.00 H ATOM 161 HB ILE A 64 44.619 6.795 -1.495 1.00 0.00 H ATOM 162 HG12 ILE A 64 43.773 7.908 -3.491 1.00 0.00 H ATOM 163 HG13 ILE A 64 45.247 6.980 -3.854 1.00 0.00 H ATOM 164 HD11 ILE A 64 43.888 5.199 -4.825 1.00 0.00 H ATOM 165 HD12 ILE A 64 42.413 6.128 -4.462 1.00 0.00 H ATOM 166 HD13 ILE A 64 43.599 6.761 -5.630 1.00 0.00 H ATOM 167 HG21 ILE A 64 44.677 4.351 -1.316 1.00 0.00 H ATOM 168 HG22 ILE A 64 44.171 4.201 -3.017 1.00 0.00 H ATOM 169 HG23 ILE A 64 45.756 4.910 -2.618 1.00 0.00 H ATOM 170 H ILE A 64 42.507 8.219 -1.380 1.00 0.00 H ATOM 171 N LEU A 65 42.032 4.239 -0.347 1.00 18.90 N ATOM 172 CA LEU A 65 41.757 3.562 0.921 1.00 20.14 C ATOM 173 C LEU A 65 42.886 2.655 1.441 1.00 19.76 C ATOM 174 O LEU A 65 43.042 2.471 2.647 1.00 25.13 O ATOM 175 CB LEU A 65 40.478 2.730 0.803 1.00 16.24 C ATOM 176 CG LEU A 65 39.230 3.388 0.219 1.00 22.06 C ATOM 177 CD1 LEU A 65 38.483 2.432 -0.721 1.00 17.22 C ATOM 178 CD2 LEU A 65 38.340 3.886 1.324 1.00 17.53 C ATOM 179 HA LEU A 65 41.654 4.367 1.648 1.00 0.00 H ATOM 180 HB2 LEU A 65 40.711 1.869 0.176 1.00 0.00 H ATOM 181 HB3 LEU A 65 40.222 2.389 1.806 1.00 0.00 H ATOM 182 HG LEU A 65 39.540 4.245 -0.380 1.00 0.00 H ATOM 183 HD21 LEU A 65 38.041 3.048 1.953 1.00 0.00 H ATOM 184 HD22 LEU A 65 38.882 4.617 1.924 1.00 0.00 H ATOM 185 HD23 LEU A 65 37.454 4.353 0.893 1.00 0.00 H ATOM 186 HD11 LEU A 65 39.140 2.144 -1.542 1.00 0.00 H ATOM 187 HD12 LEU A 65 38.180 1.543 -0.168 1.00 0.00 H ATOM 188 HD13 LEU A 65 37.600 2.932 -1.119 1.00 0.00 H ATOM 189 H LEU A 65 41.815 3.743 -1.235 1.00 0.00 H ATOM 190 N ASP A 66 43.644 2.061 0.538 1.00 16.86 N ATOM 191 CA ASP A 66 44.658 1.085 0.925 1.00 17.67 C ATOM 192 C ASP A 66 45.558 0.770 -0.258 1.00 15.66 C ATOM 193 O ASP A 66 45.255 1.137 -1.395 1.00 16.15 O ATOM 194 CB ASP A 66 43.998 -0.192 1.461 1.00 14.33 C ATOM 195 CG ASP A 66 43.949 -0.238 3.006 1.00 22.57 C ATOM 196 OD1 ASP A 66 44.936 0.145 3.663 1.00 20.74 O ATOM 197 OD2 ASP A 66 42.927 -0.670 3.580 1.00 27.73 O ATOM 198 HA ASP A 66 45.269 1.511 1.721 1.00 0.00 H ATOM 199 HB2 ASP A 66 42.979 -0.245 1.078 1.00 0.00 H ATOM 200 HB3 ASP A 66 44.564 -1.053 1.104 1.00 0.00 H ATOM 201 H ASP A 66 43.516 2.293 -0.468 1.00 0.00 H ATOM 202 N MET A 67 46.678 0.104 -0.008 1.00 17.74 N ATOM 203 CA MET A 67 47.483 -0.407 -1.119 1.00 17.23 C ATOM 204 C MET A 67 47.967 -1.828 -0.901 1.00 16.94 C ATOM 205 O MET A 67 47.890 -2.362 0.195 1.00 21.06 O ATOM 206 CB MET A 67 48.673 0.502 -1.426 1.00 12.67 C ATOM 207 CG MET A 67 49.588 0.684 -0.268 1.00 26.68 C ATOM 208 SD MET A 67 51.260 1.050 -0.793 1.00 55.51 S ATOM 209 CE MET A 67 51.689 -0.572 -1.456 1.00 36.74 C ATOM 210 HA MET A 67 46.812 -0.415 -1.978 1.00 0.00 H ATOM 211 HB2 MET A 67 49.239 0.066 -2.249 1.00 0.00 H ATOM 212 HB3 MET A 67 48.294 1.479 -1.725 1.00 0.00 H ATOM 213 HG2 MET A 67 49.596 -0.232 0.323 1.00 0.00 H ATOM 214 HG3 MET A 67 49.222 1.508 0.345 1.00 0.00 H ATOM 215 HE1 MET A 67 51.613 -1.318 -0.665 1.00 0.00 H ATOM 216 HE2 MET A 67 51.003 -0.826 -2.264 1.00 0.00 H ATOM 217 HE3 MET A 67 52.710 -0.549 -1.838 1.00 0.00 H ATOM 218 H MET A 67 46.983 -0.054 0.974 1.00 0.00 H ATOM 219 N LYS A 68 48.468 -2.435 -1.967 1.00 19.93 N ATOM 220 CA LYS A 68 49.070 -3.745 -1.886 1.00 11.52 C ATOM 221 C LYS A 68 49.950 -3.939 -3.106 1.00 15.76 C ATOM 222 O LYS A 68 49.813 -3.220 -4.087 1.00 20.63 O ATOM 223 CB LYS A 68 47.991 -4.817 -1.826 1.00 10.48 C ATOM 224 CG LYS A 68 47.402 -5.171 -3.174 1.00 17.01 C ATOM 225 CD LYS A 68 46.284 -6.204 -3.058 1.00 13.60 C ATOM 226 CE LYS A 68 45.659 -6.465 -4.391 1.00 15.42 C ATOM 227 NZ LYS A 68 44.433 -7.260 -4.241 1.00 25.29 N ATOM 228 HA LYS A 68 49.671 -3.828 -0.981 1.00 0.00 H ATOM 229 HB2 LYS A 68 48.426 -5.718 -1.394 1.00 0.00 H ATOM 230 HB3 LYS A 68 47.187 -4.459 -1.183 1.00 0.00 H ATOM 231 HG2 LYS A 68 47.000 -4.267 -3.631 1.00 0.00 H ATOM 232 HG3 LYS A 68 48.191 -5.576 -3.807 1.00 0.00 H ATOM 233 HD2 LYS A 68 46.697 -7.135 -2.668 1.00 0.00 H ATOM 234 HD3 LYS A 68 45.522 -5.831 -2.373 1.00 0.00 H ATOM 235 HE2 LYS A 68 46.365 -7.010 -5.017 1.00 0.00 H ATOM 236 HE3 LYS A 68 45.414 -5.514 -4.864 1.00 0.00 H ATOM 237 HZ1 LYS A 68 44.664 -8.170 -3.793 1.00 0.00 H ATOM 238 HZ2 LYS A 68 43.755 -6.741 -3.647 1.00 0.00 H ATOM 239 HZ3 LYS A 68 44.015 -7.430 -5.178 1.00 0.00 H ATOM 240 H LYS A 68 48.426 -1.954 -2.888 1.00 0.00 H ATOM 241 N THR A 69 50.872 -4.890 -3.028 1.00 20.91 N ATOM 242 CA THR A 69 51.663 -5.297 -4.186 1.00 19.87 C ATOM 243 C THR A 69 51.283 -6.713 -4.548 1.00 22.81 C ATOM 244 O THR A 69 50.920 -7.526 -3.702 1.00 21.03 O ATOM 245 CB THR A 69 53.164 -5.290 -3.913 1.00 15.77 C ATOM 246 OG1 THR A 69 53.452 -6.279 -2.926 1.00 15.50 O ATOM 247 CG2 THR A 69 53.611 -3.935 -3.412 1.00 18.46 C ATOM 248 HA THR A 69 51.455 -4.584 -4.984 1.00 0.00 H ATOM 249 HB THR A 69 53.697 -5.507 -4.839 1.00 0.00 H ATOM 250 HG1 THR A 69 53.174 -7.168 -3.261 1.00 0.00 H ATOM 251 HG23 THR A 69 53.391 -3.179 -4.166 1.00 0.00 H ATOM 252 HG21 THR A 69 53.080 -3.696 -2.491 1.00 0.00 H ATOM 253 HG22 THR A 69 54.684 -3.956 -3.219 1.00 0.00 H ATOM 254 H THR A 69 51.036 -5.360 -2.115 1.00 0.00 H ATOM 255 N GLU A 70 51.365 -6.994 -5.830 1.00 28.10 N ATOM 256 CA GLU A 70 50.988 -8.279 -6.358 1.00 28.89 C ATOM 257 C GLU A 70 51.851 -8.395 -7.590 1.00 33.57 C ATOM 258 O GLU A 70 51.851 -7.490 -8.432 1.00 38.07 O ATOM 259 CB GLU A 70 49.511 -8.234 -6.726 1.00 33.76 C ATOM 260 CG GLU A 70 48.939 -9.523 -7.230 1.00 42.27 C ATOM 261 CD GLU A 70 47.494 -9.698 -6.806 1.00 48.67 C ATOM 262 OE1 GLU A 70 47.200 -9.435 -5.616 1.00 41.14 O ATOM 263 OE2 GLU A 70 46.662 -10.087 -7.658 1.00 46.78 O ATOM 264 HA GLU A 70 51.123 -9.116 -5.673 1.00 0.00 H ATOM 265 HB2 GLU A 70 48.951 -7.941 -5.838 1.00 0.00 H ATOM 266 HB3 GLU A 70 49.380 -7.480 -7.502 1.00 0.00 H ATOM 267 HG2 GLU A 70 48.992 -9.532 -8.319 1.00 0.00 H ATOM 268 HG3 GLU A 70 49.527 -10.350 -6.832 1.00 0.00 H ATOM 269 H GLU A 70 51.714 -6.264 -6.484 1.00 0.00 H ATOM 270 N GLY A 71 52.637 -9.460 -7.671 1.00 26.35 N ATOM 271 CA GLY A 71 53.496 -9.669 -8.821 1.00 29.18 C ATOM 272 C GLY A 71 54.447 -8.524 -9.121 1.00 33.81 C ATOM 273 O GLY A 71 54.593 -8.112 -10.274 1.00 37.14 O ATOM 274 HA3 GLY A 71 52.862 -9.822 -9.695 1.00 0.00 H ATOM 275 HA2 GLY A 71 54.090 -10.566 -8.643 1.00 0.00 H ATOM 276 H GLY A 71 52.638 -10.156 -6.898 1.00 0.00 H ATOM 277 N GLY A 72 55.091 -8.000 -8.086 1.00 32.72 N ATOM 278 CA GLY A 72 56.071 -6.941 -8.263 1.00 34.96 C ATOM 279 C GLY A 72 55.465 -5.606 -8.648 1.00 36.45 C ATOM 280 O GLY A 72 56.181 -4.640 -8.909 1.00 42.66 O ATOM 281 HA3 GLY A 72 56.766 -7.242 -9.047 1.00 0.00 H ATOM 282 HA2 GLY A 72 56.614 -6.815 -7.327 1.00 0.00 H ATOM 283 H GLY A 72 54.891 -8.354 -7.129 1.00 0.00 H ATOM 284 N LYS A 73 54.139 -5.547 -8.673 1.00 32.01 N ATOM 285 CA LYS A 73 53.451 -4.331 -9.085 1.00 35.70 C ATOM 286 C LYS A 73 52.556 -3.779 -7.982 1.00 25.50 C ATOM 287 O LYS A 73 51.933 -4.534 -7.244 1.00 27.21 O ATOM 288 CB LYS A 73 52.638 -4.600 -10.346 1.00 28.97 C ATOM 289 CG LYS A 73 53.486 -4.859 -11.585 1.00 29.58 C ATOM 290 CD LYS A 73 53.952 -3.539 -12.212 1.00 47.27 C ATOM 291 CE LYS A 73 54.332 -3.724 -13.682 1.00 61.40 C ATOM 292 NZ LYS A 73 53.261 -4.417 -14.478 1.00 43.69 N ATOM 293 HA LYS A 73 54.207 -3.574 -9.294 1.00 0.00 H ATOM 294 HB2 LYS A 73 52.011 -5.474 -10.170 1.00 0.00 H ATOM 295 HB3 LYS A 73 52.005 -3.733 -10.538 1.00 0.00 H ATOM 296 HG2 LYS A 73 54.358 -5.449 -11.304 1.00 0.00 H ATOM 297 HG3 LYS A 73 52.894 -5.412 -12.314 1.00 0.00 H ATOM 298 HD2 LYS A 73 53.146 -2.809 -12.143 1.00 0.00 H ATOM 299 HD3 LYS A 73 54.820 -3.173 -11.664 1.00 0.00 H ATOM 300 HE2 LYS A 73 55.244 -4.318 -13.734 1.00 0.00 H ATOM 301 HE3 LYS A 73 54.513 -2.743 -14.121 1.00 0.00 H ATOM 302 HZ1 LYS A 73 53.085 -5.359 -14.074 1.00 0.00 H ATOM 303 HZ2 LYS A 73 52.387 -3.855 -14.444 1.00 0.00 H ATOM 304 HZ3 LYS A 73 53.573 -4.515 -15.465 1.00 0.00 H ATOM 305 H LYS A 73 53.583 -6.381 -8.394 1.00 0.00 H ATOM 306 N VAL A 74 52.506 -2.456 -7.881 1.00 26.53 N ATOM 307 CA VAL A 74 51.690 -1.764 -6.883 1.00 27.95 C ATOM 308 C VAL A 74 50.251 -1.508 -7.360 1.00 30.91 C ATOM 309 O VAL A 74 50.036 -1.054 -8.491 1.00 26.19 O ATOM 310 CB VAL A 74 52.314 -0.414 -6.524 1.00 29.56 C ATOM 311 CG1 VAL A 74 51.441 0.312 -5.514 1.00 30.31 C ATOM 312 CG2 VAL A 74 53.737 -0.611 -6.000 1.00 22.08 C ATOM 313 HA VAL A 74 51.656 -2.423 -6.016 1.00 0.00 H ATOM 314 HB VAL A 74 52.374 0.204 -7.420 1.00 0.00 H ATOM 315 HG11 VAL A 74 50.452 0.477 -5.942 1.00 0.00 H ATOM 316 HG12 VAL A 74 51.352 -0.293 -4.612 1.00 0.00 H ATOM 317 HG13 VAL A 74 51.895 1.271 -5.266 1.00 0.00 H ATOM 318 HG21 VAL A 74 53.711 -1.240 -5.110 1.00 0.00 H ATOM 319 HG22 VAL A 74 54.343 -1.091 -6.769 1.00 0.00 H ATOM 320 HG23 VAL A 74 54.168 0.358 -5.749 1.00 0.00 H ATOM 321 H VAL A 74 53.072 -1.886 -8.541 1.00 0.00 H ATOM 322 N LEU A 75 49.280 -1.809 -6.496 1.00 24.40 N ATOM 323 CA LEU A 75 47.867 -1.506 -6.741 1.00 22.47 C ATOM 324 C LEU A 75 47.300 -0.682 -5.595 1.00 22.31 C ATOM 325 O LEU A 75 47.812 -0.735 -4.473 1.00 19.64 O ATOM 326 CB LEU A 75 47.050 -2.780 -6.888 1.00 15.70 C ATOM 327 CG LEU A 75 47.649 -3.727 -7.921 1.00 26.28 C ATOM 328 CD1 LEU A 75 48.572 -4.721 -7.237 1.00 28.48 C ATOM 329 CD2 LEU A 75 46.556 -4.439 -8.692 1.00 22.84 C ATOM 330 HA LEU A 75 47.806 -0.939 -7.670 1.00 0.00 H ATOM 331 HB2 LEU A 75 47.013 -3.288 -5.924 1.00 0.00 H ATOM 332 HB3 LEU A 75 46.039 -2.516 -7.197 1.00 0.00 H ATOM 333 HG LEU A 75 48.234 -3.147 -8.635 1.00 0.00 H ATOM 334 HD21 LEU A 75 45.941 -5.015 -8.000 1.00 0.00 H ATOM 335 HD22 LEU A 75 45.937 -3.703 -9.205 1.00 0.00 H ATOM 336 HD23 LEU A 75 47.007 -5.110 -9.424 1.00 0.00 H ATOM 337 HD11 LEU A 75 49.375 -4.182 -6.734 1.00 0.00 H ATOM 338 HD12 LEU A 75 48.005 -5.297 -6.506 1.00 0.00 H ATOM 339 HD13 LEU A 75 48.996 -5.394 -7.983 1.00 0.00 H ATOM 340 H LEU A 75 49.538 -2.281 -5.606 1.00 0.00 H ATOM 341 N TYR A 76 46.252 0.083 -5.875 1.00 13.57 N ATOM 342 CA TYR A 76 45.635 0.894 -4.837 1.00 15.70 C ATOM 343 C TYR A 76 44.138 0.623 -4.793 1.00 19.79 C ATOM 344 O TYR A 76 43.505 0.424 -5.831 1.00 24.02 O ATOM 345 CB TYR A 76 45.917 2.391 -5.037 1.00 16.66 C ATOM 346 CG TYR A 76 47.369 2.804 -4.856 1.00 17.41 C ATOM 347 CD1 TYR A 76 47.870 3.110 -3.603 1.00 20.10 C ATOM 348 CD2 TYR A 76 48.234 2.899 -5.945 1.00 23.18 C ATOM 349 CE1 TYR A 76 49.193 3.489 -3.425 1.00 22.68 C ATOM 350 CE2 TYR A 76 49.556 3.284 -5.781 1.00 18.41 C ATOM 351 CZ TYR A 76 50.031 3.575 -4.516 1.00 24.85 C ATOM 352 OH TYR A 76 51.347 3.954 -4.334 1.00 33.73 O ATOM 353 HA TYR A 76 46.076 0.614 -3.880 1.00 0.00 H ATOM 354 HB3 TYR A 76 45.315 2.947 -4.318 1.00 0.00 H ATOM 355 HB2 TYR A 76 45.613 2.660 -6.049 1.00 0.00 H ATOM 356 HD2 TYR A 76 47.864 2.666 -6.944 1.00 0.00 H ATOM 357 HE2 TYR A 76 50.217 3.357 -6.645 1.00 0.00 H ATOM 358 HE1 TYR A 76 49.568 3.718 -2.427 1.00 0.00 H ATOM 359 HD1 TYR A 76 47.211 3.052 -2.737 1.00 0.00 H ATOM 360 HH TYR A 76 51.511 4.122 -3.372 1.00 0.00 H ATOM 361 H TYR A 76 45.870 0.103 -6.842 1.00 0.00 H ATOM 362 N LYS A 77 43.576 0.586 -3.590 1.00 14.62 N ATOM 363 CA LYS A 77 42.145 0.399 -3.456 1.00 15.52 C ATOM 364 C LYS A 77 41.489 1.770 -3.523 1.00 20.90 C ATOM 365 O LYS A 77 41.821 2.675 -2.760 1.00 22.42 O ATOM 366 CB LYS A 77 41.831 -0.296 -2.142 1.00 20.52 C ATOM 367 CG LYS A 77 40.388 -0.659 -1.956 1.00 19.35 C ATOM 368 CD LYS A 77 40.283 -1.813 -0.992 1.00 20.36 C ATOM 369 CE LYS A 77 39.101 -1.676 -0.060 1.00 25.57 C ATOM 370 NZ LYS A 77 39.026 -2.876 0.814 1.00 35.17 N ATOM 371 HA LYS A 77 41.760 -0.231 -4.258 1.00 0.00 H ATOM 372 HB2 LYS A 77 42.421 -1.211 -2.092 1.00 0.00 H ATOM 373 HB3 LYS A 77 42.122 0.368 -1.328 1.00 0.00 H ATOM 374 HG2 LYS A 77 39.845 0.198 -1.558 1.00 0.00 H ATOM 375 HG3 LYS A 77 39.958 -0.946 -2.916 1.00 0.00 H ATOM 376 HD2 LYS A 77 40.176 -2.737 -1.561 1.00 0.00 H ATOM 377 HD3 LYS A 77 41.195 -1.858 -0.397 1.00 0.00 H ATOM 378 HE2 LYS A 77 38.184 -1.592 -0.643 1.00 0.00 H ATOM 379 HE3 LYS A 77 39.222 -0.784 0.555 1.00 0.00 H ATOM 380 HZ1 LYS A 77 38.910 -3.725 0.225 1.00 0.00 H ATOM 381 HZ2 LYS A 77 39.902 -2.954 1.369 1.00 0.00 H ATOM 382 HZ3 LYS A 77 38.214 -2.785 1.457 1.00 0.00 H ATOM 383 H LYS A 77 44.166 0.692 -2.740 1.00 0.00 H ATOM 384 N VAL A 78 40.569 1.918 -4.462 1.00 19.23 N ATOM 385 CA VAL A 78 39.982 3.202 -4.778 1.00 14.74 C ATOM 386 C VAL A 78 38.533 3.279 -4.328 1.00 15.19 C ATOM 387 O VAL A 78 37.781 2.310 -4.443 1.00 16.39 O ATOM 388 CB VAL A 78 40.035 3.451 -6.281 1.00 14.87 C ATOM 389 CG1 VAL A 78 39.309 4.744 -6.641 1.00 13.23 C ATOM 390 CG2 VAL A 78 41.485 3.461 -6.746 1.00 10.80 C ATOM 391 HA VAL A 78 40.559 3.959 -4.248 1.00 0.00 H ATOM 392 HB VAL A 78 39.519 2.644 -6.801 1.00 0.00 H ATOM 393 HG11 VAL A 78 38.266 4.672 -6.332 1.00 0.00 H ATOM 394 HG12 VAL A 78 39.784 5.581 -6.128 1.00 0.00 H ATOM 395 HG13 VAL A 78 39.360 4.900 -7.719 1.00 0.00 H ATOM 396 HG21 VAL A 78 42.026 4.253 -6.228 1.00 0.00 H ATOM 397 HG22 VAL A 78 41.944 2.498 -6.521 1.00 0.00 H ATOM 398 HG23 VAL A 78 41.519 3.639 -7.821 1.00 0.00 H ATOM 399 H VAL A 78 40.256 1.080 -4.993 1.00 0.00 H ATOM 400 N ARG A 79 38.174 4.430 -3.775 1.00 13.27 N ATOM 401 CA ARG A 79 36.796 4.764 -3.462 1.00 19.30 C ATOM 402 C ARG A 79 36.355 5.780 -4.490 1.00 17.81 C ATOM 403 O ARG A 79 36.926 6.868 -4.599 1.00 17.74 O ATOM 404 CB ARG A 79 36.685 5.348 -2.047 1.00 19.35 C ATOM 405 CG ARG A 79 35.356 6.010 -1.711 1.00 16.70 C ATOM 406 CD ARG A 79 34.148 5.063 -1.767 1.00 17.88 C ATOM 407 NE ARG A 79 34.394 3.813 -1.073 1.00 19.51 N ATOM 408 CZ ARG A 79 34.593 3.694 0.237 1.00 26.17 C ATOM 409 NH1 ARG A 79 34.570 4.758 1.027 1.00 27.48 N ATOM 410 NH2 ARG A 79 34.830 2.501 0.759 1.00 26.25 N ATOM 411 HA ARG A 79 36.165 3.876 -3.490 1.00 0.00 H ATOM 412 HB2 ARG A 79 36.846 4.538 -1.336 1.00 0.00 H ATOM 413 HB3 ARG A 79 37.471 6.094 -1.929 1.00 0.00 H ATOM 414 HG2 ARG A 79 35.423 6.419 -0.703 1.00 0.00 H ATOM 415 HG3 ARG A 79 35.189 6.820 -2.421 1.00 0.00 H ATOM 416 HD2 ARG A 79 33.921 4.846 -2.811 1.00 0.00 H ATOM 417 HD3 ARG A 79 33.293 5.558 -1.306 1.00 0.00 H ATOM 418 HE ARG A 79 34.417 2.943 -1.643 1.00 0.00 H ATOM 419 HH12 ARG A 79 34.727 4.650 2.049 1.00 0.00 H ATOM 420 HH11 ARG A 79 34.395 5.701 0.625 1.00 0.00 H ATOM 421 HH22 ARG A 79 34.986 2.403 1.783 1.00 0.00 H ATOM 422 HH21 ARG A 79 34.860 1.662 0.146 1.00 0.00 H ATOM 423 H ARG A 79 38.915 5.126 -3.555 1.00 0.00 H ATOM 424 N TRP A 80 35.351 5.419 -5.270 1.00 15.92 N ATOM 425 CA TRP A 80 34.947 6.271 -6.372 1.00 17.05 C ATOM 426 C TRP A 80 33.994 7.346 -5.851 1.00 20.41 C ATOM 427 O TRP A 80 33.149 7.066 -5.000 1.00 22.57 O ATOM 428 CB TRP A 80 34.352 5.409 -7.488 1.00 15.22 C ATOM 429 CG TRP A 80 35.368 4.438 -8.009 1.00 17.20 C ATOM 430 CD1 TRP A 80 35.510 3.126 -7.660 1.00 14.92 C ATOM 431 CD2 TRP A 80 36.413 4.717 -8.947 1.00 18.14 C ATOM 432 NE1 TRP A 80 36.561 2.573 -8.330 1.00 15.95 N ATOM 433 CE2 TRP A 80 37.135 3.524 -9.129 1.00 14.60 C ATOM 434 CE3 TRP A 80 36.804 5.860 -9.659 1.00 19.43 C ATOM 435 CZ2 TRP A 80 38.231 3.437 -9.988 1.00 18.91 C ATOM 436 CZ3 TRP A 80 37.890 5.770 -10.515 1.00 23.57 C ATOM 437 CH2 TRP A 80 38.593 4.570 -10.668 1.00 21.68 C ATOM 438 HA TRP A 80 35.801 6.792 -6.805 1.00 0.00 H ATOM 439 HB2 TRP A 80 33.497 4.857 -7.097 1.00 0.00 H ATOM 440 HB3 TRP A 80 34.024 6.055 -8.302 1.00 0.00 H ATOM 441 HE1 TRP A 80 36.876 1.585 -8.247 1.00 0.00 H ATOM 442 HD1 TRP A 80 34.875 2.597 -6.949 1.00 0.00 H ATOM 443 HZ2 TRP A 80 38.779 2.503 -10.113 1.00 0.00 H ATOM 444 HH2 TRP A 80 39.448 4.536 -11.343 1.00 0.00 H ATOM 445 HZ3 TRP A 80 38.202 6.649 -11.079 1.00 0.00 H ATOM 446 HE3 TRP A 80 36.265 6.800 -9.542 1.00 0.00 H ATOM 447 H TRP A 80 34.851 4.524 -5.094 1.00 0.00 H ATOM 448 N LYS A 81 34.154 8.577 -6.326 1.00 18.80 N ATOM 449 CA LYS A 81 33.381 9.694 -5.797 1.00 16.30 C ATOM 450 C LYS A 81 31.936 9.539 -6.237 1.00 23.69 C ATOM 451 O LYS A 81 31.669 9.316 -7.417 1.00 23.77 O ATOM 452 CB LYS A 81 33.943 11.032 -6.290 1.00 25.77 C ATOM 453 CG LYS A 81 33.214 12.263 -5.751 1.00 22.48 C ATOM 454 CD LYS A 81 34.206 13.301 -5.265 1.00 29.93 C ATOM 455 CE LYS A 81 33.518 14.570 -4.778 1.00 33.01 C ATOM 456 NZ LYS A 81 32.898 14.418 -3.422 1.00 51.41 N ATOM 457 HA LYS A 81 33.442 9.689 -4.709 1.00 0.00 H ATOM 458 HB2 LYS A 81 34.988 11.095 -5.987 1.00 0.00 H ATOM 459 HB3 LYS A 81 33.880 11.048 -7.378 1.00 0.00 H ATOM 460 HG2 LYS A 81 32.604 12.694 -6.545 1.00 0.00 H ATOM 461 HG3 LYS A 81 32.572 11.965 -4.922 1.00 0.00 H ATOM 462 HD2 LYS A 81 34.784 12.877 -4.444 1.00 0.00 H ATOM 463 HD3 LYS A 81 34.877 13.557 -6.085 1.00 0.00 H ATOM 464 HE2 LYS A 81 32.736 14.836 -5.489 1.00 0.00 H ATOM 465 HE3 LYS A 81 34.256 15.371 -4.735 1.00 0.00 H ATOM 466 HZ1 LYS A 81 32.184 13.663 -3.451 1.00 0.00 H ATOM 467 HZ2 LYS A 81 33.635 14.173 -2.731 1.00 0.00 H ATOM 468 HZ3 LYS A 81 32.446 15.313 -3.146 1.00 0.00 H ATOM 469 H LYS A 81 34.842 8.746 -7.087 1.00 0.00 H ATOM 470 N GLY A 82 31.013 9.646 -5.283 1.00 22.18 N ATOM 471 CA GLY A 82 29.603 9.446 -5.540 1.00 15.43 C ATOM 472 C GLY A 82 29.233 7.980 -5.447 1.00 18.53 C ATOM 473 O GLY A 82 28.128 7.610 -5.791 1.00 19.03 O ATOM 474 HA3 GLY A 82 29.368 9.810 -6.540 1.00 0.00 H ATOM 475 HA2 GLY A 82 29.024 10.007 -4.806 1.00 0.00 H ATOM 476 H GLY A 82 31.317 9.882 -4.317 1.00 0.00 H ATOM 477 N TYR A 83 30.162 7.141 -4.986 1.00 21.60 N ATOM 478 CA TYR A 83 29.918 5.701 -4.916 1.00 16.84 C ATOM 479 C TYR A 83 30.165 5.184 -3.526 1.00 21.45 C ATOM 480 O TYR A 83 30.718 5.903 -2.693 1.00 30.95 O ATOM 481 CB TYR A 83 30.774 4.948 -5.932 1.00 18.08 C ATOM 482 CG TYR A 83 30.269 5.106 -7.347 1.00 17.16 C ATOM 483 CD1 TYR A 83 30.643 6.196 -8.113 1.00 15.43 C ATOM 484 CD2 TYR A 83 29.404 4.182 -7.907 1.00 14.11 C ATOM 485 CE1 TYR A 83 30.188 6.354 -9.393 1.00 14.93 C ATOM 486 CE2 TYR A 83 28.938 4.346 -9.195 1.00 16.45 C ATOM 487 CZ TYR A 83 29.339 5.442 -9.934 1.00 16.22 C ATOM 488 OH TYR A 83 28.892 5.634 -11.227 1.00 20.86 O ATOM 489 HA TYR A 83 28.871 5.527 -5.164 1.00 0.00 H ATOM 490 HB3 TYR A 83 30.770 3.889 -5.676 1.00 0.00 H ATOM 491 HB2 TYR A 83 31.794 5.329 -5.880 1.00 0.00 H ATOM 492 HD2 TYR A 83 29.088 3.316 -7.325 1.00 0.00 H ATOM 493 HE2 TYR A 83 28.256 3.614 -9.628 1.00 0.00 H ATOM 494 HE1 TYR A 83 30.508 7.214 -9.981 1.00 0.00 H ATOM 495 HD1 TYR A 83 31.313 6.943 -7.688 1.00 0.00 H ATOM 496 HH TYR A 83 29.285 6.467 -11.590 1.00 0.00 H ATOM 497 H TYR A 83 31.078 7.519 -4.670 1.00 0.00 H ATOM 498 N THR A 84 29.730 3.959 -3.256 1.00 21.84 N ATOM 499 CA THR A 84 29.950 3.380 -1.931 1.00 26.35 C ATOM 500 C THR A 84 31.004 2.279 -1.914 1.00 24.76 C ATOM 501 O THR A 84 31.576 1.912 -2.941 1.00 21.69 O ATOM 502 CB THR A 84 28.673 2.806 -1.314 1.00 29.39 C ATOM 503 OG1 THR A 84 28.306 1.609 -2.007 1.00 32.17 O ATOM 504 CG2 THR A 84 27.541 3.813 -1.383 1.00 22.36 C ATOM 505 HA THR A 84 30.303 4.225 -1.339 1.00 0.00 H ATOM 506 HB THR A 84 28.862 2.578 -0.265 1.00 0.00 H ATOM 507 HG1 THR A 84 27.480 1.238 -1.607 1.00 0.00 H ATOM 508 HG23 THR A 84 27.831 4.720 -0.853 1.00 0.00 H ATOM 509 HG21 THR A 84 27.332 4.051 -2.426 1.00 0.00 H ATOM 510 HG22 THR A 84 26.650 3.389 -0.920 1.00 0.00 H ATOM 511 H THR A 84 29.233 3.411 -3.987 1.00 0.00 H ATOM 512 N SER A 85 31.243 1.756 -0.721 1.00 29.29 N ATOM 513 CA SER A 85 32.258 0.732 -0.527 1.00 33.95 C ATOM 514 C SER A 85 31.979 -0.463 -1.418 1.00 25.30 C ATOM 515 O SER A 85 32.876 -1.236 -1.715 1.00 32.55 O ATOM 516 CB SER A 85 32.283 0.266 0.926 1.00 28.14 C ATOM 517 OG SER A 85 31.251 -0.695 1.135 1.00 45.29 O ATOM 518 HA SER A 85 33.224 1.167 -0.785 1.00 0.00 H ATOM 519 HB2 SER A 85 32.123 1.120 1.584 1.00 0.00 H ATOM 520 HB3 SER A 85 33.250 -0.185 1.146 1.00 0.00 H ATOM 521 HG SER A 85 31.268 -0.996 2.078 1.00 0.00 H ATOM 522 H SER A 85 30.692 2.085 0.097 1.00 0.00 H ATOM 523 N ASP A 86 30.738 -0.614 -1.850 1.00 23.58 N ATOM 524 CA ASP A 86 30.370 -1.787 -2.630 1.00 29.19 C ATOM 525 C ASP A 86 30.888 -1.718 -4.055 1.00 30.89 C ATOM 526 O ASP A 86 30.750 -2.678 -4.818 1.00 35.63 O ATOM 527 CB ASP A 86 28.856 -1.989 -2.621 1.00 42.65 C ATOM 528 CG ASP A 86 28.281 -2.008 -1.212 1.00 51.50 C ATOM 529 OD1 ASP A 86 28.900 -2.637 -0.312 1.00 54.59 O ATOM 530 OD2 ASP A 86 27.220 -1.379 -1.002 1.00 53.35 O ATOM 531 HA ASP A 86 30.845 -2.646 -2.155 1.00 0.00 H ATOM 532 HB2 ASP A 86 28.391 -1.176 -3.178 1.00 0.00 H ATOM 533 HB3 ASP A 86 28.626 -2.938 -3.106 1.00 0.00 H ATOM 534 H ASP A 86 30.022 0.108 -1.632 1.00 0.00 H ATOM 535 N ASP A 87 31.491 -0.588 -4.414 1.00 27.49 N ATOM 536 CA ASP A 87 32.009 -0.406 -5.764 1.00 26.02 C ATOM 537 C ASP A 87 33.512 -0.239 -5.785 1.00 24.14 C ATOM 538 O ASP A 87 34.086 0.034 -6.826 1.00 24.41 O ATOM 539 CB ASP A 87 31.366 0.808 -6.428 1.00 28.52 C ATOM 540 CG ASP A 87 29.920 0.568 -6.799 1.00 35.89 C ATOM 541 OD1 ASP A 87 29.693 -0.201 -7.756 1.00 40.14 O ATOM 542 OD2 ASP A 87 29.023 1.151 -6.146 1.00 35.17 O ATOM 543 HA ASP A 87 31.758 -1.311 -6.317 1.00 0.00 H ATOM 544 HB2 ASP A 87 31.415 1.651 -5.738 1.00 0.00 H ATOM 545 HB3 ASP A 87 31.924 1.048 -7.333 1.00 0.00 H ATOM 546 H ASP A 87 31.595 0.179 -3.719 1.00 0.00 H ATOM 547 N ASP A 88 34.146 -0.383 -4.630 1.00 22.37 N ATOM 548 CA ASP A 88 35.587 -0.234 -4.551 1.00 19.35 C ATOM 549 C ASP A 88 36.287 -1.262 -5.435 1.00 23.46 C ATOM 550 O ASP A 88 35.868 -2.416 -5.543 1.00 22.65 O ATOM 551 CB ASP A 88 36.071 -0.378 -3.110 1.00 21.20 C ATOM 552 CG ASP A 88 35.580 0.732 -2.215 1.00 20.56 C ATOM 553 OD1 ASP A 88 35.023 1.714 -2.739 1.00 20.44 O ATOM 554 OD2 ASP A 88 35.768 0.630 -0.988 1.00 21.35 O ATOM 555 HA ASP A 88 35.837 0.766 -4.907 1.00 0.00 H ATOM 556 HB2 ASP A 88 35.712 -1.329 -2.715 1.00 0.00 H ATOM 557 HB3 ASP A 88 37.161 -0.372 -3.106 1.00 0.00 H ATOM 558 H ASP A 88 33.604 -0.605 -3.770 1.00 0.00 H ATOM 559 N THR A 89 37.367 -0.832 -6.064 1.00 21.90 N ATOM 560 CA THR A 89 38.151 -1.709 -6.893 1.00 18.17 C ATOM 561 C THR A 89 39.609 -1.546 -6.500 1.00 18.81 C ATOM 562 O THR A 89 39.986 -0.560 -5.874 1.00 19.78 O ATOM 563 CB THR A 89 37.974 -1.376 -8.404 1.00 19.64 C ATOM 564 OG1 THR A 89 38.314 -0.007 -8.639 1.00 14.41 O ATOM 565 CG2 THR A 89 36.552 -1.619 -8.864 1.00 15.74 C ATOM 566 HA THR A 89 37.818 -2.736 -6.744 1.00 0.00 H ATOM 567 HB THR A 89 38.636 -2.032 -8.969 1.00 0.00 H ATOM 568 HG1 THR A 89 38.200 0.200 -9.600 1.00 0.00 H ATOM 569 HG23 THR A 89 36.287 -2.662 -8.687 1.00 0.00 H ATOM 570 HG21 THR A 89 35.875 -0.971 -8.306 1.00 0.00 H ATOM 571 HG22 THR A 89 36.473 -1.398 -9.929 1.00 0.00 H ATOM 572 H THR A 89 37.656 0.161 -5.958 1.00 0.00 H ATOM 573 N TRP A 90 40.419 -2.537 -6.848 1.00 18.26 N ATOM 574 CA TRP A 90 41.863 -2.408 -6.844 1.00 18.79 C ATOM 575 C TRP A 90 42.278 -1.918 -8.227 1.00 18.51 C ATOM 576 O TRP A 90 41.741 -2.366 -9.227 1.00 22.51 O ATOM 577 CB TRP A 90 42.500 -3.762 -6.533 1.00 16.06 C ATOM 578 CG TRP A 90 42.378 -4.136 -5.093 1.00 13.10 C ATOM 579 CD1 TRP A 90 41.477 -4.983 -4.539 1.00 15.27 C ATOM 580 CD2 TRP A 90 43.189 -3.644 -4.015 1.00 14.40 C ATOM 581 NE1 TRP A 90 41.683 -5.067 -3.184 1.00 14.45 N ATOM 582 CE2 TRP A 90 42.725 -4.247 -2.838 1.00 12.29 C ATOM 583 CE3 TRP A 90 44.274 -2.756 -3.939 1.00 16.86 C ATOM 584 CZ2 TRP A 90 43.304 -3.997 -1.593 1.00 15.09 C ATOM 585 CZ3 TRP A 90 44.861 -2.519 -2.698 1.00 15.30 C ATOM 586 CH2 TRP A 90 44.367 -3.133 -1.543 1.00 12.92 C ATOM 587 HA TRP A 90 42.194 -1.703 -6.082 1.00 0.00 H ATOM 588 HB2 TRP A 90 42.009 -4.526 -7.135 1.00 0.00 H ATOM 589 HB3 TRP A 90 43.557 -3.719 -6.795 1.00 0.00 H ATOM 590 HE1 TRP A 90 41.136 -5.658 -2.526 1.00 0.00 H ATOM 591 HD1 TRP A 90 40.703 -5.519 -5.088 1.00 0.00 H ATOM 592 HZ2 TRP A 90 42.923 -4.473 -0.690 1.00 0.00 H ATOM 593 HH2 TRP A 90 44.837 -2.920 -0.583 1.00 0.00 H ATOM 594 HZ3 TRP A 90 45.716 -1.847 -2.627 1.00 0.00 H ATOM 595 HE3 TRP A 90 44.650 -2.261 -4.834 1.00 0.00 H ATOM 596 H TRP A 90 40.001 -3.445 -7.136 1.00 0.00 H ATOM 597 N GLU A 91 43.207 -0.983 -8.288 1.00 16.64 N ATOM 598 CA GLU A 91 43.613 -0.416 -9.561 1.00 17.56 C ATOM 599 C GLU A 91 45.124 -0.365 -9.639 1.00 21.91 C ATOM 600 O GLU A 91 45.782 0.046 -8.686 1.00 20.26 O ATOM 601 CB GLU A 91 43.068 1.010 -9.736 1.00 19.73 C ATOM 602 CG GLU A 91 41.544 1.149 -9.796 1.00 20.05 C ATOM 603 CD GLU A 91 40.942 0.379 -10.938 1.00 21.85 C ATOM 604 OE1 GLU A 91 41.680 0.059 -11.893 1.00 22.85 O ATOM 605 OE2 GLU A 91 39.742 0.068 -10.869 1.00 19.39 O ATOM 606 HA GLU A 91 43.209 -1.050 -10.351 1.00 0.00 H ATOM 607 HB2 GLU A 91 43.424 1.608 -8.897 1.00 0.00 H ATOM 608 HB3 GLU A 91 43.476 1.410 -10.664 1.00 0.00 H ATOM 609 HG2 GLU A 91 41.121 0.778 -8.862 1.00 0.00 H ATOM 610 HG3 GLU A 91 41.293 2.203 -9.913 1.00 0.00 H ATOM 611 H GLU A 91 43.655 -0.647 -7.411 1.00 0.00 H ATOM 612 N PRO A 92 45.682 -0.776 -10.782 1.00 24.75 N ATOM 613 CA PRO A 92 47.129 -0.644 -10.988 1.00 22.69 C ATOM 614 C PRO A 92 47.543 0.810 -11.095 1.00 24.31 C ATOM 615 O PRO A 92 46.792 1.635 -11.601 1.00 25.44 O ATOM 616 CB PRO A 92 47.367 -1.367 -12.319 1.00 26.84 C ATOM 617 CG PRO A 92 46.014 -1.427 -12.987 1.00 28.15 C ATOM 618 CD PRO A 92 45.019 -1.519 -11.869 1.00 21.81 C ATOM 619 HA PRO A 92 47.707 -1.056 -10.161 1.00 0.00 H ATOM 620 HD3 PRO A 92 44.073 -1.052 -12.145 1.00 0.00 H ATOM 621 HD2 PRO A 92 44.841 -2.556 -11.585 1.00 0.00 H ATOM 622 HG3 PRO A 92 45.945 -2.303 -13.631 1.00 0.00 H ATOM 623 HG2 PRO A 92 45.841 -0.528 -13.579 1.00 0.00 H ATOM 624 HB2 PRO A 92 48.073 -0.811 -12.935 1.00 0.00 H ATOM 625 HB3 PRO A 92 47.752 -2.372 -12.145 1.00 0.00 H ATOM 626 N GLU A 93 48.735 1.116 -10.606 1.00 24.94 N ATOM 627 CA GLU A 93 49.285 2.457 -10.696 1.00 24.94 C ATOM 628 C GLU A 93 49.000 3.183 -12.022 1.00 29.40 C ATOM 629 O GLU A 93 48.706 4.373 -12.013 1.00 31.41 O ATOM 630 CB GLU A 93 50.787 2.420 -10.427 1.00 27.73 C ATOM 631 CG GLU A 93 51.164 2.640 -8.969 1.00 38.72 C ATOM 632 CD GLU A 93 52.643 2.982 -8.771 1.00 35.85 C ATOM 633 OE1 GLU A 93 53.445 2.689 -9.682 1.00 41.71 O ATOM 634 OE2 GLU A 93 52.999 3.539 -7.702 1.00 35.55 O ATOM 635 HA GLU A 93 48.770 3.040 -9.932 1.00 0.00 H ATOM 636 HB2 GLU A 93 51.166 1.446 -10.735 1.00 0.00 H ATOM 637 HB3 GLU A 93 51.261 3.199 -11.024 1.00 0.00 H ATOM 638 HG2 GLU A 93 50.563 3.460 -8.576 1.00 0.00 H ATOM 639 HG3 GLU A 93 50.942 1.729 -8.413 1.00 0.00 H ATOM 640 H GLU A 93 49.295 0.372 -10.143 1.00 0.00 H ATOM 641 N ILE A 94 49.090 2.487 -13.155 1.00 29.64 N ATOM 642 CA ILE A 94 48.945 3.150 -14.461 1.00 34.16 C ATOM 643 C ILE A 94 47.573 3.804 -14.667 1.00 31.11 C ATOM 644 O ILE A 94 47.342 4.535 -15.637 1.00 32.84 O ATOM 645 CB ILE A 94 49.221 2.190 -15.658 1.00 27.27 C ATOM 646 CG1 ILE A 94 48.163 1.096 -15.715 1.00 24.61 C ATOM 647 CG2 ILE A 94 50.607 1.615 -15.563 1.00 32.27 C ATOM 648 CD1 ILE A 94 48.238 0.222 -16.953 1.00 40.71 C ATOM 649 HA ILE A 94 49.703 3.933 -14.443 1.00 0.00 H ATOM 650 HB ILE A 94 49.162 2.758 -16.587 1.00 0.00 H ATOM 651 HG12 ILE A 94 48.282 0.459 -14.839 1.00 0.00 H ATOM 652 HG13 ILE A 94 47.181 1.568 -15.689 1.00 0.00 H ATOM 653 HD11 ILE A 94 48.108 0.840 -17.841 1.00 0.00 H ATOM 654 HD12 ILE A 94 49.210 -0.270 -16.991 1.00 0.00 H ATOM 655 HD13 ILE A 94 47.450 -0.530 -16.914 1.00 0.00 H ATOM 656 HG21 ILE A 94 51.337 2.424 -15.582 1.00 0.00 H ATOM 657 HG22 ILE A 94 50.705 1.058 -14.631 1.00 0.00 H ATOM 658 HG23 ILE A 94 50.781 0.948 -16.407 1.00 0.00 H ATOM 659 H ILE A 94 49.265 1.463 -13.116 1.00 0.00 H ATOM 660 N HIS A 95 46.663 3.517 -13.755 1.00 27.24 N ATOM 661 CA HIS A 95 45.327 4.065 -13.805 1.00 25.48 C ATOM 662 C HIS A 95 45.216 5.338 -12.959 1.00 29.05 C ATOM 663 O HIS A 95 44.202 6.024 -12.999 1.00 32.82 O ATOM 664 CB HIS A 95 44.341 3.024 -13.277 1.00 23.13 C ATOM 665 CG HIS A 95 43.996 1.957 -14.259 1.00 19.17 C ATOM 666 ND1 HIS A 95 43.054 0.987 -13.992 1.00 20.51 N ATOM 667 CD2 HIS A 95 44.442 1.716 -15.515 1.00 22.26 C ATOM 668 CE1 HIS A 95 42.943 0.185 -15.037 1.00 21.93 C ATOM 669 NE2 HIS A 95 43.769 0.610 -15.978 1.00 24.59 N ATOM 670 HA HIS A 95 45.097 4.320 -14.840 1.00 0.00 H ATOM 671 HB2 HIS A 95 44.780 2.552 -12.398 1.00 0.00 H ATOM 672 HB3 HIS A 95 43.422 3.537 -12.992 1.00 0.00 H ATOM 673 HD2 HIS A 95 45.193 2.291 -16.057 1.00 0.00 H ATOM 674 HE1 HIS A 95 42.283 -0.679 -15.110 1.00 0.00 H ATOM 675 H HIS A 95 46.916 2.876 -12.976 1.00 0.00 H ATOM 676 N LEU A 96 46.260 5.651 -12.199 1.00 31.56 N ATOM 677 CA LEU A 96 46.212 6.740 -11.225 1.00 30.22 C ATOM 678 C LEU A 96 47.164 7.895 -11.539 1.00 33.31 C ATOM 679 O LEU A 96 47.563 8.637 -10.632 1.00 30.59 O ATOM 680 CB LEU A 96 46.553 6.208 -9.829 1.00 26.44 C ATOM 681 CG LEU A 96 45.849 4.926 -9.388 1.00 30.36 C ATOM 682 CD1 LEU A 96 46.540 4.339 -8.162 1.00 31.97 C ATOM 683 CD2 LEU A 96 44.386 5.163 -9.120 1.00 20.12 C ATOM 684 HA LEU A 96 45.195 7.130 -11.271 1.00 0.00 H ATOM 685 HB2 LEU A 96 47.627 6.021 -9.800 1.00 0.00 H ATOM 686 HB3 LEU A 96 46.302 6.987 -9.109 1.00 0.00 H ATOM 687 HG LEU A 96 45.917 4.206 -10.204 1.00 0.00 H ATOM 688 HD21 LEU A 96 44.278 5.906 -8.329 1.00 0.00 H ATOM 689 HD22 LEU A 96 43.906 5.526 -10.029 1.00 0.00 H ATOM 690 HD23 LEU A 96 43.919 4.229 -8.809 1.00 0.00 H ATOM 691 HD11 LEU A 96 47.578 4.111 -8.406 1.00 0.00 H ATOM 692 HD12 LEU A 96 46.508 5.062 -7.347 1.00 0.00 H ATOM 693 HD13 LEU A 96 46.027 3.426 -7.860 1.00 0.00 H ATOM 694 H LEU A 96 47.139 5.104 -12.300 1.00 0.00 H ATOM 695 N GLU A 97 47.543 8.056 -12.801 1.00 28.31 N ATOM 696 CA GLU A 97 48.436 9.159 -13.140 1.00 40.38 C ATOM 697 C GLU A 97 47.830 10.518 -12.740 1.00 40.67 C ATOM 698 O GLU A 97 48.545 11.410 -12.287 1.00 40.72 O ATOM 699 CB GLU A 97 48.821 9.129 -14.621 1.00 41.22 C ATOM 700 HA GLU A 97 49.351 9.030 -12.562 1.00 0.00 H ATOM 701 HB2 GLU A 97 49.328 8.190 -14.844 1.00 0.00 H ATOM 702 HB3 GLU A 97 47.921 9.211 -15.231 1.00 0.00 H ATOM 703 H GLU A 97 47.208 7.404 -13.539 1.00 0.00 H ATOM 704 N ASP A 98 46.511 10.656 -12.872 1.00 37.75 N ATOM 705 CA ASP A 98 45.825 11.918 -12.569 1.00 36.91 C ATOM 706 C ASP A 98 45.236 12.001 -11.165 1.00 35.35 C ATOM 707 O ASP A 98 44.263 12.723 -10.953 1.00 32.37 O ATOM 708 CB ASP A 98 44.693 12.144 -13.558 1.00 39.86 C ATOM 709 CG ASP A 98 45.019 11.622 -14.924 1.00 50.59 C ATOM 710 OD1 ASP A 98 44.615 10.473 -15.238 1.00 54.55 O ATOM 711 OD2 ASP A 98 45.692 12.361 -15.675 1.00 54.17 O ATOM 712 HA ASP A 98 46.598 12.683 -12.643 1.00 0.00 H ATOM 713 HB2 ASP A 98 43.801 11.636 -13.192 1.00 0.00 H ATOM 714 HB3 ASP A 98 44.497 13.214 -13.629 1.00 0.00 H ATOM 715 H ASP A 98 45.950 9.844 -13.200 1.00 0.00 H ATOM 716 N CYS A 99 45.837 11.274 -10.227 1.00 33.43 N ATOM 717 CA CYS A 99 45.409 11.221 -8.833 1.00 31.50 C ATOM 718 C CYS A 99 46.542 11.532 -7.866 1.00 33.22 C ATOM 719 O CYS A 99 46.552 11.041 -6.736 1.00 28.61 O ATOM 720 CB CYS A 99 44.939 9.813 -8.507 1.00 26.75 C ATOM 721 SG CYS A 99 43.311 9.535 -9.000 1.00 37.97 S ATOM 722 HA CYS A 99 44.620 11.964 -8.719 1.00 0.00 H ATOM 723 HB2 CYS A 99 45.010 9.660 -7.430 1.00 0.00 H ATOM 724 HB3 CYS A 99 45.587 9.100 -9.018 1.00 0.00 H ATOM 725 HG CYS A 99 43.208 9.715 -10.364 1.00 0.00 H ATOM 726 H CYS A 99 46.664 10.708 -10.505 1.00 0.00 H ATOM 727 N LYS A 100 47.513 12.309 -8.318 1.00 33.61 N ATOM 728 CA LYS A 100 48.698 12.561 -7.515 1.00 31.40 C ATOM 729 C LYS A 100 48.329 13.043 -6.110 1.00 32.72 C ATOM 730 O LYS A 100 48.921 12.603 -5.130 1.00 32.49 O ATOM 731 CB LYS A 100 49.603 13.559 -8.234 1.00 40.31 C ATOM 732 CG LYS A 100 50.059 13.057 -9.608 1.00 51.22 C ATOM 733 CD LYS A 100 50.535 14.187 -10.520 1.00 49.75 C ATOM 734 HA LYS A 100 49.244 11.626 -7.391 1.00 0.00 H ATOM 735 HB2 LYS A 100 49.057 14.493 -8.367 1.00 0.00 H ATOM 736 HB3 LYS A 100 50.484 13.739 -7.618 1.00 0.00 H ATOM 737 HG2 LYS A 100 50.879 12.353 -9.468 1.00 0.00 H ATOM 738 HG3 LYS A 100 49.223 12.549 -10.089 1.00 0.00 H ATOM 739 HD2 LYS A 100 49.720 14.894 -10.676 1.00 0.00 H ATOM 740 HD3 LYS A 100 51.377 14.698 -10.054 1.00 0.00 H ATOM 741 H LYS A 100 47.427 12.744 -9.259 1.00 0.00 H ATOM 742 N GLU A 101 47.330 13.918 -6.017 1.00 33.39 N ATOM 743 CA GLU A 101 46.891 14.471 -4.734 1.00 29.27 C ATOM 744 C GLU A 101 46.230 13.468 -3.789 1.00 29.21 C ATOM 745 O GLU A 101 46.500 13.489 -2.593 1.00 32.78 O ATOM 746 CB GLU A 101 45.972 15.678 -4.936 1.00 38.19 C ATOM 747 CG GLU A 101 46.623 16.851 -5.650 1.00 50.28 C ATOM 748 CD GLU A 101 45.630 17.959 -5.977 1.00 67.75 C ATOM 749 OE1 GLU A 101 45.642 18.452 -7.133 1.00 68.29 O ATOM 750 OE2 GLU A 101 44.838 18.331 -5.080 1.00 59.41 O ATOM 751 HA GLU A 101 47.814 14.780 -4.243 1.00 0.00 H ATOM 752 HB2 GLU A 101 45.111 15.357 -5.522 1.00 0.00 H ATOM 753 HB3 GLU A 101 45.636 16.019 -3.957 1.00 0.00 H ATOM 754 HG2 GLU A 101 47.405 17.260 -5.010 1.00 0.00 H ATOM 755 HG3 GLU A 101 47.066 16.493 -6.579 1.00 0.00 H ATOM 756 H GLU A 101 46.844 14.219 -6.886 1.00 0.00 H ATOM 757 N VAL A 102 45.361 12.599 -4.296 1.00 25.27 N ATOM 758 CA VAL A 102 44.784 11.590 -3.414 1.00 25.30 C ATOM 759 C VAL A 102 45.838 10.583 -3.004 1.00 25.26 C ATOM 760 O VAL A 102 45.765 9.998 -1.934 1.00 29.96 O ATOM 761 CB VAL A 102 43.566 10.849 -4.023 1.00 28.27 C ATOM 762 CG1 VAL A 102 42.348 11.751 -4.035 1.00 23.71 C ATOM 763 CG2 VAL A 102 43.882 10.351 -5.405 1.00 26.22 C ATOM 764 HA VAL A 102 44.417 12.132 -2.542 1.00 0.00 H ATOM 765 HB VAL A 102 43.342 9.984 -3.399 1.00 0.00 H ATOM 766 HG11 VAL A 102 42.108 12.049 -3.014 1.00 0.00 H ATOM 767 HG12 VAL A 102 42.560 12.637 -4.633 1.00 0.00 H ATOM 768 HG13 VAL A 102 41.503 11.213 -4.466 1.00 0.00 H ATOM 769 HG21 VAL A 102 44.136 11.196 -6.045 1.00 0.00 H ATOM 770 HG22 VAL A 102 44.726 9.662 -5.358 1.00 0.00 H ATOM 771 HG23 VAL A 102 43.012 9.835 -5.811 1.00 0.00 H ATOM 772 H VAL A 102 45.098 12.638 -5.301 1.00 0.00 H ATOM 773 N LEU A 103 46.822 10.381 -3.861 1.00 22.48 N ATOM 774 CA LEU A 103 47.912 9.481 -3.533 1.00 27.29 C ATOM 775 C LEU A 103 48.791 10.040 -2.411 1.00 32.97 C ATOM 776 O LEU A 103 49.185 9.308 -1.508 1.00 37.96 O ATOM 777 CB LEU A 103 48.720 9.134 -4.783 1.00 25.41 C ATOM 778 CG LEU A 103 47.922 8.180 -5.671 1.00 28.61 C ATOM 779 CD1 LEU A 103 48.521 8.015 -7.070 1.00 22.53 C ATOM 780 CD2 LEU A 103 47.792 6.837 -4.958 1.00 31.53 C ATOM 781 HA LEU A 103 47.482 8.554 -3.153 1.00 0.00 H ATOM 782 HB2 LEU A 103 48.938 10.047 -5.337 1.00 0.00 H ATOM 783 HB3 LEU A 103 49.655 8.657 -4.488 1.00 0.00 H ATOM 784 HG LEU A 103 46.935 8.613 -5.831 1.00 0.00 H ATOM 785 HD21 LEU A 103 48.785 6.427 -4.774 1.00 0.00 H ATOM 786 HD22 LEU A 103 47.275 6.979 -4.009 1.00 0.00 H ATOM 787 HD23 LEU A 103 47.224 6.148 -5.584 1.00 0.00 H ATOM 788 HD11 LEU A 103 48.549 8.984 -7.568 1.00 0.00 H ATOM 789 HD12 LEU A 103 49.533 7.619 -6.986 1.00 0.00 H ATOM 790 HD13 LEU A 103 47.906 7.325 -7.648 1.00 0.00 H ATOM 791 H LEU A 103 46.816 10.871 -4.778 1.00 0.00 H ATOM 792 N LEU A 104 49.072 11.337 -2.449 1.00 31.64 N ATOM 793 CA LEU A 104 49.819 11.966 -1.366 1.00 36.85 C ATOM 794 C LEU A 104 49.057 11.921 -0.051 1.00 36.65 C ATOM 795 O LEU A 104 49.632 11.591 0.979 1.00 35.52 O ATOM 796 CB LEU A 104 50.175 13.407 -1.704 1.00 43.12 C ATOM 797 CG LEU A 104 51.499 13.622 -2.427 1.00 54.47 C ATOM 798 CD1 LEU A 104 51.557 12.796 -3.705 1.00 57.01 C ATOM 799 CD2 LEU A 104 51.685 15.101 -2.723 1.00 57.93 C ATOM 800 HA LEU A 104 50.739 11.393 -1.248 1.00 0.00 H ATOM 801 HB2 LEU A 104 49.382 13.806 -2.336 1.00 0.00 H ATOM 802 HB3 LEU A 104 50.211 13.969 -0.770 1.00 0.00 H ATOM 803 HG LEU A 104 52.313 13.289 -1.784 1.00 0.00 H ATOM 804 HD21 LEU A 104 50.867 15.450 -3.353 1.00 0.00 H ATOM 805 HD22 LEU A 104 51.688 15.660 -1.787 1.00 0.00 H ATOM 806 HD23 LEU A 104 52.633 15.250 -3.240 1.00 0.00 H ATOM 807 HD11 LEU A 104 51.458 11.739 -3.458 1.00 0.00 H ATOM 808 HD12 LEU A 104 50.743 13.093 -4.366 1.00 0.00 H ATOM 809 HD13 LEU A 104 52.511 12.966 -4.203 1.00 0.00 H ATOM 810 H LEU A 104 48.757 11.909 -3.258 1.00 0.00 H ATOM 811 N GLU A 105 47.771 12.258 -0.079 1.00 27.41 N ATOM 812 CA GLU A 105 46.975 12.201 1.140 1.00 33.33 C ATOM 813 C GLU A 105 47.041 10.812 1.752 1.00 32.41 C ATOM 814 O GLU A 105 47.104 10.671 2.970 1.00 31.75 O ATOM 815 CB GLU A 105 45.514 12.604 0.893 1.00 36.07 C ATOM 816 CG GLU A 105 45.314 14.091 0.585 1.00 54.67 C ATOM 817 CD GLU A 105 46.322 15.000 1.307 1.00 66.36 C ATOM 818 OE1 GLU A 105 46.147 15.260 2.525 1.00 58.46 O ATOM 819 OE2 GLU A 105 47.288 15.458 0.649 1.00 61.36 O ATOM 820 HA GLU A 105 47.400 12.921 1.839 1.00 0.00 H ATOM 821 HB2 GLU A 105 45.138 12.027 0.048 1.00 0.00 H ATOM 822 HB3 GLU A 105 44.937 12.359 1.784 1.00 0.00 H ATOM 823 HG2 GLU A 105 45.421 14.240 -0.490 1.00 0.00 H ATOM 824 HG3 GLU A 105 44.308 14.376 0.892 1.00 0.00 H ATOM 825 H GLU A 105 47.333 12.563 -0.972 1.00 0.00 H ATOM 826 N PHE A 106 47.030 9.786 0.904 1.00 31.47 N ATOM 827 CA PHE A 106 47.104 8.417 1.392 1.00 33.24 C ATOM 828 C PHE A 106 48.501 8.095 1.906 1.00 29.12 C ATOM 829 O PHE A 106 48.661 7.691 3.051 1.00 27.65 O ATOM 830 CB PHE A 106 46.696 7.404 0.321 1.00 26.79 C ATOM 831 CG PHE A 106 46.904 5.960 0.741 1.00 30.11 C ATOM 832 CD1 PHE A 106 46.012 5.330 1.599 1.00 27.96 C ATOM 833 CD2 PHE A 106 47.993 5.230 0.270 1.00 26.37 C ATOM 834 CE1 PHE A 106 46.215 3.999 1.977 1.00 27.91 C ATOM 835 CE2 PHE A 106 48.195 3.917 0.641 1.00 14.36 C ATOM 836 CZ PHE A 106 47.312 3.296 1.491 1.00 19.24 C ATOM 837 HA PHE A 106 46.396 8.338 2.217 1.00 0.00 H ATOM 838 HB2 PHE A 106 45.640 7.549 0.094 1.00 0.00 H ATOM 839 HB3 PHE A 106 47.288 7.592 -0.575 1.00 0.00 H ATOM 840 HD2 PHE A 106 48.701 5.707 -0.407 1.00 0.00 H ATOM 841 HE2 PHE A 106 49.057 3.371 0.259 1.00 0.00 H ATOM 842 HZ PHE A 106 47.471 2.258 1.783 1.00 0.00 H ATOM 843 HE1 PHE A 106 45.513 3.512 2.653 1.00 0.00 H ATOM 844 HD1 PHE A 106 45.149 5.876 1.980 1.00 0.00 H ATOM 845 H PHE A 106 46.968 9.965 -0.119 1.00 0.00 H ATOM 846 N ARG A 107 49.507 8.261 1.055 1.00 29.99 N ATOM 847 CA ARG A 107 50.894 8.021 1.473 1.00 42.69 C ATOM 848 C ARG A 107 51.262 8.832 2.728 1.00 44.19 C ATOM 849 O ARG A 107 52.064 8.388 3.550 1.00 40.86 O ATOM 850 CB ARG A 107 51.881 8.277 0.325 1.00 38.18 C ATOM 851 CG ARG A 107 51.741 7.276 -0.828 1.00 49.14 C ATOM 852 CD ARG A 107 52.856 7.393 -1.878 1.00 54.67 C ATOM 853 NE ARG A 107 54.044 6.610 -1.527 1.00 51.01 N ATOM 854 CZ ARG A 107 54.125 5.283 -1.620 1.00 60.81 C ATOM 855 NH1 ARG A 107 53.085 4.566 -2.042 1.00 47.25 N ATOM 856 NH2 ARG A 107 55.250 4.665 -1.279 1.00 69.26 N ATOM 857 HA ARG A 107 50.971 6.967 1.740 1.00 0.00 H ATOM 858 HB2 ARG A 107 51.707 9.280 -0.064 1.00 0.00 H ATOM 859 HB3 ARG A 107 52.895 8.212 0.719 1.00 0.00 H ATOM 860 HG2 ARG A 107 51.760 6.268 -0.414 1.00 0.00 H ATOM 861 HG3 ARG A 107 50.784 7.447 -1.320 1.00 0.00 H ATOM 862 HD2 ARG A 107 53.142 8.441 -1.969 1.00 0.00 H ATOM 863 HD3 ARG A 107 52.474 7.038 -2.835 1.00 0.00 H ATOM 864 HE ARG A 107 54.880 7.124 -1.182 1.00 0.00 H ATOM 865 HH12 ARG A 107 53.160 3.531 -2.110 1.00 0.00 H ATOM 866 HH11 ARG A 107 52.198 5.041 -2.303 1.00 0.00 H ATOM 867 HH22 ARG A 107 55.317 3.630 -1.350 1.00 0.00 H ATOM 868 HH21 ARG A 107 56.064 5.216 -0.941 1.00 0.00 H ATOM 869 H ARG A 107 49.310 8.565 0.080 1.00 0.00 H ATOM 870 N LYS A 108 50.647 10.005 2.868 1.00 41.50 N ATOM 871 CA LYS A 108 50.769 10.839 4.061 1.00 34.78 C ATOM 872 C LYS A 108 50.249 10.145 5.329 1.00 39.47 C ATOM 873 O LYS A 108 50.998 9.961 6.293 1.00 46.22 O ATOM 874 CB LYS A 108 50.025 12.154 3.834 1.00 40.81 C ATOM 875 CG LYS A 108 50.280 13.219 4.862 1.00 41.78 C ATOM 876 CD LYS A 108 50.390 14.577 4.192 1.00 52.43 C ATOM 877 CE LYS A 108 49.105 14.967 3.477 1.00 59.76 C ATOM 878 NZ LYS A 108 47.970 15.136 4.434 1.00 66.40 N ATOM 879 HA LYS A 108 51.830 11.028 4.224 1.00 0.00 H ATOM 880 HB2 LYS A 108 50.322 12.546 2.861 1.00 0.00 H ATOM 881 HB3 LYS A 108 48.956 11.940 3.828 1.00 0.00 H ATOM 882 HG2 LYS A 108 49.457 13.235 5.576 1.00 0.00 H ATOM 883 HG3 LYS A 108 51.210 12.999 5.386 1.00 0.00 H ATOM 884 HD2 LYS A 108 50.612 15.327 4.951 1.00 0.00 H ATOM 885 HD3 LYS A 108 51.202 14.546 3.465 1.00 0.00 H ATOM 886 HE2 LYS A 108 48.849 14.188 2.759 1.00 0.00 H ATOM 887 HE3 LYS A 108 49.265 15.907 2.949 1.00 0.00 H ATOM 888 HZ1 LYS A 108 47.807 14.241 4.938 1.00 0.00 H ATOM 889 HZ2 LYS A 108 48.204 15.883 5.119 1.00 0.00 H ATOM 890 HZ3 LYS A 108 47.112 15.402 3.909 1.00 0.00 H ATOM 891 H LYS A 108 50.049 10.345 2.088 1.00 0.00 H ATOM 892 N LYS A 109 48.973 9.765 5.325 1.00 38.74 N ATOM 893 CA LYS A 109 48.357 9.087 6.470 1.00 35.59 C ATOM 894 C LYS A 109 49.137 7.852 6.911 1.00 41.05 C ATOM 895 O LYS A 109 49.150 7.500 8.096 1.00 44.23 O ATOM 896 CB LYS A 109 46.912 8.691 6.157 1.00 29.71 C ATOM 897 CG LYS A 109 46.351 7.634 7.114 1.00 42.54 C ATOM 898 CD LYS A 109 44.939 7.149 6.727 1.00 52.72 C ATOM 899 CE LYS A 109 44.921 6.342 5.421 1.00 36.13 C ATOM 900 NZ LYS A 109 43.840 5.302 5.398 1.00 43.86 N ATOM 901 HA LYS A 109 48.372 9.802 7.292 1.00 0.00 H ATOM 902 HB2 LYS A 109 46.287 9.582 6.221 1.00 0.00 H ATOM 903 HB3 LYS A 109 46.874 8.294 5.142 1.00 0.00 H ATOM 904 HG2 LYS A 109 47.024 6.776 7.115 1.00 0.00 H ATOM 905 HG3 LYS A 109 46.308 8.062 8.116 1.00 0.00 H ATOM 906 HD2 LYS A 109 44.555 6.520 7.530 1.00 0.00 H ATOM 907 HD3 LYS A 109 44.293 8.019 6.608 1.00 0.00 H ATOM 908 HE2 LYS A 109 45.885 5.846 5.304 1.00 0.00 H ATOM 909 HE3 LYS A 109 44.763 7.028 4.589 1.00 0.00 H ATOM 910 HZ1 LYS A 109 43.985 4.636 6.183 1.00 0.00 H ATOM 911 HZ2 LYS A 109 42.914 5.764 5.501 1.00 0.00 H ATOM 912 HZ3 LYS A 109 43.874 4.788 4.495 1.00 0.00 H ATOM 913 H LYS A 109 48.394 9.955 4.482 1.00 0.00 H ATOM 914 N ILE A 110 49.782 7.191 5.956 1.00 36.94 N ATOM 915 CA ILE A 110 50.532 5.977 6.256 1.00 39.47 C ATOM 916 C ILE A 110 51.862 6.293 6.948 1.00 42.39 C ATOM 917 O ILE A 110 52.309 5.556 7.818 1.00 43.47 O ATOM 918 CB ILE A 110 50.746 5.109 4.997 1.00 38.01 C ATOM 919 CG1 ILE A 110 49.395 4.662 4.417 1.00 29.27 C ATOM 920 CG2 ILE A 110 51.610 3.905 5.332 1.00 31.91 C ATOM 921 CD1 ILE A 110 48.574 3.764 5.350 1.00 25.11 C ATOM 922 HA ILE A 110 49.930 5.394 6.953 1.00 0.00 H ATOM 923 HB ILE A 110 51.260 5.706 4.243 1.00 0.00 H ATOM 924 HG12 ILE A 110 48.807 5.553 4.195 1.00 0.00 H ATOM 925 HG13 ILE A 110 49.584 4.114 3.494 1.00 0.00 H ATOM 926 HD11 ILE A 110 49.141 2.860 5.574 1.00 0.00 H ATOM 927 HD12 ILE A 110 48.363 4.300 6.275 1.00 0.00 H ATOM 928 HD13 ILE A 110 47.637 3.496 4.862 1.00 0.00 H ATOM 929 HG21 ILE A 110 52.578 4.245 5.701 1.00 0.00 H ATOM 930 HG22 ILE A 110 51.117 3.308 6.099 1.00 0.00 H ATOM 931 HG23 ILE A 110 51.753 3.301 4.436 1.00 0.00 H ATOM 932 H ILE A 110 49.752 7.545 4.979 1.00 0.00 H ATOM 933 N ALA A 111 52.488 7.398 6.564 1.00 44.73 N ATOM 934 CA ALA A 111 53.627 7.916 7.305 1.00 41.79 C ATOM 935 C ALA A 111 53.209 8.352 8.730 1.00 45.43 C ATOM 936 O ALA A 111 53.843 7.996 9.725 1.00 39.30 O ATOM 937 CB ALA A 111 54.233 9.074 6.551 1.00 37.01 C ATOM 938 HA ALA A 111 54.371 7.125 7.406 1.00 0.00 H ATOM 939 HB1 ALA A 111 54.562 8.734 5.569 1.00 0.00 H ATOM 940 HB2 ALA A 111 53.487 9.860 6.434 1.00 0.00 H ATOM 941 HB3 ALA A 111 55.087 9.461 7.107 1.00 0.00 H ATOM 942 H ALA A 111 52.158 7.903 5.717 1.00 0.00 H ATOM 943 N GLU A 112 52.132 9.121 8.823 1.00 45.62 N ATOM 944 CA GLU A 112 51.640 9.579 10.119 1.00 50.93 C ATOM 945 C GLU A 112 51.525 8.485 11.196 1.00 55.27 C ATOM 946 O GLU A 112 51.344 8.794 12.374 1.00 64.41 O ATOM 947 CB GLU A 112 50.310 10.331 9.966 1.00 43.20 C ATOM 948 CG GLU A 112 50.474 11.807 9.636 1.00 48.38 C ATOM 949 CD GLU A 112 49.144 12.522 9.426 1.00 68.01 C ATOM 950 OE1 GLU A 112 48.078 11.902 9.657 1.00 61.94 O ATOM 951 OE2 GLU A 112 49.168 13.709 9.026 1.00 68.39 O ATOM 952 HA GLU A 112 52.409 10.260 10.485 1.00 0.00 H ATOM 953 HB2 GLU A 112 49.739 9.861 9.165 1.00 0.00 H ATOM 954 HB3 GLU A 112 49.758 10.247 10.902 1.00 0.00 H ATOM 955 HG2 GLU A 112 51.003 12.290 10.458 1.00 0.00 H ATOM 956 HG3 GLU A 112 51.064 11.896 8.724 1.00 0.00 H ATOM 957 H GLU A 112 51.629 9.403 7.957 1.00 0.00 H ATOM 958 N ASN A 113 51.627 7.215 10.814 1.00 54.41 N ATOM 959 CA ASN A 113 51.595 6.134 11.807 1.00 52.62 C ATOM 960 C ASN A 113 52.547 4.973 11.492 1.00 54.85 C ATOM 961 O ASN A 113 52.472 3.905 12.105 1.00 44.31 O ATOM 962 CB ASN A 113 50.161 5.634 12.033 1.00 44.76 C ATOM 963 CG ASN A 113 49.235 5.940 10.858 1.00 50.59 C ATOM 964 OD1 ASN A 113 48.433 6.874 10.908 1.00 51.45 O ATOM 965 ND2 ASN A 113 49.341 5.149 9.798 1.00 48.90 N ATOM 966 HA ASN A 113 51.963 6.571 12.735 1.00 0.00 H ATOM 967 HB2 ASN A 113 50.188 4.555 12.184 1.00 0.00 H ATOM 968 HB3 ASN A 113 49.761 6.114 12.926 1.00 0.00 H ATOM 969 HD22 ASN A 113 50.031 4.371 9.797 1.00 0.00 H ATOM 970 HD21 ASN A 113 48.734 5.307 8.969 1.00 0.00 H ATOM 971 H ASN A 113 51.730 6.986 9.805 1.00 0.00 H ATOM 972 N LYS A 114 53.454 5.202 10.545 1.00 49.53 N ATOM 973 CA LYS A 114 54.375 4.169 10.089 1.00 41.95 C ATOM 974 C LYS A 114 55.483 3.941 11.107 1.00 63.29 C ATOM 975 O LYS A 114 56.663 3.851 10.752 1.00 71.93 O ATOM 976 CB LYS A 114 54.973 4.566 8.740 1.00 43.11 C ATOM 977 CG LYS A 114 55.585 3.418 7.945 1.00 45.13 C ATOM 978 CD LYS A 114 56.057 3.912 6.578 1.00 46.28 C ATOM 979 CE LYS A 114 56.937 2.897 5.871 1.00 49.06 C ATOM 980 NZ LYS A 114 57.570 3.509 4.672 1.00 43.70 N ATOM 981 HA LYS A 114 53.821 3.237 9.976 1.00 0.00 H ATOM 982 HB2 LYS A 114 54.182 5.012 8.137 1.00 0.00 H ATOM 983 HB3 LYS A 114 55.752 5.307 8.920 1.00 0.00 H ATOM 984 HG2 LYS A 114 56.435 3.013 8.494 1.00 0.00 H ATOM 985 HG3 LYS A 114 54.837 2.637 7.807 1.00 0.00 H ATOM 986 HD2 LYS A 114 55.184 4.113 5.957 1.00 0.00 H ATOM 987 HD3 LYS A 114 56.624 4.833 6.714 1.00 0.00 H ATOM 988 HE2 LYS A 114 56.329 2.047 5.562 1.00 0.00 H ATOM 989 HE3 LYS A 114 57.715 2.557 6.555 1.00 0.00 H ATOM 990 HZ1 LYS A 114 56.829 3.832 4.017 1.00 0.00 H ATOM 991 HZ2 LYS A 114 58.153 4.319 4.965 1.00 0.00 H ATOM 992 HZ3 LYS A 114 58.169 2.802 4.199 1.00 0.00 H ATOM 993 H LYS A 114 53.507 6.148 10.117 1.00 0.00 H TER 994 LYS A 114 HETATM 995 O HOH 1 33.840 3.071 -4.578 1.00 13.51 O HETATM 996 O HOH 2 33.427 7.775 1.059 1.00 24.95 O HETATM 997 O HOH 3 52.441 -11.386 -6.109 1.00 33.64 O HETATM 998 O HOH 4 44.700 8.846 -13.471 1.00 30.50 O HETATM 999 O HOH 5 54.989 -8.982 -5.855 1.00 38.96 O HETATM 1000 O HOH 6 43.385 9.627 -0.328 1.00 31.99 O HETATM 1001 O HOH 7 49.719 -8.742 -1.772 1.00 24.87 O HETATM 1002 O HOH 8 55.017 2.597 -3.016 1.00 32.71 O HETATM 1003 O HOH 9 43.425 -8.047 -2.156 1.00 30.75 O HETATM 1004 O HOH 10 35.893 10.333 2.925 1.00 33.94 O HETATM 1005 O HOH 11 58.553 1.873 10.983 1.00 52.71 O HETATM 1006 O HOH 12 50.519 -1.779 -11.191 1.00 29.52 O HETATM 1007 O HOH 13 42.235 -3.798 2.199 1.00 35.75 O HETATM 1008 O HOH 14 33.778 -4.203 -5.499 1.00 37.11 O HETATM 1009 O HOH 15 43.185 8.530 3.307 1.00 35.48 O HETATM 1010 O HOH 16 39.620 -0.312 2.773 1.00 28.12 O HETATM 1011 O HOH 17 41.802 3.204 5.259 1.00 47.09 O HETATM 1012 O HOH 18 40.010 -7.201 -0.851 1.00 28.81 O HETATM 1013 O HOH 19 43.264 -7.945 -7.438 1.00 31.05 O HETATM 1014 O HOH 20 33.780 4.504 -20.566 1.00 59.96 O HETATM 1015 O HOH 21 41.794 12.271 -19.778 1.00 49.02 O HETATM 1016 O HOH 22 30.692 3.101 1.948 1.00 26.07 O HETATM 1017 O HOH 23 44.665 7.576 -16.075 1.00 46.37 O HETATM 1018 O HOH 24 42.012 14.485 -14.054 1.00 35.38 O HETATM 1019 O HOH 25 42.974 -3.790 -14.161 1.00 24.97 O HETATM 1020 O HOH 26 41.170 16.402 0.527 1.00 46.16 O HETATM 1021 N ALA A 27 39.462 20.287 -5.961 1.00 0.24 N HETATM 1022 CA ALA A 27 39.921 20.181 -4.581 1.00 0.06 C HETATM 1023 C ALA A 27 41.163 19.292 -4.442 1.00 0.23 C HETATM 1024 O ALA A 27 41.087 18.197 -3.881 1.00 -0.39 O HETATM 1025 N ALA A 27 42.306 19.761 -4.941 1.00 -0.26 N HETATM 1026 CA ALA A 27 42.410 21.055 -5.611 1.00 0.13 C HETATM 1027 C ALA A 27 42.087 20.924 -7.104 1.00 0.20 C HETATM 1028 O ALA A 27 41.233 21.640 -7.638 1.00 -0.39 O HETATM 1029 N ALA A 27 42.780 20.003 -7.768 1.00 -0.26 N HETATM 1030 CA ALA A 27 42.497 19.658 -9.157 1.00 0.16 C HETATM 1031 C ALA A 27 41.603 18.418 -9.194 1.00 0.21 C HETATM 1032 O ALA A 27 41.380 17.775 -8.165 1.00 -0.39 O HETATM 1033 N ALA A 27 41.076 18.099 -10.371 1.00 -0.26 N HETATM 1034 CA ALA A 27 40.162 16.980 -10.515 1.00 0.13 C HETATM 1035 C ALA A 27 40.950 15.680 -10.413 1.00 0.20 C HETATM 1036 O ALA A 27 41.892 15.464 -11.172 1.00 -0.39 O HETATM 1037 N ALA A 27 40.576 14.828 -9.460 1.00 -0.26 N HETATM 1038 CA ALA A 27 41.269 13.565 -9.245 1.00 0.13 C HETATM 1039 C ALA A 27 40.524 12.431 -9.944 1.00 0.20 C HETATM 1040 O ALA A 27 39.473 11.988 -9.479 1.00 -0.39 O HETATM 1041 N ALA A 27 41.063 11.967 -11.066 1.00 -0.26 N HETATM 1042 CA ALA A 27 40.405 10.919 -11.843 1.00 0.16 C HETATM 1043 C ALA A 27 41.329 9.726 -12.158 1.00 0.21 C HETATM 1044 O ALA A 27 42.539 9.797 -11.962 1.00 -0.39 O HETATM 1045 N ALA A 27 40.739 8.639 -12.650 1.00 -0.26 N HETATM 1046 CA ALA A 27 41.429 7.361 -12.796 1.00 0.13 C HETATM 1047 C ALA A 27 40.574 6.389 -13.590 1.00 0.20 C HETATM 1048 O ALA A 27 39.341 6.497 -13.582 1.00 -0.39 O HETATM 1049 N ALA A 27 41.216 5.431 -14.265 1.00 -0.26 N HETATM 1050 CA ALA A 27 40.512 4.396 -15.009 1.00 0.13 C HETATM 1051 C ALA A 27 39.948 3.353 -14.024 1.00 0.20 C HETATM 1052 O ALA A 27 40.641 2.934 -13.114 1.00 -0.39 O HETATM 1053 N ALA A 27 38.702 2.939 -14.204 1.00 -0.26 N HETATM 1054 CA ALA A 27 38.099 1.977 -13.301 1.00 0.13 C HETATM 1055 CB ALA A 27 36.724 2.489 -12.902 1.00 -0.01 C HETATM 1056 CG ALA A 27 35.863 1.364 -12.245 1.00 -0.04 C HETATM 1057 CD ALA A 27 34.809 1.925 -11.299 1.00 -0.01 C HETATM 1058 CE ALA A 27 33.623 2.475 -12.078 1.00 -0.03 C HETATM 1059 NZ ALA A 27 32.564 2.981 -11.224 1.00 0.24 N HETATM 1060 CM1 ALA A 27 32.324 2.066 -10.109 1.00 -0.04 C HETATM 1061 H ALA A 27 32.031 1.091 -10.498 1.00 0.08 H HETATM 1062 H ALA A 27 33.236 1.965 -9.521 1.00 0.08 H HETATM 1063 H ALA A 27 31.527 2.463 -9.480 1.00 0.08 H HETATM 1064 CM2 ALA A 27 31.317 3.061 -11.958 1.00 -0.04 C HETATM 1065 H ALA A 27 31.439 3.732 -12.808 1.00 0.08 H HETATM 1066 H ALA A 27 31.042 2.068 -12.314 1.00 0.08 H HETATM 1067 H ALA A 27 30.535 3.442 -11.302 1.00 0.08 H HETATM 1068 CM3 ALA A 27 32.916 4.297 -10.750 1.00 -0.04 C HETATM 1069 H ALA A 27 33.845 4.241 -10.183 1.00 0.08 H HETATM 1070 H ALA A 27 33.048 4.965 -11.601 1.00 0.08 H HETATM 1071 H ALA A 27 32.120 4.676 -10.109 1.00 0.08 H HETATM 1072 H ALA A 27 33.209 1.659 -12.670 1.00 0.08 H HETATM 1073 H ALA A 27 33.983 3.305 -12.685 1.00 0.08 H HETATM 1074 H ALA A 27 35.253 2.733 -10.717 1.00 0.03 H HETATM 1075 H ALA A 27 34.461 1.125 -10.646 1.00 0.03 H HETATM 1076 H ALA A 27 36.528 0.721 -11.669 1.00 0.03 H HETATM 1077 H ALA A 27 35.351 0.821 -13.039 1.00 0.03 H HETATM 1078 H ALA A 27 36.211 2.837 -13.799 1.00 0.03 H HETATM 1079 H ALA A 27 36.852 3.293 -12.178 1.00 0.03 H HETATM 1080 C ALA A 27 38.117 0.584 -13.945 1.00 0.20 C HETATM 1081 O ALA A 27 37.750 0.432 -15.123 1.00 -0.39 O HETATM 1082 N ALA A 27 38.540 -0.421 -13.195 1.00 -0.26 N HETATM 1083 CA ALA A 27 38.646 -1.786 -13.714 1.00 0.15 C HETATM 1084 C ALA A 27 37.333 -2.553 -13.632 1.00 0.21 C HETATM 1085 O ALA A 27 36.688 -2.591 -12.595 1.00 -0.39 O HETATM 1086 N ALA A 27 36.959 -3.180 -14.740 1.00 -0.26 N HETATM 1087 CA ALA A 27 35.722 -3.928 -14.831 1.00 0.16 C HETATM 1088 C ALA A 27 35.987 -5.433 -14.928 1.00 0.21 C HETATM 1089 O ALA A 27 35.098 -6.247 -14.682 1.00 -0.39 O HETATM 1090 N ALA A 27 37.218 -5.806 -15.260 1.00 -0.27 N HETATM 1091 CA ALA A 27 37.583 -7.212 -15.313 1.00 0.12 C HETATM 1092 C ALA A 27 38.356 -7.647 -14.083 1.00 0.20 C HETATM 1093 O ALA A 27 38.317 -6.980 -13.058 1.00 -0.39 O HETATM 1094 N ALA A 27 39.062 -8.767 -14.182 1.00 -0.27 N HETATM 1095 CA ALA A 27 39.884 -9.248 -13.091 1.00 0.12 C HETATM 1096 C ALA A 27 40.066 -10.745 -13.175 1.00 0.20 C HETATM 1097 O ALA A 27 39.327 -11.424 -13.871 1.00 -0.39 O HETATM 1098 N ALA A 27 41.053 -11.265 -12.462 1.00 -0.26 N HETATM 1099 CA ALA A 27 41.351 -12.694 -12.487 1.00 0.13 C HETATM 1100 C ALA A 27 40.089 -13.553 -12.401 1.00 0.20 C HETATM 1101 O ALA A 27 39.233 -13.313 -11.565 1.00 -0.39 O HETATM 1102 N ALA A 27 39.970 -14.555 -13.265 1.00 -0.27 N HETATM 1103 CA ALA A 27 38.939 -15.565 -13.081 1.00 0.09 C HETATM 1104 C ALA A 27 39.474 -16.694 -12.217 1.00 0.06 C HETATM 1105 O ALA A 27 39.025 -16.888 -11.090 1.00 -0.57 O HETATM 1106 O1 ALA A 27 40.388 -17.439 -12.661 1.00 -0.57 O HETATM 1107 CB ALA A 27 38.464 -16.103 -14.398 1.00 -0.03 C HETATM 1108 H ALA A 27 38.051 -15.289 -14.994 1.00 0.03 H HETATM 1109 H ALA A 27 39.303 -16.554 -14.928 1.00 0.03 H HETATM 1110 H ALA A 27 37.694 -16.855 -14.225 1.00 0.03 H HETATM 1111 H ALA A 27 38.089 -15.099 -12.583 1.00 0.07 H HETATM 1112 H ALA A 27 40.605 -14.617 -14.061 1.00 0.19 H HETATM 1113 CB ALA A 27 42.279 -13.050 -11.321 1.00 -0.01 C HETATM 1114 CG ALA A 27 41.606 -12.921 -9.951 1.00 -0.04 C HETATM 1115 CD ALA A 27 42.485 -13.439 -8.805 1.00 -0.01 C HETATM 1116 CE ALA A 27 41.912 -13.071 -7.419 1.00 -0.04 C HETATM 1117 NZ ALA A 27 40.571 -13.680 -7.122 1.00 0.22 N HETATM 1118 H ALA A 27 40.265 -13.389 -6.193 1.00 0.20 H HETATM 1119 H ALA A 27 39.895 -13.366 -7.818 1.00 0.20 H HETATM 1120 H ALA A 27 40.646 -14.697 -7.154 1.00 0.20 H HETATM 1121 H ALA A 27 41.783 -11.989 -7.402 1.00 0.08 H HETATM 1122 H ALA A 27 42.609 -13.452 -6.673 1.00 0.08 H HETATM 1123 H ALA A 27 43.469 -12.980 -8.898 1.00 0.03 H HETATM 1124 H ALA A 27 42.530 -14.526 -8.876 1.00 0.03 H HETATM 1125 H ALA A 27 40.695 -13.519 -9.969 1.00 0.03 H HETATM 1126 H ALA A 27 41.414 -11.863 -9.772 1.00 0.03 H HETATM 1127 H ALA A 27 43.118 -12.354 -11.343 1.00 0.03 H HETATM 1128 H ALA A 27 42.579 -14.091 -11.444 1.00 0.03 H HETATM 1129 H ALA A 27 41.835 -12.905 -13.441 1.00 0.08 H HETATM 1130 H ALA A 27 41.621 -10.650 -11.879 1.00 0.19 H HETATM 1131 H ALA A 27 39.393 -9.006 -12.148 1.00 0.08 H HETATM 1132 H ALA A 27 40.862 -8.771 -13.152 1.00 0.08 H HETATM 1133 H ALA A 27 39.025 -9.303 -15.049 1.00 0.19 H HETATM 1134 H ALA A 27 38.218 -7.366 -16.186 1.00 0.08 H HETATM 1135 H ALA A 27 36.666 -7.800 -15.364 1.00 0.08 H HETATM 1136 H ALA A 27 37.916 -5.096 -15.481 1.00 0.19 H HETATM 1137 CB ALA A 27 34.895 -3.427 -16.024 1.00 0.09 C HETATM 1138 OG1 ALA A 27 35.746 -3.300 -17.165 1.00 -0.39 O HETATM 1139 H ALA A 27 35.232 -2.987 -17.913 1.00 0.21 H HETATM 1140 CG2 ALA A 27 34.353 -2.054 -15.714 1.00 -0.03 C HETATM 1141 H ALA A 27 33.721 -2.106 -14.827 1.00 0.03 H HETATM 1142 H ALA A 27 35.182 -1.370 -15.531 1.00 0.03 H HETATM 1143 H ALA A 27 33.766 -1.697 -16.560 1.00 0.03 H HETATM 1144 H ALA A 27 34.085 -4.131 -16.216 1.00 0.06 H HETATM 1145 H ALA A 27 35.149 -3.764 -13.919 1.00 0.08 H HETATM 1146 H ALA A 27 37.566 -3.134 -15.559 1.00 0.19 H HETATM 1147 CB ALA A 27 39.744 -2.560 -12.985 1.00 0.08 C HETATM 1148 OG ALA A 27 41.016 -2.008 -13.289 1.00 -0.39 O HETATM 1149 H ALA A 27 41.040 -1.089 -13.011 1.00 0.21 H HETATM 1150 H ALA A 27 39.721 -3.601 -13.306 1.00 0.06 H HETATM 1151 H ALA A 27 39.574 -2.494 -11.910 1.00 0.06 H HETATM 1152 H ALA A 27 38.904 -1.693 -14.769 1.00 0.08 H HETATM 1153 H ALA A 27 38.800 -0.239 -12.226 1.00 0.19 H HETATM 1154 H ALA A 27 38.665 1.868 -12.376 1.00 0.08 H HETATM 1155 H ALA A 27 38.160 3.302 -14.988 1.00 0.19 H HETATM 1156 CB ALA A 27 41.488 3.763 -16.013 1.00 -0.01 C HETATM 1157 CG ALA A 27 40.852 3.189 -17.281 1.00 -0.02 C HETATM 1158 CD ALA A 27 41.895 3.003 -18.379 1.00 0.06 C HETATM 1159 NE ALA A 27 42.412 4.282 -18.864 1.00 -0.27 N HETATM 1160 CZ ALA A 27 41.974 4.893 -19.962 1.00 0.29 C HETATM 1161 NH1 ALA A 27 41.013 4.342 -20.688 1.00 -0.28 N HETATM 1162 H ALA A 27 40.609 3.449 -20.405 1.00 0.26 H HETATM 1163 H ALA A 27 40.677 4.810 -21.530 1.00 0.26 H HETATM 1164 NH2 ALA A 27 42.499 6.051 -20.339 1.00 -0.28 N HETATM 1165 H ALA A 27 43.242 6.478 -19.786 1.00 0.26 H HETATM 1166 H ALA A 27 42.159 6.515 -21.182 1.00 0.26 H HETATM 1167 H ALA A 27 43.153 4.733 -18.328 1.00 0.26 H HETATM 1168 H ALA A 27 41.422 2.487 -19.215 1.00 0.07 H HETATM 1169 H ALA A 27 42.727 2.433 -17.966 1.00 0.07 H HETATM 1170 H ALA A 27 40.090 3.884 -17.636 1.00 0.03 H HETATM 1171 H ALA A 27 40.415 2.219 -17.045 1.00 0.03 H HETATM 1172 H ALA A 27 41.962 2.927 -15.499 1.00 0.03 H HETATM 1173 H ALA A 27 42.159 4.559 -16.336 1.00 0.03 H HETATM 1174 H ALA A 27 39.673 4.817 -15.563 1.00 0.08 H HETATM 1175 H ALA A 27 42.236 5.425 -14.259 1.00 0.19 H HETATM 1176 CB ALA A 27 41.720 6.772 -11.419 1.00 -0.02 C HETATM 1177 H ALA A 27 42.350 7.461 -10.856 1.00 0.03 H HETATM 1178 H ALA A 27 40.782 6.617 -10.886 1.00 0.03 H HETATM 1179 H ALA A 27 42.235 5.818 -11.535 1.00 0.03 H HETATM 1180 H ALA A 27 42.366 7.528 -13.328 1.00 0.08 H HETATM 1181 H ALA A 27 39.762 8.702 -12.938 1.00 0.19 H HETATM 1182 CB ALA A 27 39.749 11.490 -13.143 1.00 0.09 C HETATM 1183 OG1 ALA A 27 40.759 11.832 -14.100 1.00 -0.39 O HETATM 1184 H ALA A 27 41.342 12.496 -13.725 1.00 0.21 H HETATM 1185 CG2 ALA A 27 38.890 12.731 -12.827 1.00 -0.03 C HETATM 1186 H ALA A 27 38.101 12.456 -12.127 1.00 0.03 H HETATM 1187 H ALA A 27 39.519 13.503 -12.383 1.00 0.03 H HETATM 1188 H ALA A 27 38.446 13.108 -13.748 1.00 0.03 H HETATM 1189 H ALA A 27 39.103 10.718 -13.562 1.00 0.06 H HETATM 1190 H ALA A 27 39.610 10.530 -11.207 1.00 0.08 H HETATM 1191 H ALA A 27 41.951 12.349 -11.391 1.00 0.19 H HETATM 1192 CB ALA A 27 41.388 13.277 -7.748 1.00 0.00 C HETATM 1193 CG ALA A 27 42.148 14.334 -6.974 1.00 0.04 C HETATM 1194 CD ALA A 27 43.557 14.495 -7.480 1.00 0.17 C HETATM 1195 OE1 ALA A 27 44.322 13.530 -7.545 1.00 -0.40 O HETATM 1196 NE2 ALA A 27 43.908 15.716 -7.864 1.00 -0.30 N HETATM 1197 H ALA A 27 44.844 15.886 -8.231 1.00 0.18 H HETATM 1198 H ALA A 27 43.241 16.485 -7.792 1.00 0.18 H HETATM 1199 H ALA A 27 42.193 14.027 -5.929 1.00 0.05 H HETATM 1200 H ALA A 27 41.630 15.285 -7.096 1.00 0.05 H HETATM 1201 H ALA A 27 41.938 12.342 -7.642 1.00 0.03 H HETATM 1202 H ALA A 27 40.376 13.246 -7.344 1.00 0.03 H HETATM 1203 H ALA A 27 42.271 13.638 -9.667 1.00 0.08 H HETATM 1204 H ALA A 27 39.783 15.066 -8.865 1.00 0.19 H HETATM 1205 CB ALA A 27 39.428 17.071 -11.853 1.00 -0.01 C HETATM 1206 CG ALA A 27 38.888 18.463 -12.160 1.00 -0.04 C HETATM 1207 CD ALA A 27 38.129 19.028 -10.962 1.00 -0.01 C HETATM 1208 CE ALA A 27 38.672 20.395 -10.522 1.00 -0.04 C HETATM 1209 NZ ALA A 27 38.344 21.481 -11.488 1.00 0.22 N HETATM 1210 H ALA A 27 38.727 22.363 -11.148 1.00 0.20 H HETATM 1211 H ALA A 27 38.751 21.260 -12.397 1.00 0.20 H HETATM 1212 H ALA A 27 37.331 21.560 -11.578 1.00 0.20 H HETATM 1213 H ALA A 27 39.758 20.320 -10.459 1.00 0.08 H HETATM 1214 H ALA A 27 38.212 20.646 -9.566 1.00 0.08 H HETATM 1215 H ALA A 27 38.245 18.334 -10.130 1.00 0.03 H HETATM 1216 H ALA A 27 37.086 19.155 -11.251 1.00 0.03 H HETATM 1217 H ALA A 27 38.206 18.396 -13.008 1.00 0.03 H HETATM 1218 H ALA A 27 39.726 19.122 -12.387 1.00 0.03 H HETATM 1219 H ALA A 27 38.576 16.393 -11.805 1.00 0.03 H HETATM 1220 H ALA A 27 40.143 16.818 -12.636 1.00 0.03 H HETATM 1221 H ALA A 27 39.416 17.006 -9.721 1.00 0.08 H HETATM 1222 H ALA A 27 41.319 18.653 -11.192 1.00 0.19 H HETATM 1223 CB ALA A 27 43.801 19.415 -9.951 1.00 0.09 C HETATM 1224 OG1 ALA A 27 44.568 20.625 -9.972 1.00 -0.39 O HETATM 1225 H ALA A 27 45.379 20.480 -10.464 1.00 0.21 H HETATM 1226 CG2 ALA A 27 43.506 19.000 -11.382 1.00 -0.03 C HETATM 1227 H ALA A 27 42.924 18.078 -11.379 1.00 0.03 H HETATM 1228 H ALA A 27 42.939 19.788 -11.878 1.00 0.03 H HETATM 1229 H ALA A 27 44.444 18.837 -11.912 1.00 0.03 H HETATM 1230 H ALA A 27 44.354 18.613 -9.463 1.00 0.06 H HETATM 1231 H ALA A 27 41.980 20.493 -9.630 1.00 0.08 H HETATM 1232 H ALA A 27 43.539 19.519 -7.287 1.00 0.19 H HETATM 1233 CB ALA A 27 43.805 21.634 -5.410 1.00 -0.02 C HETATM 1234 H ALA A 27 44.540 20.976 -5.873 1.00 0.03 H HETATM 1235 H ALA A 27 43.857 22.621 -5.870 1.00 0.03 H HETATM 1236 H ALA A 27 44.012 21.718 -4.343 1.00 0.03 H HETATM 1237 H ALA A 27 41.681 21.735 -5.170 1.00 0.08 H HETATM 1238 H ALA A 27 43.147 19.191 -4.851 1.00 0.19 H HETATM 1239 CB ALA A 27 38.795 19.663 -3.691 1.00 -0.00 C HETATM 1240 H ALA A 27 38.539 18.645 -3.986 1.00 0.03 H HETATM 1241 H ALA A 27 39.123 19.670 -2.651 1.00 0.03 H HETATM 1242 H ALA A 27 37.921 20.305 -3.802 1.00 0.03 H HETATM 1243 H ALA A 27 40.208 21.182 -4.259 1.00 0.11 H HETATM 1244 H ALA A 27 40.223 20.634 -6.545 1.00 0.20 H HETATM 1245 H ALA A 27 39.169 19.368 -6.292 1.00 0.20 H HETATM 1246 H ALA A 27 38.674 20.933 -6.007 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1021 1022 1244 1245 1246 CONECT 1022 1021 1023 1239 1243 CONECT 1023 1022 1024 1025 CONECT 1024 1023 CONECT 1025 1023 1026 1238 CONECT 1026 1025 1027 1233 1237 CONECT 1027 1026 1028 1029 CONECT 1028 1027 CONECT 1029 1027 1030 1232 CONECT 1030 1029 1031 1223 1231 CONECT 1031 1030 1032 1033 CONECT 1032 1031 CONECT 1033 1031 1034 1222 CONECT 1034 1033 1035 1205 1221 CONECT 1035 1034 1036 1037 CONECT 1036 1035 CONECT 1037 1035 1038 1204 CONECT 1038 1037 1039 1192 1203 CONECT 1039 1038 1040 1041 CONECT 1040 1039 CONECT 1041 1039 1042 1191 CONECT 1042 1041 1043 1182 1190 CONECT 1043 1042 1044 1045 CONECT 1044 1043 CONECT 1045 1043 1046 1181 CONECT 1046 1045 1047 1176 1180 CONECT 1047 1046 1048 1049 CONECT 1048 1047 CONECT 1049 1047 1050 1175 CONECT 1050 1049 1051 1156 1174 CONECT 1051 1050 1052 1053 CONECT 1052 1051 CONECT 1053 1051 1054 1155 CONECT 1054 1053 1055 1080 1154 CONECT 1055 1054 1056 1078 1079 CONECT 1056 1055 1057 1076 1077 CONECT 1057 1056 1058 1074 1075 CONECT 1058 1057 1059 1072 1073 CONECT 1059 1058 1060 1064 1068 CONECT 1060 1059 1061 1062 1063 CONECT 1061 1060 CONECT 1062 1060 CONECT 1063 1060 CONECT 1064 1059 1065 1066 1067 CONECT 1065 1064 CONECT 1066 1064 CONECT 1067 1064 CONECT 1068 1059 1069 1070 1071 CONECT 1069 1068 CONECT 1070 1068 CONECT 1071 1068 CONECT 1072 1058 CONECT 1073 1058 CONECT 1074 1057 CONECT 1075 1057 CONECT 1076 1056 CONECT 1077 1056 CONECT 1078 1055 CONECT 1079 1055 CONECT 1080 1054 1081 1082 CONECT 1081 1080 CONECT 1082 1080 1083 1153 CONECT 1083 1082 1084 1147 1152 CONECT 1084 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 1087 1146 CONECT 1087 1086 1088 1137 1145 CONECT 1088 1087 1089 1090 CONECT 1089 1088 CONECT 1090 1088 1091 1136 CONECT 1091 1090 1092 1134 1135 CONECT 1092 1091 1093 1094 CONECT 1093 1092 CONECT 1094 1092 1095 1133 CONECT 1095 1094 1096 1131 1132 CONECT 1096 1095 1097 1098 CONECT 1097 1096 CONECT 1098 1096 1099 1130 CONECT 1099 1098 1100 1113 1129 CONECT 1100 1099 1101 1102 CONECT 1101 1100 CONECT 1102 1100 1103 1112 CONECT 1103 1102 1104 1107 1111 CONECT 1104 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 CONECT 1107 1103 1108 1109 1110 CONECT 1108 1107 CONECT 1109 1107 CONECT 1110 1107 CONECT 1111 1103 CONECT 1112 1102 CONECT 1113 1099 1114 1127 1128 CONECT 1114 1113 1115 1125 1126 CONECT 1115 1114 1116 1123 1124 CONECT 1116 1115 1117 1121 1122 CONECT 1117 1116 1118 1119 1120 CONECT 1118 1117 CONECT 1119 1117 CONECT 1120 1117 CONECT 1121 1116 CONECT 1122 1116 CONECT 1123 1115 CONECT 1124 1115 CONECT 1125 1114 CONECT 1126 1114 CONECT 1127 1113 CONECT 1128 1113 CONECT 1129 1099 CONECT 1130 1098 CONECT 1131 1095 CONECT 1132 1095 CONECT 1133 1094 CONECT 1134 1091 CONECT 1135 1091 CONECT 1136 1090 CONECT 1137 1087 1138 1140 1144 CONECT 1138 1137 1139 CONECT 1139 1138 CONECT 1140 1137 1141 1142 1143 CONECT 1141 1140 CONECT 1142 1140 CONECT 1143 1140 CONECT 1144 1137 CONECT 1145 1087 CONECT 1146 1086 CONECT 1147 1083 1148 1150 1151 CONECT 1148 1147 1149 CONECT 1149 1148 CONECT 1150 1147 CONECT 1151 1147 CONECT 1152 1083 CONECT 1153 1082 CONECT 1154 1054 CONECT 1155 1053 CONECT 1156 1050 1157 1172 1173 CONECT 1157 1156 1158 1170 1171 CONECT 1158 1157 1159 1168 1169 CONECT 1159 1158 1160 1167 CONECT 1160 1159 1161 1164 CONECT 1161 1160 1162 1163 CONECT 1162 1161 CONECT 1163 1161 CONECT 1164 1160 1165 1166 CONECT 1165 1164 CONECT 1166 1164 CONECT 1167 1159 CONECT 1168 1158 CONECT 1169 1158 CONECT 1170 1157 CONECT 1171 1157 CONECT 1172 1156 CONECT 1173 1156 CONECT 1174 1050 CONECT 1175 1049 CONECT 1176 1046 1177 1178 1179 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1176 CONECT 1180 1046 CONECT 1181 1045 CONECT 1182 1042 1183 1185 1189 CONECT 1183 1182 1184 CONECT 1184 1183 CONECT 1185 1182 1186 1187 1188 CONECT 1186 1185 CONECT 1187 1185 CONECT 1188 1185 CONECT 1189 1182 CONECT 1190 1042 CONECT 1191 1041 CONECT 1192 1038 1193 1201 1202 CONECT 1193 1192 1194 1199 1200 CONECT 1194 1193 1195 1196 CONECT 1195 1194 CONECT 1196 1194 1197 1198 CONECT 1197 1196 CONECT 1198 1196 CONECT 1199 1193 CONECT 1200 1193 CONECT 1201 1192 CONECT 1202 1192 CONECT 1203 1038 CONECT 1204 1037 CONECT 1205 1034 1206 1219 1220 CONECT 1206 1205 1207 1217 1218 CONECT 1207 1206 1208 1215 1216 CONECT 1208 1207 1209 1213 1214 CONECT 1209 1208 1210 1211 1212 CONECT 1210 1209 CONECT 1211 1209 CONECT 1212 1209 CONECT 1213 1208 CONECT 1214 1208 CONECT 1215 1207 CONECT 1216 1207 CONECT 1217 1206 CONECT 1218 1206 CONECT 1219 1205 CONECT 1220 1205 CONECT 1221 1034 CONECT 1222 1033 CONECT 1223 1030 1224 1226 1230 CONECT 1224 1223 1225 CONECT 1225 1224 CONECT 1226 1223 1227 1228 1229 CONECT 1227 1226 CONECT 1228 1226 CONECT 1229 1226 CONECT 1230 1223 CONECT 1231 1030 CONECT 1232 1029 CONECT 1233 1026 1234 1235 1236 CONECT 1234 1233 CONECT 1235 1233 CONECT 1236 1233 CONECT 1237 1026 CONECT 1238 1025 CONECT 1239 1022 1240 1241 1242 CONECT 1240 1239 CONECT 1241 1239 CONECT 1242 1239 CONECT 1243 1022 CONECT 1244 1021 CONECT 1245 1021 CONECT 1246 1021 MASTER 0 0 0 0 0 0 0 0 1245 1 230 5 END
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Related entries of code: 3qo2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3r93
RCSB PDB
PDBbind
62aa, >3R93_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1a37
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RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
3qo2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M-phase phosphoprotein 8
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.49(Å)
Affinity (Kd/Ki/IC50)
Kd=0.14uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Mol.Biol. Vol. 408: pp. 807-814
Ligand Properties
Formula
C
6
3
H
1
2
1
N
2
2
O
2
1
Molecular Weight
1522.770
Exact Mass
1521.910
No. of atoms
227
No. of bonds
226
Polar Surface Area
717.64
LOGP Value
-9.34 (
Computed with XLOGP3
)
-8.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 70
No. of Nitrogen and Oxygen Atoms: 43
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CCCC[NH3+])[C@H](O)C)CO)CCCC[N+](C)(C)C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)C
InChI String
InChI=1S/C63H116N22O21/c1-31(66)50(93)73-33(3)52(95)82-49(37(7)89)61(104)80-40(19-12-15-25-65)54(97)79-42(22-23-44(67)90)57(100)84-48(36(6)88)60(103)74-32(2)51(94)77-41(21-17-26-70-63(68)69)55(98)78-39(20-13-16-27-85(8,9)10)56(99)81-43(30-86)58(101)83-47(35(5)87)59(102)72-28-45(91)71-29-46(92)76-38(18-11-14-24-64)53(96)75-34(4)62(105)106/h31-43,47-49,86-89H,11-30,64-66H2,1-10H3,(H20-,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106)/p+5/t31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41-,42-,43-,47-,48-,49-/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):
Q99549
Q71DI3
Entrez Gene ID
NCBI Entrez Gene ID:
54737
126961
333932
653604
ASD
Information of known allosteric effects of PDB entries
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