Browse entries in the PDBbind-CN Database
HEADER 4A4G_COMPLEX COMPND 4A4G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 64 ASN THR ALA ALA SER LEU GLN GLN TRP LYS VAL GLY ASP SEQRES 2 A 64 LYS CYS SER ALA ILE TRP SER GLU ASP GLY CYS ILE TYR SEQRES 3 A 64 PRO ALA THR ILE ALA SER ILE ASP PHE LYS ARG GLU THR SEQRES 4 A 64 CYS VAL VAL VAL TYR THR GLY TYR GLY ASN ARG GLU GLU SEQRES 5 A 64 GLN ASN LEU SER ASP LEU LEU SER PRO ILE CYS GLU HET DA A 2 33 ATOM 1 N ASN A 84 -3.516 13.651 13.600 1.00 0.00 N ATOM 2 CA ASN A 84 -4.315 12.423 13.715 1.00 0.00 C ATOM 3 C ASN A 84 -4.406 11.741 12.366 1.00 0.00 C ATOM 4 O ASN A 84 -3.991 12.314 11.343 1.00 0.00 O ATOM 5 CB ASN A 84 -5.730 12.713 14.283 1.00 0.00 C ATOM 6 CG ASN A 84 -6.533 13.748 13.494 1.00 0.00 C ATOM 7 OD1 ASN A 84 -6.389 13.896 12.290 1.00 0.00 O ATOM 8 ND2 ASN A 84 -7.368 14.475 14.174 1.00 0.00 N ATOM 9 HA ASN A 84 -3.816 11.756 14.418 1.00 0.00 H ATOM 10 HB2 ASN A 84 -6.292 11.779 14.289 1.00 0.00 H ATOM 11 HB3 ASN A 84 -5.619 13.076 15.305 1.00 0.00 H ATOM 12 HD22 ASN A 84 -7.471 14.328 15.198 1.00 0.00 H ATOM 13 HD21 ASN A 84 -7.933 15.204 13.694 1.00 0.00 H ATOM 14 HN3 ASN A 84 -3.967 14.294 12.919 1.00 0.00 H ATOM 15 HN2 ASN A 84 -2.559 13.411 13.270 1.00 0.00 H ATOM 16 HN1 ASN A 84 -3.458 14.114 14.530 1.00 0.00 H ATOM 17 N THR A 85 -4.936 10.539 12.339 1.00 0.00 N ATOM 18 CA THR A 85 -5.090 9.833 11.111 1.00 0.00 C ATOM 19 C THR A 85 -6.471 10.135 10.530 1.00 0.00 C ATOM 20 O THR A 85 -7.474 9.507 10.889 1.00 0.00 O ATOM 21 CB THR A 85 -4.891 8.319 11.306 1.00 0.00 C ATOM 22 OG1 THR A 85 -3.632 8.102 11.987 1.00 0.00 O ATOM 23 CG2 THR A 85 -4.856 7.603 9.958 1.00 0.00 C ATOM 24 HA THR A 85 -4.324 10.167 10.411 1.00 0.00 H ATOM 25 HB THR A 85 -5.720 7.923 11.892 1.00 0.00 H ATOM 26 HG1 THR A 85 -3.492 7.131 12.118 1.00 0.00 H ATOM 27 HG23 THR A 85 -5.801 7.762 9.439 1.00 0.00 H ATOM 28 HG21 THR A 85 -4.039 8.002 9.357 1.00 0.00 H ATOM 29 HG22 THR A 85 -4.703 6.536 10.119 1.00 0.00 H ATOM 30 H THR A 85 -5.248 10.096 13.227 1.00 0.00 H ATOM 31 N ALA A 86 -6.516 11.147 9.704 1.00 0.00 N ATOM 32 CA ALA A 86 -7.742 11.585 9.081 1.00 0.00 C ATOM 33 C ALA A 86 -7.940 10.875 7.753 1.00 0.00 C ATOM 34 O ALA A 86 -9.077 10.653 7.305 1.00 0.00 O ATOM 35 CB ALA A 86 -7.711 13.092 8.884 1.00 0.00 C ATOM 36 HA ALA A 86 -8.581 11.335 9.730 1.00 0.00 H ATOM 37 HB1 ALA A 86 -7.603 13.582 9.852 1.00 0.00 H ATOM 38 HB2 ALA A 86 -6.868 13.356 8.246 1.00 0.00 H ATOM 39 HB3 ALA A 86 -8.640 13.415 8.413 1.00 0.00 H ATOM 40 H ALA A 86 -5.635 11.656 9.488 1.00 0.00 H ATOM 41 N ALA A 87 -6.840 10.471 7.144 1.00 0.00 N ATOM 42 CA ALA A 87 -6.884 9.809 5.869 1.00 0.00 C ATOM 43 C ALA A 87 -7.209 8.324 6.021 1.00 0.00 C ATOM 44 O ALA A 87 -6.347 7.459 5.903 1.00 0.00 O ATOM 45 CB ALA A 87 -5.598 10.027 5.083 1.00 0.00 C ATOM 46 HA ALA A 87 -7.693 10.259 5.294 1.00 0.00 H ATOM 47 HB1 ALA A 87 -5.454 11.094 4.914 1.00 0.00 H ATOM 48 HB2 ALA A 87 -4.756 9.630 5.650 1.00 0.00 H ATOM 49 HB3 ALA A 87 -5.668 9.512 4.125 1.00 0.00 H ATOM 50 H ALA A 87 -5.919 10.636 7.598 1.00 0.00 H ATOM 51 N SER A 88 -8.439 8.058 6.367 1.00 0.00 N ATOM 52 CA SER A 88 -8.942 6.712 6.484 1.00 0.00 C ATOM 53 C SER A 88 -10.176 6.602 5.581 1.00 0.00 C ATOM 54 O SER A 88 -10.931 5.641 5.613 1.00 0.00 O ATOM 55 CB SER A 88 -9.276 6.421 7.958 1.00 0.00 C ATOM 56 OG SER A 88 -9.600 5.046 8.194 1.00 0.00 O ATOM 57 HA SER A 88 -8.204 5.974 6.169 1.00 0.00 H ATOM 58 HB2 SER A 88 -10.128 7.035 8.250 1.00 0.00 H ATOM 59 HB3 SER A 88 -8.413 6.685 8.569 1.00 0.00 H ATOM 60 HG SER A 88 -10.388 4.796 7.650 1.00 0.00 H ATOM 61 H SER A 88 -9.083 8.850 6.567 1.00 0.00 H ATOM 62 N LEU A 89 -10.318 7.596 4.741 1.00 0.00 N ATOM 63 CA LEU A 89 -11.404 7.708 3.779 1.00 0.00 C ATOM 64 C LEU A 89 -10.843 7.450 2.386 1.00 0.00 C ATOM 65 O LEU A 89 -11.299 7.987 1.376 1.00 0.00 O ATOM 66 CB LEU A 89 -12.059 9.109 3.919 1.00 0.00 C ATOM 67 CG LEU A 89 -11.119 10.341 4.094 1.00 0.00 C ATOM 68 CD1 LEU A 89 -10.301 10.659 2.846 1.00 0.00 C ATOM 69 CD2 LEU A 89 -11.914 11.551 4.534 1.00 0.00 C ATOM 70 HA LEU A 89 -12.184 6.969 3.963 1.00 0.00 H ATOM 71 HB2 LEU A 89 -12.655 9.280 3.022 1.00 0.00 H ATOM 72 HB3 LEU A 89 -12.715 9.075 4.789 1.00 0.00 H ATOM 73 HG LEU A 89 -10.401 10.076 4.870 1.00 0.00 H ATOM 74 HD21 LEU A 89 -12.668 11.782 3.781 1.00 0.00 H ATOM 75 HD22 LEU A 89 -12.402 11.337 5.485 1.00 0.00 H ATOM 76 HD23 LEU A 89 -11.243 12.402 4.651 1.00 0.00 H ATOM 77 HD11 LEU A 89 -9.676 9.802 2.595 1.00 0.00 H ATOM 78 HD12 LEU A 89 -10.975 10.875 2.017 1.00 0.00 H ATOM 79 HD13 LEU A 89 -9.670 11.527 3.038 1.00 0.00 H ATOM 80 H LEU A 89 -9.608 8.356 4.763 1.00 0.00 H ATOM 81 N GLN A 90 -9.892 6.562 2.368 1.00 0.00 N ATOM 82 CA GLN A 90 -9.097 6.259 1.215 1.00 0.00 C ATOM 83 C GLN A 90 -9.839 5.330 0.260 1.00 0.00 C ATOM 84 O GLN A 90 -10.422 4.320 0.683 1.00 0.00 O ATOM 85 CB GLN A 90 -7.823 5.567 1.684 1.00 0.00 C ATOM 86 CG GLN A 90 -7.086 6.282 2.806 1.00 0.00 C ATOM 87 CD GLN A 90 -6.516 7.614 2.394 1.00 0.00 C ATOM 88 OE1 GLN A 90 -7.187 8.645 2.470 1.00 0.00 O ATOM 89 NE2 GLN A 90 -5.269 7.619 2.017 1.00 0.00 N ATOM 90 HA GLN A 90 -8.874 7.186 0.686 1.00 0.00 H ATOM 91 HB2 GLN A 90 -8.088 4.569 2.033 1.00 0.00 H ATOM 92 HB3 GLN A 90 -7.148 5.485 0.832 1.00 0.00 H ATOM 93 HG2 GLN A 90 -7.782 6.443 3.629 1.00 0.00 H ATOM 94 HG3 GLN A 90 -6.268 5.645 3.143 1.00 0.00 H ATOM 95 HE22 GLN A 90 -4.738 6.726 1.966 1.00 0.00 H ATOM 96 HE21 GLN A 90 -4.805 8.516 1.767 1.00 0.00 H ATOM 97 H GLN A 90 -9.697 6.039 3.246 1.00 0.00 H ATOM 98 N GLN A 91 -9.822 5.669 -1.001 1.00 0.00 N ATOM 99 CA GLN A 91 -10.380 4.834 -2.033 1.00 0.00 C ATOM 100 C GLN A 91 -9.351 4.759 -3.138 1.00 0.00 C ATOM 101 O GLN A 91 -8.834 5.786 -3.570 1.00 0.00 O ATOM 102 CB GLN A 91 -11.714 5.394 -2.539 1.00 0.00 C ATOM 103 CG GLN A 91 -12.429 4.491 -3.543 1.00 0.00 C ATOM 104 CD GLN A 91 -12.722 3.085 -3.011 1.00 0.00 C ATOM 105 OE1 GLN A 91 -12.760 2.122 -3.779 1.00 0.00 O ATOM 106 NE2 GLN A 91 -12.934 2.949 -1.723 1.00 0.00 N ATOM 107 HA GLN A 91 -10.600 3.838 -1.650 1.00 0.00 H ATOM 108 HB2 GLN A 91 -12.371 5.541 -1.682 1.00 0.00 H ATOM 109 HB3 GLN A 91 -11.523 6.354 -3.018 1.00 0.00 H ATOM 110 HG2 GLN A 91 -13.375 4.960 -3.815 1.00 0.00 H ATOM 111 HG3 GLN A 91 -11.802 4.399 -4.430 1.00 0.00 H ATOM 112 HE22 GLN A 91 -12.895 3.780 -1.099 1.00 0.00 H ATOM 113 HE21 GLN A 91 -13.141 2.010 -1.326 1.00 0.00 H ATOM 114 H GLN A 91 -9.389 6.576 -1.270 1.00 0.00 H ATOM 115 N TRP A 92 -9.036 3.571 -3.576 1.00 0.00 N ATOM 116 CA TRP A 92 -7.923 3.378 -4.481 1.00 0.00 C ATOM 117 C TRP A 92 -8.304 2.586 -5.715 1.00 0.00 C ATOM 118 O TRP A 92 -9.364 1.939 -5.756 1.00 0.00 O ATOM 119 CB TRP A 92 -6.805 2.638 -3.750 1.00 0.00 C ATOM 120 CG TRP A 92 -6.235 3.370 -2.577 1.00 0.00 C ATOM 121 CD1 TRP A 92 -6.645 3.275 -1.286 1.00 0.00 C ATOM 122 CD2 TRP A 92 -5.140 4.296 -2.583 1.00 0.00 C ATOM 123 NE1 TRP A 92 -5.883 4.080 -0.489 1.00 0.00 N ATOM 124 CE2 TRP A 92 -4.953 4.722 -1.258 1.00 0.00 C ATOM 125 CE3 TRP A 92 -4.299 4.804 -3.579 1.00 0.00 C ATOM 126 CZ2 TRP A 92 -3.965 5.633 -0.898 1.00 0.00 C ATOM 127 CZ3 TRP A 92 -3.317 5.701 -3.219 1.00 0.00 C ATOM 128 CH2 TRP A 92 -3.158 6.106 -1.889 1.00 0.00 C ATOM 129 HA TRP A 92 -7.597 4.365 -4.808 1.00 0.00 H ATOM 130 HB2 TRP A 92 -7.202 1.686 -3.397 1.00 0.00 H ATOM 131 HB3 TRP A 92 -5.999 2.453 -4.460 1.00 0.00 H ATOM 132 HE1 TRP A 92 -5.993 4.188 0.540 1.00 0.00 H ATOM 133 HD1 TRP A 92 -7.464 2.647 -0.936 1.00 0.00 H ATOM 134 HZ2 TRP A 92 -3.841 5.956 0.136 1.00 0.00 H ATOM 135 HH2 TRP A 92 -2.370 6.817 -1.640 1.00 0.00 H ATOM 136 HZ3 TRP A 92 -2.652 6.102 -3.984 1.00 0.00 H ATOM 137 HE3 TRP A 92 -4.418 4.497 -4.618 1.00 0.00 H ATOM 138 H TRP A 92 -9.594 2.749 -3.270 1.00 0.00 H ATOM 139 N LYS A 93 -7.450 2.666 -6.726 1.00 0.00 N ATOM 140 CA LYS A 93 -7.561 1.858 -7.918 1.00 0.00 C ATOM 141 C LYS A 93 -6.191 1.241 -8.198 1.00 0.00 C ATOM 142 O LYS A 93 -5.162 1.781 -7.772 1.00 0.00 O ATOM 143 CB LYS A 93 -8.053 2.666 -9.132 1.00 0.00 C ATOM 144 CG LYS A 93 -7.081 3.700 -9.640 1.00 0.00 C ATOM 145 CD LYS A 93 -7.682 4.516 -10.772 1.00 0.00 C ATOM 146 CE LYS A 93 -6.730 5.599 -11.268 1.00 0.00 C ATOM 147 NZ LYS A 93 -6.446 6.615 -10.231 1.00 0.00 N ATOM 148 HA LYS A 93 -8.307 1.081 -7.751 1.00 0.00 H ATOM 149 HB2 LYS A 93 -8.260 1.968 -9.943 1.00 0.00 H ATOM 150 HB3 LYS A 93 -8.974 3.176 -8.849 1.00 0.00 H ATOM 151 HG2 LYS A 93 -6.815 4.370 -8.822 1.00 0.00 H ATOM 152 HG3 LYS A 93 -6.184 3.197 -10.002 1.00 0.00 H ATOM 153 HD2 LYS A 93 -7.917 3.848 -11.601 1.00 0.00 H ATOM 154 HD3 LYS A 93 -8.598 4.989 -10.417 1.00 0.00 H ATOM 155 HE2 LYS A 93 -7.179 6.093 -12.130 1.00 0.00 H ATOM 156 HE3 LYS A 93 -5.792 5.131 -11.567 1.00 0.00 H ATOM 157 HZ1 LYS A 93 -7.334 7.073 -9.944 1.00 0.00 H ATOM 158 HZ2 LYS A 93 -6.010 6.155 -9.407 1.00 0.00 H ATOM 159 HZ3 LYS A 93 -5.795 7.329 -10.616 1.00 0.00 H ATOM 160 H LYS A 93 -6.663 3.342 -6.657 1.00 0.00 H ATOM 161 N VAL A 94 -6.190 0.126 -8.871 1.00 0.00 N ATOM 162 CA VAL A 94 -4.968 -0.602 -9.210 1.00 0.00 C ATOM 163 C VAL A 94 -4.096 0.238 -10.138 1.00 0.00 C ATOM 164 O VAL A 94 -4.605 0.859 -11.087 1.00 0.00 O ATOM 165 CB VAL A 94 -5.304 -1.962 -9.882 1.00 0.00 C ATOM 166 CG1 VAL A 94 -4.046 -2.703 -10.317 1.00 0.00 C ATOM 167 CG2 VAL A 94 -6.111 -2.822 -8.934 1.00 0.00 C ATOM 168 HA VAL A 94 -4.421 -0.799 -8.288 1.00 0.00 H ATOM 169 HB VAL A 94 -5.892 -1.755 -10.776 1.00 0.00 H ATOM 170 HG11 VAL A 94 -3.496 -2.093 -11.033 1.00 0.00 H ATOM 171 HG12 VAL A 94 -3.420 -2.896 -9.446 1.00 0.00 H ATOM 172 HG13 VAL A 94 -4.325 -3.648 -10.782 1.00 0.00 H ATOM 173 HG21 VAL A 94 -5.533 -3.002 -8.028 1.00 0.00 H ATOM 174 HG22 VAL A 94 -7.038 -2.308 -8.679 1.00 0.00 H ATOM 175 HG23 VAL A 94 -6.341 -3.773 -9.415 1.00 0.00 H ATOM 176 H VAL A 94 -7.102 -0.265 -9.182 1.00 0.00 H ATOM 177 N GLY A 95 -2.807 0.274 -9.858 1.00 0.00 N ATOM 178 CA GLY A 95 -1.904 1.046 -10.660 1.00 0.00 C ATOM 179 C GLY A 95 -1.691 2.424 -10.100 1.00 0.00 C ATOM 180 O GLY A 95 -1.135 3.294 -10.769 1.00 0.00 O ATOM 181 HA3 GLY A 95 -2.314 1.134 -11.666 1.00 0.00 H ATOM 182 HA2 GLY A 95 -0.944 0.531 -10.704 1.00 0.00 H ATOM 183 H GLY A 95 -2.442 -0.264 -9.046 1.00 0.00 H ATOM 184 N ASP A 96 -2.135 2.638 -8.886 1.00 0.00 N ATOM 185 CA ASP A 96 -1.950 3.917 -8.237 1.00 0.00 C ATOM 186 C ASP A 96 -0.802 3.860 -7.304 1.00 0.00 C ATOM 187 O ASP A 96 -0.542 2.822 -6.678 1.00 0.00 O ATOM 188 CB ASP A 96 -3.193 4.418 -7.492 1.00 0.00 C ATOM 189 CG ASP A 96 -4.006 5.420 -8.291 1.00 0.00 C ATOM 190 OD1 ASP A 96 -3.432 6.131 -9.145 1.00 0.00 O ATOM 191 OD2 ASP A 96 -5.220 5.586 -8.034 1.00 0.00 O ATOM 192 HA ASP A 96 -1.755 4.631 -9.037 1.00 0.00 H ATOM 193 HB2 ASP A 96 -3.827 3.562 -7.261 1.00 0.00 H ATOM 194 HB3 ASP A 96 -2.873 4.892 -6.564 1.00 0.00 H ATOM 195 H ASP A 96 -2.629 1.875 -8.380 1.00 0.00 H ATOM 196 N LYS A 97 -0.094 4.939 -7.241 1.00 0.00 N ATOM 197 CA LYS A 97 1.029 5.069 -6.383 1.00 0.00 C ATOM 198 C LYS A 97 0.557 5.421 -5.005 1.00 0.00 C ATOM 199 O LYS A 97 -0.419 6.169 -4.849 1.00 0.00 O ATOM 200 CB LYS A 97 1.930 6.157 -6.888 1.00 0.00 C ATOM 201 CG LYS A 97 2.333 5.973 -8.326 1.00 0.00 C ATOM 202 CD LYS A 97 3.464 6.889 -8.679 1.00 0.00 C ATOM 203 CE LYS A 97 3.081 8.359 -8.508 1.00 0.00 C ATOM 204 NZ LYS A 97 4.166 9.285 -8.893 1.00 0.00 N ATOM 205 HA LYS A 97 1.577 4.127 -6.360 1.00 0.00 H ATOM 206 HB2 LYS A 97 1.410 7.110 -6.793 1.00 0.00 H ATOM 207 HB3 LYS A 97 2.831 6.174 -6.275 1.00 0.00 H ATOM 208 HG2 LYS A 97 2.646 4.941 -8.481 1.00 0.00 H ATOM 209 HG3 LYS A 97 1.480 6.193 -8.968 1.00 0.00 H ATOM 210 HD2 LYS A 97 4.312 6.668 -8.031 1.00 0.00 H ATOM 211 HD3 LYS A 97 3.747 6.717 -9.718 1.00 0.00 H ATOM 212 HE2 LYS A 97 2.829 8.534 -7.462 1.00 0.00 H ATOM 213 HE3 LYS A 97 2.210 8.566 -9.129 1.00 0.00 H ATOM 214 HZ1 LYS A 97 5.001 9.104 -8.300 1.00 0.00 H ATOM 215 HZ2 LYS A 97 4.410 9.135 -9.893 1.00 0.00 H ATOM 216 HZ3 LYS A 97 3.848 10.266 -8.756 1.00 0.00 H ATOM 217 H LYS A 97 -0.358 5.745 -7.843 1.00 0.00 H ATOM 218 N CYS A 98 1.231 4.920 -4.029 1.00 0.00 N ATOM 219 CA CYS A 98 0.871 5.150 -2.656 1.00 0.00 C ATOM 220 C CYS A 98 2.078 4.893 -1.766 1.00 0.00 C ATOM 221 O CYS A 98 3.212 4.758 -2.256 1.00 0.00 O ATOM 222 CB CYS A 98 -0.299 4.224 -2.270 1.00 0.00 C ATOM 223 SG CYS A 98 0.026 2.475 -2.529 1.00 0.00 S ATOM 224 HA CYS A 98 0.554 6.185 -2.523 1.00 0.00 H ATOM 225 HB2 CYS A 98 -1.167 4.503 -2.868 1.00 0.00 H ATOM 226 HB3 CYS A 98 -0.522 4.377 -1.214 1.00 0.00 H ATOM 227 HG CYS A 98 0.296 2.252 -3.864 1.00 0.00 H ATOM 228 H CYS A 98 2.062 4.331 -4.240 1.00 0.00 H ATOM 229 N SER A 99 1.856 4.863 -0.500 1.00 0.00 N ATOM 230 CA SER A 99 2.864 4.514 0.429 1.00 0.00 C ATOM 231 C SER A 99 2.257 3.517 1.380 1.00 0.00 C ATOM 232 O SER A 99 1.052 3.606 1.694 1.00 0.00 O ATOM 233 CB SER A 99 3.357 5.714 1.184 1.00 0.00 C ATOM 234 OG SER A 99 3.663 6.804 0.310 1.00 0.00 O ATOM 235 HA SER A 99 3.724 4.095 -0.093 1.00 0.00 H ATOM 236 HB2 SER A 99 4.257 5.439 1.734 1.00 0.00 H ATOM 237 HB3 SER A 99 2.586 6.030 1.886 1.00 0.00 H ATOM 238 HG SER A 99 2.849 7.064 -0.189 1.00 0.00 H ATOM 239 H SER A 99 0.907 5.102 -0.148 1.00 0.00 H ATOM 240 N ALA A 100 3.047 2.604 1.828 1.00 0.00 N ATOM 241 CA ALA A 100 2.569 1.517 2.628 1.00 0.00 C ATOM 242 C ALA A 100 3.488 1.258 3.799 1.00 0.00 C ATOM 243 O ALA A 100 4.638 1.711 3.803 1.00 0.00 O ATOM 244 CB ALA A 100 2.434 0.287 1.760 1.00 0.00 C ATOM 245 HA ALA A 100 1.593 1.776 3.038 1.00 0.00 H ATOM 246 HB1 ALA A 100 1.728 0.488 0.954 1.00 0.00 H ATOM 247 HB2 ALA A 100 3.406 0.033 1.338 1.00 0.00 H ATOM 248 HB3 ALA A 100 2.070 -0.544 2.364 1.00 0.00 H ATOM 249 H ALA A 100 4.061 2.658 1.602 1.00 0.00 H ATOM 250 N ILE A 101 2.972 0.572 4.794 1.00 0.00 N ATOM 251 CA ILE A 101 3.731 0.215 5.975 1.00 0.00 C ATOM 252 C ILE A 101 4.351 -1.148 5.752 1.00 0.00 C ATOM 253 O ILE A 101 3.631 -2.138 5.587 1.00 0.00 O ATOM 254 CB ILE A 101 2.826 0.147 7.258 1.00 0.00 C ATOM 255 CG1 ILE A 101 2.399 1.540 7.712 1.00 0.00 C ATOM 256 CG2 ILE A 101 3.533 -0.589 8.413 1.00 0.00 C ATOM 257 CD1 ILE A 101 3.521 2.337 8.345 1.00 0.00 C ATOM 258 HA ILE A 101 4.490 0.981 6.136 1.00 0.00 H ATOM 259 HB ILE A 101 1.935 -0.418 6.986 1.00 0.00 H ATOM 260 HG12 ILE A 101 2.032 2.089 6.845 1.00 0.00 H ATOM 261 HG13 ILE A 101 1.596 1.435 8.441 1.00 0.00 H ATOM 262 HD11 ILE A 101 3.893 1.806 9.221 1.00 0.00 H ATOM 263 HD12 ILE A 101 4.329 2.460 7.624 1.00 0.00 H ATOM 264 HD13 ILE A 101 3.146 3.316 8.644 1.00 0.00 H ATOM 265 HG21 ILE A 101 3.769 -1.607 8.103 1.00 0.00 H ATOM 266 HG22 ILE A 101 4.453 -0.063 8.668 1.00 0.00 H ATOM 267 HG23 ILE A 101 2.875 -0.615 9.282 1.00 0.00 H ATOM 268 H ILE A 101 1.978 0.273 4.731 1.00 0.00 H ATOM 269 N TRP A 102 5.661 -1.195 5.744 1.00 0.00 N ATOM 270 CA TRP A 102 6.382 -2.429 5.557 1.00 0.00 C ATOM 271 C TRP A 102 6.176 -3.323 6.751 1.00 0.00 C ATOM 272 O TRP A 102 6.417 -2.907 7.854 1.00 0.00 O ATOM 273 CB TRP A 102 7.873 -2.147 5.377 1.00 0.00 C ATOM 274 CG TRP A 102 8.649 -3.323 4.868 1.00 0.00 C ATOM 275 CD1 TRP A 102 8.161 -4.349 4.124 1.00 0.00 C ATOM 276 CD2 TRP A 102 10.048 -3.575 5.014 1.00 0.00 C ATOM 277 NE1 TRP A 102 9.140 -5.227 3.822 1.00 0.00 N ATOM 278 CE2 TRP A 102 10.317 -4.781 4.343 1.00 0.00 C ATOM 279 CE3 TRP A 102 11.096 -2.909 5.644 1.00 0.00 C ATOM 280 CZ2 TRP A 102 11.585 -5.335 4.284 1.00 0.00 C ATOM 281 CZ3 TRP A 102 12.361 -3.460 5.585 1.00 0.00 C ATOM 282 CH2 TRP A 102 12.592 -4.665 4.907 1.00 0.00 C ATOM 283 HA TRP A 102 6.006 -2.926 4.663 1.00 0.00 H ATOM 284 HB2 TRP A 102 7.986 -1.327 4.668 1.00 0.00 H ATOM 285 HB3 TRP A 102 8.287 -1.852 6.341 1.00 0.00 H ATOM 286 HE1 TRP A 102 9.016 -6.105 3.278 1.00 0.00 H ATOM 287 HD1 TRP A 102 7.121 -4.449 3.813 1.00 0.00 H ATOM 288 HZ2 TRP A 102 11.769 -6.272 3.758 1.00 0.00 H ATOM 289 HH2 TRP A 102 13.602 -5.075 4.878 1.00 0.00 H ATOM 290 HZ3 TRP A 102 13.192 -2.950 6.073 1.00 0.00 H ATOM 291 HE3 TRP A 102 10.922 -1.972 6.173 1.00 0.00 H ATOM 292 H TRP A 102 6.197 -0.314 5.877 1.00 0.00 H ATOM 293 N SER A 103 5.753 -4.545 6.527 1.00 0.00 N ATOM 294 CA SER A 103 5.536 -5.502 7.599 1.00 0.00 C ATOM 295 C SER A 103 6.792 -5.747 8.428 1.00 0.00 C ATOM 296 O SER A 103 6.719 -6.029 9.628 1.00 0.00 O ATOM 297 CB SER A 103 5.062 -6.828 7.020 1.00 0.00 C ATOM 298 OG SER A 103 3.664 -6.846 6.763 1.00 0.00 O ATOM 299 HA SER A 103 4.779 -5.075 8.256 1.00 0.00 H ATOM 300 HB2 SER A 103 5.297 -7.622 7.729 1.00 0.00 H ATOM 301 HB3 SER A 103 5.591 -7.009 6.085 1.00 0.00 H ATOM 302 HG SER A 103 3.440 -6.133 6.113 1.00 0.00 H ATOM 303 H SER A 103 5.566 -4.839 5.547 1.00 0.00 H ATOM 304 N GLU A 104 7.929 -5.595 7.811 1.00 0.00 N ATOM 305 CA GLU A 104 9.157 -5.961 8.453 1.00 0.00 C ATOM 306 C GLU A 104 9.697 -4.866 9.342 1.00 0.00 C ATOM 307 O GLU A 104 10.158 -5.132 10.442 1.00 0.00 O ATOM 308 CB GLU A 104 10.182 -6.386 7.432 1.00 0.00 C ATOM 309 CG GLU A 104 9.698 -7.491 6.514 1.00 0.00 C ATOM 310 CD GLU A 104 9.313 -8.757 7.244 1.00 0.00 C ATOM 311 OE1 GLU A 104 10.201 -9.598 7.546 1.00 0.00 O ATOM 312 OE2 GLU A 104 8.125 -8.943 7.544 1.00 0.00 O ATOM 313 HA GLU A 104 8.938 -6.808 9.103 1.00 0.00 H ATOM 314 HB2 GLU A 104 10.443 -5.520 6.823 1.00 0.00 H ATOM 315 HB3 GLU A 104 11.069 -6.738 7.959 1.00 0.00 H ATOM 316 HG2 GLU A 104 8.827 -7.129 5.968 1.00 0.00 H ATOM 317 HG3 GLU A 104 10.495 -7.728 5.809 1.00 0.00 H ATOM 318 H GLU A 104 7.946 -5.206 6.847 1.00 0.00 H ATOM 319 N ASP A 105 9.626 -3.630 8.895 1.00 0.00 N ATOM 320 CA ASP A 105 10.195 -2.551 9.716 1.00 0.00 C ATOM 321 C ASP A 105 9.097 -1.686 10.299 1.00 0.00 C ATOM 322 O ASP A 105 9.287 -0.977 11.287 1.00 0.00 O ATOM 323 CB ASP A 105 11.158 -1.699 8.892 1.00 0.00 C ATOM 324 CG ASP A 105 12.065 -0.832 9.748 1.00 0.00 C ATOM 325 OD1 ASP A 105 13.110 -1.323 10.204 1.00 0.00 O ATOM 326 OD2 ASP A 105 11.772 0.344 9.950 1.00 0.00 O ATOM 327 HA ASP A 105 10.749 -3.006 10.537 1.00 0.00 H ATOM 328 HB2 ASP A 105 11.779 -2.361 8.288 1.00 0.00 H ATOM 329 HB3 ASP A 105 10.576 -1.052 8.237 1.00 0.00 H ATOM 330 H ASP A 105 9.177 -3.421 7.981 1.00 0.00 H ATOM 331 N GLY A 106 7.927 -1.791 9.717 1.00 0.00 N ATOM 332 CA GLY A 106 6.781 -1.024 10.180 1.00 0.00 C ATOM 333 C GLY A 106 6.797 0.404 9.682 1.00 0.00 C ATOM 334 O GLY A 106 6.003 1.222 10.118 1.00 0.00 O ATOM 335 HA3 GLY A 106 6.785 -1.014 11.270 1.00 0.00 H ATOM 336 HA2 GLY A 106 5.871 -1.507 9.825 1.00 0.00 H ATOM 337 H GLY A 106 7.816 -2.435 8.908 1.00 0.00 H ATOM 338 N CYS A 107 7.720 0.711 8.805 1.00 0.00 N ATOM 339 CA CYS A 107 7.846 2.048 8.287 1.00 0.00 C ATOM 340 C CYS A 107 7.095 2.267 6.994 1.00 0.00 C ATOM 341 O CYS A 107 6.744 1.312 6.295 1.00 0.00 O ATOM 342 CB CYS A 107 9.297 2.437 8.145 1.00 0.00 C ATOM 343 SG CYS A 107 10.139 2.658 9.706 1.00 0.00 S ATOM 344 HA CYS A 107 7.377 2.703 9.021 1.00 0.00 H ATOM 345 HB2 CYS A 107 9.350 3.374 7.590 1.00 0.00 H ATOM 346 HB3 CYS A 107 9.810 1.655 7.585 1.00 0.00 H ATOM 347 HG CYS A 107 10.098 1.478 10.420 1.00 0.00 H ATOM 348 H CYS A 107 8.375 -0.026 8.476 1.00 0.00 H ATOM 349 N ILE A 108 6.868 3.528 6.686 1.00 0.00 N ATOM 350 CA ILE A 108 6.250 3.950 5.447 1.00 0.00 C ATOM 351 C ILE A 108 7.277 3.872 4.342 1.00 0.00 C ATOM 352 O ILE A 108 8.387 4.410 4.475 1.00 0.00 O ATOM 353 CB ILE A 108 5.781 5.423 5.508 1.00 0.00 C ATOM 354 CG1 ILE A 108 4.836 5.669 6.666 1.00 0.00 C ATOM 355 CG2 ILE A 108 5.099 5.796 4.202 1.00 0.00 C ATOM 356 CD1 ILE A 108 3.484 5.045 6.505 1.00 0.00 C ATOM 357 HA ILE A 108 5.392 3.300 5.272 1.00 0.00 H ATOM 358 HB ILE A 108 6.662 6.046 5.662 1.00 0.00 H ATOM 359 HG12 ILE A 108 5.292 5.266 7.570 1.00 0.00 H ATOM 360 HG13 ILE A 108 4.704 6.745 6.776 1.00 0.00 H ATOM 361 HD11 ILE A 108 3.004 5.446 5.612 1.00 0.00 H ATOM 362 HD12 ILE A 108 3.593 3.965 6.407 1.00 0.00 H ATOM 363 HD13 ILE A 108 2.874 5.272 7.379 1.00 0.00 H ATOM 364 HG21 ILE A 108 5.802 5.673 3.378 1.00 0.00 H ATOM 365 HG22 ILE A 108 4.237 5.147 4.045 1.00 0.00 H ATOM 366 HG23 ILE A 108 4.770 6.834 4.249 1.00 0.00 H ATOM 367 H ILE A 108 7.148 4.260 7.370 1.00 0.00 H ATOM 368 N TYR A 109 6.927 3.212 3.301 1.00 0.00 N ATOM 369 CA TYR A 109 7.747 3.097 2.119 1.00 0.00 C ATOM 370 C TYR A 109 6.882 3.292 0.887 1.00 0.00 C ATOM 371 O TYR A 109 5.673 3.024 0.936 1.00 0.00 O ATOM 372 CB TYR A 109 8.434 1.742 2.053 1.00 0.00 C ATOM 373 CG TYR A 109 9.546 1.543 3.051 1.00 0.00 C ATOM 374 CD1 TYR A 109 10.844 1.921 2.747 1.00 0.00 C ATOM 375 CD2 TYR A 109 9.308 0.940 4.269 1.00 0.00 C ATOM 376 CE1 TYR A 109 11.874 1.700 3.635 1.00 0.00 C ATOM 377 CE2 TYR A 109 10.325 0.721 5.170 1.00 0.00 C ATOM 378 CZ TYR A 109 11.613 1.099 4.851 1.00 0.00 C ATOM 379 OH TYR A 109 12.645 0.866 5.744 1.00 0.00 O ATOM 380 HA TYR A 109 8.519 3.865 2.160 1.00 0.00 H ATOM 381 HB3 TYR A 109 8.851 1.622 1.053 1.00 0.00 H ATOM 382 HB2 TYR A 109 7.682 0.972 2.226 1.00 0.00 H ATOM 383 HD2 TYR A 109 8.294 0.631 4.523 1.00 0.00 H ATOM 384 HE2 TYR A 109 10.114 0.251 6.131 1.00 0.00 H ATOM 385 HE1 TYR A 109 12.891 1.998 3.379 1.00 0.00 H ATOM 386 HD1 TYR A 109 11.053 2.400 1.791 1.00 0.00 H ATOM 387 HH TYR A 109 13.495 1.197 5.358 1.00 0.00 H ATOM 388 H TYR A 109 6.003 2.734 3.308 1.00 0.00 H ATOM 389 N PRO A 110 7.459 3.798 -0.210 1.00 0.00 N ATOM 390 CA PRO A 110 6.726 4.011 -1.456 1.00 0.00 C ATOM 391 C PRO A 110 6.356 2.691 -2.125 1.00 0.00 C ATOM 392 O PRO A 110 7.204 1.807 -2.314 1.00 0.00 O ATOM 393 CB PRO A 110 7.713 4.787 -2.328 1.00 0.00 C ATOM 394 CG PRO A 110 9.060 4.439 -1.793 1.00 0.00 C ATOM 395 CD PRO A 110 8.876 4.206 -0.326 1.00 0.00 C ATOM 396 HA PRO A 110 5.784 4.535 -1.293 1.00 0.00 H ATOM 397 HD3 PRO A 110 9.538 3.416 0.028 1.00 0.00 H ATOM 398 HD2 PRO A 110 9.066 5.118 0.239 1.00 0.00 H ATOM 399 HG3 PRO A 110 9.758 5.259 -1.962 1.00 0.00 H ATOM 400 HG2 PRO A 110 9.438 3.537 -2.275 1.00 0.00 H ATOM 401 HB2 PRO A 110 7.625 4.482 -3.371 1.00 0.00 H ATOM 402 HB3 PRO A 110 7.534 5.859 -2.248 1.00 0.00 H ATOM 403 N ALA A 111 5.113 2.553 -2.484 1.00 0.00 N ATOM 404 CA ALA A 111 4.646 1.351 -3.099 1.00 0.00 C ATOM 405 C ALA A 111 3.530 1.651 -4.066 1.00 0.00 C ATOM 406 O ALA A 111 2.811 2.620 -3.909 1.00 0.00 O ATOM 407 CB ALA A 111 4.179 0.373 -2.048 1.00 0.00 C ATOM 408 HA ALA A 111 5.471 0.903 -3.652 1.00 0.00 H ATOM 409 HB1 ALA A 111 5.008 0.134 -1.382 1.00 0.00 H ATOM 410 HB2 ALA A 111 3.367 0.819 -1.474 1.00 0.00 H ATOM 411 HB3 ALA A 111 3.826 -0.538 -2.532 1.00 0.00 H ATOM 412 H ALA A 111 4.446 3.334 -2.320 1.00 0.00 H ATOM 413 N THR A 112 3.386 0.847 -5.056 1.00 0.00 N ATOM 414 CA THR A 112 2.326 1.037 -6.005 1.00 0.00 C ATOM 415 C THR A 112 1.362 -0.133 -5.889 1.00 0.00 C ATOM 416 O THR A 112 1.778 -1.240 -5.561 1.00 0.00 O ATOM 417 CB THR A 112 2.914 1.117 -7.420 1.00 0.00 C ATOM 418 OG1 THR A 112 4.036 2.021 -7.389 1.00 0.00 O ATOM 419 CG2 THR A 112 1.889 1.664 -8.395 1.00 0.00 C ATOM 420 HA THR A 112 1.793 1.966 -5.803 1.00 0.00 H ATOM 421 HB THR A 112 3.213 0.119 -7.741 1.00 0.00 H ATOM 422 HG1 THR A 112 4.430 2.087 -8.295 1.00 0.00 H ATOM 423 HG23 THR A 112 1.031 0.993 -8.433 1.00 0.00 H ATOM 424 HG21 THR A 112 1.566 2.651 -8.065 1.00 0.00 H ATOM 425 HG22 THR A 112 2.336 1.740 -9.386 1.00 0.00 H ATOM 426 H THR A 112 4.044 0.050 -5.172 1.00 0.00 H ATOM 427 N ILE A 113 0.106 0.113 -6.135 1.00 0.00 N ATOM 428 CA ILE A 113 -0.914 -0.904 -6.011 1.00 0.00 C ATOM 429 C ILE A 113 -0.859 -1.886 -7.176 1.00 0.00 C ATOM 430 O ILE A 113 -0.939 -1.487 -8.352 1.00 0.00 O ATOM 431 CB ILE A 113 -2.310 -0.263 -5.939 1.00 0.00 C ATOM 432 CG1 ILE A 113 -2.355 0.732 -4.783 1.00 0.00 C ATOM 433 CG2 ILE A 113 -3.375 -1.337 -5.755 1.00 0.00 C ATOM 434 CD1 ILE A 113 -3.612 1.545 -4.733 1.00 0.00 C ATOM 435 HA ILE A 113 -0.723 -1.451 -5.088 1.00 0.00 H ATOM 436 HB ILE A 113 -2.511 0.264 -6.872 1.00 0.00 H ATOM 437 HG12 ILE A 113 -2.267 0.178 -3.849 1.00 0.00 H ATOM 438 HG13 ILE A 113 -1.509 1.412 -4.882 1.00 0.00 H ATOM 439 HD11 ILE A 113 -3.711 2.116 -5.656 1.00 0.00 H ATOM 440 HD12 ILE A 113 -4.469 0.880 -4.622 1.00 0.00 H ATOM 441 HD13 ILE A 113 -3.568 2.228 -3.885 1.00 0.00 H ATOM 442 HG21 ILE A 113 -3.342 -2.027 -6.598 1.00 0.00 H ATOM 443 HG22 ILE A 113 -3.184 -1.881 -4.830 1.00 0.00 H ATOM 444 HG23 ILE A 113 -4.358 -0.868 -5.706 1.00 0.00 H ATOM 445 H ILE A 113 -0.171 1.071 -6.430 1.00 0.00 H ATOM 446 N ALA A 114 -0.735 -3.147 -6.845 1.00 0.00 N ATOM 447 CA ALA A 114 -0.672 -4.212 -7.820 1.00 0.00 C ATOM 448 C ALA A 114 -2.041 -4.832 -8.009 1.00 0.00 C ATOM 449 O ALA A 114 -2.406 -5.217 -9.116 1.00 0.00 O ATOM 450 CB ALA A 114 0.322 -5.270 -7.377 1.00 0.00 C ATOM 451 HA ALA A 114 -0.341 -3.794 -8.771 1.00 0.00 H ATOM 452 HB1 ALA A 114 1.309 -4.819 -7.276 1.00 0.00 H ATOM 453 HB2 ALA A 114 0.009 -5.682 -6.418 1.00 0.00 H ATOM 454 HB3 ALA A 114 0.359 -6.066 -8.121 1.00 0.00 H ATOM 455 H ALA A 114 -0.679 -3.393 -5.836 1.00 0.00 H ATOM 456 N SER A 115 -2.795 -4.934 -6.933 1.00 0.00 N ATOM 457 CA SER A 115 -4.119 -5.506 -6.983 1.00 0.00 C ATOM 458 C SER A 115 -4.928 -5.051 -5.791 1.00 0.00 C ATOM 459 O SER A 115 -4.360 -4.761 -4.752 1.00 0.00 O ATOM 460 CB SER A 115 -4.005 -7.027 -6.998 1.00 0.00 C ATOM 461 OG SER A 115 -3.138 -7.497 -5.961 1.00 0.00 O ATOM 462 HA SER A 115 -4.627 -5.173 -7.888 1.00 0.00 H ATOM 463 HB2 SER A 115 -3.608 -7.343 -7.963 1.00 0.00 H ATOM 464 HB3 SER A 115 -4.996 -7.458 -6.855 1.00 0.00 H ATOM 465 HG SER A 115 -3.086 -8.485 -5.998 1.00 0.00 H ATOM 466 H SER A 115 -2.426 -4.593 -6.023 1.00 0.00 H ATOM 467 N ILE A 116 -6.230 -4.938 -5.953 1.00 0.00 N ATOM 468 CA ILE A 116 -7.115 -4.585 -4.873 1.00 0.00 C ATOM 469 C ILE A 116 -8.216 -5.608 -4.753 1.00 0.00 C ATOM 470 O ILE A 116 -8.884 -5.929 -5.742 1.00 0.00 O ATOM 471 CB ILE A 116 -7.778 -3.217 -5.115 1.00 0.00 C ATOM 472 CG1 ILE A 116 -6.742 -2.113 -5.166 1.00 0.00 C ATOM 473 CG2 ILE A 116 -8.829 -2.932 -4.049 1.00 0.00 C ATOM 474 CD1 ILE A 116 -7.301 -0.810 -5.603 1.00 0.00 C ATOM 475 HA ILE A 116 -6.515 -4.547 -3.964 1.00 0.00 H ATOM 476 HB ILE A 116 -8.278 -3.249 -6.083 1.00 0.00 H ATOM 477 HG12 ILE A 116 -6.315 -1.991 -4.171 1.00 0.00 H ATOM 478 HG13 ILE A 116 -5.957 -2.405 -5.863 1.00 0.00 H ATOM 479 HD11 ILE A 116 -7.723 -0.914 -6.603 1.00 0.00 H ATOM 480 HD12 ILE A 116 -8.081 -0.500 -4.908 1.00 0.00 H ATOM 481 HD13 ILE A 116 -6.508 -0.063 -5.618 1.00 0.00 H ATOM 482 HG21 ILE A 116 -9.596 -3.706 -4.080 1.00 0.00 H ATOM 483 HG22 ILE A 116 -8.356 -2.926 -3.067 1.00 0.00 H ATOM 484 HG23 ILE A 116 -9.284 -1.960 -4.240 1.00 0.00 H ATOM 485 H ILE A 116 -6.634 -5.110 -6.896 1.00 0.00 H ATOM 486 N ASP A 117 -8.407 -6.100 -3.567 1.00 0.00 N ATOM 487 CA ASP A 117 -9.508 -6.975 -3.283 1.00 0.00 C ATOM 488 C ASP A 117 -10.423 -6.228 -2.354 1.00 0.00 C ATOM 489 O ASP A 117 -10.138 -6.098 -1.156 1.00 0.00 O ATOM 490 CB ASP A 117 -9.065 -8.272 -2.635 1.00 0.00 C ATOM 491 CG ASP A 117 -10.167 -9.323 -2.649 1.00 0.00 C ATOM 492 OD1 ASP A 117 -11.042 -9.308 -1.759 1.00 0.00 O ATOM 493 OD2 ASP A 117 -10.176 -10.190 -3.564 1.00 0.00 O ATOM 494 HA ASP A 117 -10.003 -7.251 -4.214 1.00 0.00 H ATOM 495 HB2 ASP A 117 -8.202 -8.659 -3.177 1.00 0.00 H ATOM 496 HB3 ASP A 117 -8.783 -8.071 -1.601 1.00 0.00 H ATOM 497 H ASP A 117 -7.745 -5.854 -2.803 1.00 0.00 H ATOM 498 N PHE A 118 -11.483 -5.706 -2.890 1.00 0.00 N ATOM 499 CA PHE A 118 -12.410 -4.880 -2.138 1.00 0.00 C ATOM 500 C PHE A 118 -13.140 -5.692 -1.083 1.00 0.00 C ATOM 501 O PHE A 118 -13.588 -5.145 -0.082 1.00 0.00 O ATOM 502 CB PHE A 118 -13.418 -4.207 -3.071 1.00 0.00 C ATOM 503 CG PHE A 118 -12.816 -3.263 -4.082 1.00 0.00 C ATOM 504 CD1 PHE A 118 -12.437 -1.977 -3.717 1.00 0.00 C ATOM 505 CD2 PHE A 118 -12.639 -3.657 -5.399 1.00 0.00 C ATOM 506 CE1 PHE A 118 -11.895 -1.109 -4.646 1.00 0.00 C ATOM 507 CE2 PHE A 118 -12.100 -2.793 -6.330 1.00 0.00 C ATOM 508 CZ PHE A 118 -11.728 -1.517 -5.955 1.00 0.00 C ATOM 509 HA PHE A 118 -11.827 -4.108 -1.635 1.00 0.00 H ATOM 510 HB2 PHE A 118 -13.952 -4.988 -3.612 1.00 0.00 H ATOM 511 HB3 PHE A 118 -14.123 -3.644 -2.459 1.00 0.00 H ATOM 512 HD2 PHE A 118 -12.929 -4.663 -5.703 1.00 0.00 H ATOM 513 HE2 PHE A 118 -11.968 -3.118 -7.362 1.00 0.00 H ATOM 514 HZ PHE A 118 -11.304 -0.833 -6.690 1.00 0.00 H ATOM 515 HE1 PHE A 118 -11.600 -0.104 -4.346 1.00 0.00 H ATOM 516 HD1 PHE A 118 -12.569 -1.649 -2.686 1.00 0.00 H ATOM 517 H PHE A 118 -11.676 -5.886 -3.896 1.00 0.00 H ATOM 518 N LYS A 119 -13.237 -6.993 -1.301 1.00 0.00 N ATOM 519 CA LYS A 119 -13.914 -7.870 -0.367 1.00 0.00 C ATOM 520 C LYS A 119 -13.053 -8.080 0.882 1.00 0.00 C ATOM 521 O LYS A 119 -13.561 -8.106 2.017 1.00 0.00 O ATOM 522 CB LYS A 119 -14.273 -9.192 -1.042 1.00 0.00 C ATOM 523 CG LYS A 119 -15.110 -9.020 -2.309 1.00 0.00 C ATOM 524 CD LYS A 119 -16.459 -8.367 -2.024 1.00 0.00 C ATOM 525 CE LYS A 119 -17.215 -8.038 -3.308 1.00 0.00 C ATOM 526 NZ LYS A 119 -17.522 -9.233 -4.131 1.00 0.00 N ATOM 527 HA LYS A 119 -14.846 -7.403 -0.049 1.00 0.00 H ATOM 528 HB2 LYS A 119 -13.349 -9.708 -1.305 1.00 0.00 H ATOM 529 HB3 LYS A 119 -14.838 -9.799 -0.334 1.00 0.00 H ATOM 530 HG2 LYS A 119 -14.559 -8.396 -3.012 1.00 0.00 H ATOM 531 HG3 LYS A 119 -15.281 -10.001 -2.753 1.00 0.00 H ATOM 532 HD2 LYS A 119 -17.062 -9.050 -1.425 1.00 0.00 H ATOM 533 HD3 LYS A 119 -16.294 -7.445 -1.466 1.00 0.00 H ATOM 534 HE2 LYS A 119 -16.608 -7.355 -3.902 1.00 0.00 H ATOM 535 HE3 LYS A 119 -18.153 -7.550 -3.042 1.00 0.00 H ATOM 536 HZ1 LYS A 119 -16.635 -9.704 -4.401 1.00 0.00 H ATOM 537 HZ2 LYS A 119 -18.111 -9.890 -3.580 1.00 0.00 H ATOM 538 HZ3 LYS A 119 -18.035 -8.940 -4.987 1.00 0.00 H ATOM 539 H LYS A 119 -12.817 -7.396 -2.163 1.00 0.00 H ATOM 540 N ARG A 120 -11.737 -8.198 0.686 1.00 0.00 N ATOM 541 CA ARG A 120 -10.826 -8.304 1.820 1.00 0.00 C ATOM 542 C ARG A 120 -10.557 -6.905 2.355 1.00 0.00 C ATOM 543 O ARG A 120 -9.969 -6.745 3.442 1.00 0.00 O ATOM 544 CB ARG A 120 -9.471 -8.867 1.389 1.00 0.00 C ATOM 545 CG ARG A 120 -9.464 -10.231 0.752 1.00 0.00 C ATOM 546 CD ARG A 120 -8.067 -10.553 0.235 1.00 0.00 C ATOM 547 NE ARG A 120 -8.006 -11.824 -0.493 1.00 0.00 N ATOM 548 CZ ARG A 120 -6.984 -12.223 -1.280 1.00 0.00 C ATOM 549 NH1 ARG A 120 -5.846 -11.520 -1.345 1.00 0.00 N ATOM 550 NH2 ARG A 120 -7.086 -13.357 -1.953 1.00 0.00 N ATOM 551 HA ARG A 120 -11.285 -8.958 2.562 1.00 0.00 H ATOM 552 HB2 ARG A 120 -9.038 -8.168 0.673 1.00 0.00 H ATOM 553 HB3 ARG A 120 -8.839 -8.916 2.276 1.00 0.00 H ATOM 554 HG2 ARG A 120 -9.758 -10.977 1.491 1.00 0.00 H ATOM 555 HG3 ARG A 120 -10.170 -10.246 -0.078 1.00 0.00 H ATOM 556 HD2 ARG A 120 -7.385 -10.605 1.084 1.00 0.00 H ATOM 557 HD3 ARG A 120 -7.751 -9.753 -0.435 1.00 0.00 H ATOM 558 HE ARG A 120 -8.815 -12.470 -0.395 1.00 0.00 H ATOM 559 HH12 ARG A 120 -5.070 -11.843 -1.957 1.00 0.00 H ATOM 560 HH11 ARG A 120 -5.739 -10.651 -0.784 1.00 0.00 H ATOM 561 HH22 ARG A 120 -6.304 -13.673 -2.562 1.00 0.00 H ATOM 562 HH21 ARG A 120 -7.948 -13.933 -1.873 1.00 0.00 H ATOM 563 H ARG A 120 -11.359 -8.214 -0.283 1.00 0.00 H ATOM 564 N GLU A 121 -11.023 -5.900 1.582 1.00 0.00 N ATOM 565 CA GLU A 121 -10.856 -4.480 1.858 1.00 0.00 C ATOM 566 C GLU A 121 -9.337 -4.156 1.868 1.00 0.00 C ATOM 567 O GLU A 121 -8.876 -3.152 2.458 1.00 0.00 O ATOM 568 CB GLU A 121 -11.530 -4.125 3.199 1.00 0.00 C ATOM 569 CG GLU A 121 -11.800 -2.646 3.417 1.00 0.00 C ATOM 570 CD GLU A 121 -12.952 -2.121 2.607 1.00 0.00 C ATOM 571 OE1 GLU A 121 -14.060 -2.671 2.713 1.00 0.00 O ATOM 572 OE2 GLU A 121 -12.772 -1.143 1.843 1.00 0.00 O ATOM 573 HA GLU A 121 -11.335 -3.877 1.087 1.00 0.00 H ATOM 574 HB2 GLU A 121 -12.483 -4.653 3.248 1.00 0.00 H ATOM 575 HB3 GLU A 121 -10.882 -4.472 4.004 1.00 0.00 H ATOM 576 HG2 GLU A 121 -12.019 -2.487 4.473 1.00 0.00 H ATOM 577 HG3 GLU A 121 -10.904 -2.088 3.145 1.00 0.00 H ATOM 578 H GLU A 121 -11.543 -6.162 0.720 1.00 0.00 H ATOM 579 N THR A 122 -8.567 -4.979 1.153 1.00 0.00 N ATOM 580 CA THR A 122 -7.138 -4.869 1.148 1.00 0.00 C ATOM 581 C THR A 122 -6.615 -4.838 -0.273 1.00 0.00 C ATOM 582 O THR A 122 -7.348 -5.109 -1.225 1.00 0.00 O ATOM 583 CB THR A 122 -6.469 -6.048 1.904 1.00 0.00 C ATOM 584 OG1 THR A 122 -6.829 -7.296 1.298 1.00 0.00 O ATOM 585 CG2 THR A 122 -6.871 -6.073 3.361 1.00 0.00 C ATOM 586 HA THR A 122 -6.886 -3.939 1.658 1.00 0.00 H ATOM 587 HB THR A 122 -5.390 -5.903 1.843 1.00 0.00 H ATOM 588 HG1 THR A 122 -6.396 -8.038 1.790 1.00 0.00 H ATOM 589 HG23 THR A 122 -6.600 -5.126 3.828 1.00 0.00 H ATOM 590 HG21 THR A 122 -7.948 -6.222 3.437 1.00 0.00 H ATOM 591 HG22 THR A 122 -6.354 -6.889 3.865 1.00 0.00 H ATOM 592 H THR A 122 -9.018 -5.723 0.582 1.00 0.00 H ATOM 593 N CYS A 123 -5.373 -4.518 -0.414 1.00 0.00 N ATOM 594 CA CYS A 123 -4.739 -4.451 -1.687 1.00 0.00 C ATOM 595 C CYS A 123 -3.284 -4.819 -1.566 1.00 0.00 C ATOM 596 O CYS A 123 -2.690 -4.623 -0.520 1.00 0.00 O ATOM 597 CB CYS A 123 -4.901 -3.059 -2.240 1.00 0.00 C ATOM 598 SG CYS A 123 -4.502 -1.786 -1.044 1.00 0.00 S ATOM 599 HA CYS A 123 -5.204 -5.162 -2.370 1.00 0.00 H ATOM 600 HB2 CYS A 123 -5.936 -2.928 -2.556 1.00 0.00 H ATOM 601 HB3 CYS A 123 -4.242 -2.947 -3.101 1.00 0.00 H ATOM 602 HG CYS A 123 -4.674 -0.544 -1.622 1.00 0.00 H ATOM 603 H CYS A 123 -4.813 -4.301 0.435 1.00 0.00 H ATOM 604 N VAL A 124 -2.726 -5.354 -2.610 1.00 0.00 N ATOM 605 CA VAL A 124 -1.336 -5.718 -2.619 1.00 0.00 C ATOM 606 C VAL A 124 -0.555 -4.597 -3.253 1.00 0.00 C ATOM 607 O VAL A 124 -0.944 -4.088 -4.315 1.00 0.00 O ATOM 608 CB VAL A 124 -1.099 -7.039 -3.399 1.00 0.00 C ATOM 609 CG1 VAL A 124 0.378 -7.422 -3.415 1.00 0.00 C ATOM 610 CG2 VAL A 124 -1.921 -8.154 -2.790 1.00 0.00 C ATOM 611 HA VAL A 124 -1.005 -5.882 -1.594 1.00 0.00 H ATOM 612 HB VAL A 124 -1.413 -6.881 -4.431 1.00 0.00 H ATOM 613 HG11 VAL A 124 0.952 -6.630 -3.895 1.00 0.00 H ATOM 614 HG12 VAL A 124 0.728 -7.557 -2.392 1.00 0.00 H ATOM 615 HG13 VAL A 124 0.505 -8.352 -3.970 1.00 0.00 H ATOM 616 HG21 VAL A 124 -1.627 -8.293 -1.750 1.00 0.00 H ATOM 617 HG22 VAL A 124 -2.978 -7.893 -2.839 1.00 0.00 H ATOM 618 HG23 VAL A 124 -1.747 -9.076 -3.345 1.00 0.00 H ATOM 619 H VAL A 124 -3.300 -5.523 -3.461 1.00 0.00 H ATOM 620 N VAL A 125 0.513 -4.207 -2.624 1.00 0.00 N ATOM 621 CA VAL A 125 1.333 -3.145 -3.120 1.00 0.00 C ATOM 622 C VAL A 125 2.721 -3.659 -3.381 1.00 0.00 C ATOM 623 O VAL A 125 3.178 -4.608 -2.737 1.00 0.00 O ATOM 624 CB VAL A 125 1.431 -1.956 -2.121 1.00 0.00 C ATOM 625 CG1 VAL A 125 0.064 -1.356 -1.822 1.00 0.00 C ATOM 626 CG2 VAL A 125 2.154 -2.372 -0.833 1.00 0.00 C ATOM 627 HA VAL A 125 0.868 -2.784 -4.037 1.00 0.00 H ATOM 628 HB VAL A 125 2.026 -1.178 -2.599 1.00 0.00 H ATOM 629 HG11 VAL A 125 -0.381 -0.991 -2.747 1.00 0.00 H ATOM 630 HG12 VAL A 125 -0.579 -2.120 -1.384 1.00 0.00 H ATOM 631 HG13 VAL A 125 0.177 -0.529 -1.121 1.00 0.00 H ATOM 632 HG21 VAL A 125 1.605 -3.184 -0.356 1.00 0.00 H ATOM 633 HG22 VAL A 125 3.162 -2.707 -1.076 1.00 0.00 H ATOM 634 HG23 VAL A 125 2.206 -1.520 -0.156 1.00 0.00 H ATOM 635 H VAL A 125 0.779 -4.679 -1.736 1.00 0.00 H ATOM 636 N VAL A 126 3.359 -3.075 -4.340 1.00 0.00 N ATOM 637 CA VAL A 126 4.711 -3.397 -4.658 1.00 0.00 C ATOM 638 C VAL A 126 5.575 -2.220 -4.291 1.00 0.00 C ATOM 639 O VAL A 126 5.392 -1.117 -4.837 1.00 0.00 O ATOM 640 CB VAL A 126 4.905 -3.709 -6.155 1.00 0.00 C ATOM 641 CG1 VAL A 126 6.371 -4.012 -6.445 1.00 0.00 C ATOM 642 CG2 VAL A 126 4.036 -4.870 -6.575 1.00 0.00 C ATOM 643 HA VAL A 126 4.987 -4.291 -4.098 1.00 0.00 H ATOM 644 HB VAL A 126 4.607 -2.833 -6.731 1.00 0.00 H ATOM 645 HG11 VAL A 126 6.979 -3.147 -6.179 1.00 0.00 H ATOM 646 HG12 VAL A 126 6.686 -4.874 -5.857 1.00 0.00 H ATOM 647 HG13 VAL A 126 6.493 -4.230 -7.506 1.00 0.00 H ATOM 648 HG21 VAL A 126 4.304 -5.752 -5.993 1.00 0.00 H ATOM 649 HG22 VAL A 126 2.989 -4.621 -6.399 1.00 0.00 H ATOM 650 HG23 VAL A 126 4.189 -5.072 -7.635 1.00 0.00 H ATOM 651 H VAL A 126 2.871 -2.346 -4.898 1.00 0.00 H ATOM 652 N TYR A 127 6.483 -2.438 -3.386 1.00 0.00 N ATOM 653 CA TYR A 127 7.381 -1.408 -2.930 1.00 0.00 C ATOM 654 C TYR A 127 8.349 -1.035 -4.007 1.00 0.00 C ATOM 655 O TYR A 127 9.149 -1.869 -4.474 1.00 0.00 O ATOM 656 CB TYR A 127 8.118 -1.835 -1.687 1.00 0.00 C ATOM 657 CG TYR A 127 7.213 -2.038 -0.519 1.00 0.00 C ATOM 658 CD1 TYR A 127 6.792 -0.954 0.225 1.00 0.00 C ATOM 659 CD2 TYR A 127 6.777 -3.306 -0.152 1.00 0.00 C ATOM 660 CE1 TYR A 127 5.963 -1.112 1.294 1.00 0.00 C ATOM 661 CE2 TYR A 127 5.950 -3.476 0.918 1.00 0.00 C ATOM 662 CZ TYR A 127 5.540 -2.364 1.644 1.00 0.00 C ATOM 663 OH TYR A 127 4.682 -2.498 2.700 1.00 0.00 O ATOM 664 HA TYR A 127 6.781 -0.532 -2.682 1.00 0.00 H ATOM 665 HB3 TYR A 127 8.848 -1.066 -1.433 1.00 0.00 H ATOM 666 HB2 TYR A 127 8.636 -2.772 -1.893 1.00 0.00 H ATOM 667 HD2 TYR A 127 7.100 -4.174 -0.726 1.00 0.00 H ATOM 668 HE2 TYR A 127 5.614 -4.473 1.201 1.00 0.00 H ATOM 669 HE1 TYR A 127 5.638 -0.244 1.868 1.00 0.00 H ATOM 670 HD1 TYR A 127 7.129 0.046 -0.048 1.00 0.00 H ATOM 671 HH TYR A 127 5.091 -3.086 3.384 1.00 0.00 H ATOM 672 H TYR A 127 6.564 -3.391 -2.977 1.00 0.00 H ATOM 673 N THR A 128 8.267 0.194 -4.391 1.00 0.00 N ATOM 674 CA THR A 128 9.046 0.746 -5.436 1.00 0.00 C ATOM 675 C THR A 128 10.526 0.754 -5.050 1.00 0.00 C ATOM 676 O THR A 128 10.885 1.153 -3.942 1.00 0.00 O ATOM 677 CB THR A 128 8.570 2.177 -5.675 1.00 0.00 C ATOM 678 OG1 THR A 128 7.136 2.162 -5.850 1.00 0.00 O ATOM 679 CG2 THR A 128 9.226 2.743 -6.905 1.00 0.00 C ATOM 680 HA THR A 128 8.932 0.147 -6.340 1.00 0.00 H ATOM 681 HB THR A 128 8.837 2.800 -4.822 1.00 0.00 H ATOM 682 HG1 THR A 128 6.814 3.085 -6.006 1.00 0.00 H ATOM 683 HG23 THR A 128 10.307 2.752 -6.767 1.00 0.00 H ATOM 684 HG21 THR A 128 8.973 2.125 -7.767 1.00 0.00 H ATOM 685 HG22 THR A 128 8.871 3.760 -7.069 1.00 0.00 H ATOM 686 H THR A 128 7.589 0.815 -3.905 1.00 0.00 H ATOM 687 N GLY A 129 11.362 0.275 -5.942 1.00 0.00 N ATOM 688 CA GLY A 129 12.779 0.254 -5.699 1.00 0.00 C ATOM 689 C GLY A 129 13.217 -1.064 -5.119 1.00 0.00 C ATOM 690 O GLY A 129 14.405 -1.413 -5.151 1.00 0.00 O ATOM 691 HA3 GLY A 129 13.031 1.051 -4.999 1.00 0.00 H ATOM 692 HA2 GLY A 129 13.303 0.419 -6.640 1.00 0.00 H ATOM 693 H GLY A 129 10.993 -0.096 -6.841 1.00 0.00 H ATOM 694 N TYR A 130 12.272 -1.791 -4.570 1.00 0.00 N ATOM 695 CA TYR A 130 12.565 -3.058 -3.951 1.00 0.00 C ATOM 696 C TYR A 130 11.974 -4.210 -4.737 1.00 0.00 C ATOM 697 O TYR A 130 12.630 -5.229 -4.947 1.00 0.00 O ATOM 698 CB TYR A 130 12.052 -3.077 -2.518 1.00 0.00 C ATOM 699 CG TYR A 130 12.585 -1.939 -1.690 1.00 0.00 C ATOM 700 CD1 TYR A 130 13.866 -1.977 -1.182 1.00 0.00 C ATOM 701 CD2 TYR A 130 11.807 -0.823 -1.431 1.00 0.00 C ATOM 702 CE1 TYR A 130 14.362 -0.938 -0.431 1.00 0.00 C ATOM 703 CE2 TYR A 130 12.294 0.225 -0.683 1.00 0.00 C ATOM 704 CZ TYR A 130 13.575 0.162 -0.184 1.00 0.00 C ATOM 705 OH TYR A 130 14.074 1.207 0.561 1.00 0.00 O ATOM 706 HA TYR A 130 13.648 -3.182 -3.943 1.00 0.00 H ATOM 707 HB3 TYR A 130 12.352 -4.016 -2.053 1.00 0.00 H ATOM 708 HB2 TYR A 130 10.964 -3.014 -2.537 1.00 0.00 H ATOM 709 HD2 TYR A 130 10.792 -0.774 -1.826 1.00 0.00 H ATOM 710 HE2 TYR A 130 11.670 1.097 -0.488 1.00 0.00 H ATOM 711 HE1 TYR A 130 15.376 -0.986 -0.033 1.00 0.00 H ATOM 712 HD1 TYR A 130 14.496 -2.845 -1.379 1.00 0.00 H ATOM 713 HH TYR A 130 15.001 0.999 0.839 1.00 0.00 H ATOM 714 H TYR A 130 11.291 -1.445 -4.582 1.00 0.00 H ATOM 715 N GLY A 131 10.738 -4.063 -5.150 1.00 0.00 N ATOM 716 CA GLY A 131 10.079 -5.117 -5.893 1.00 0.00 C ATOM 717 C GLY A 131 9.288 -6.036 -4.987 1.00 0.00 C ATOM 718 O GLY A 131 8.676 -6.996 -5.446 1.00 0.00 O ATOM 719 HA3 GLY A 131 10.833 -5.703 -6.418 1.00 0.00 H ATOM 720 HA2 GLY A 131 9.401 -4.667 -6.618 1.00 0.00 H ATOM 721 H GLY A 131 10.227 -3.182 -4.942 1.00 0.00 H ATOM 722 N ASN A 132 9.298 -5.740 -3.701 1.00 0.00 N ATOM 723 CA ASN A 132 8.554 -6.539 -2.719 1.00 0.00 C ATOM 724 C ASN A 132 7.092 -6.263 -2.840 1.00 0.00 C ATOM 725 O ASN A 132 6.699 -5.170 -3.217 1.00 0.00 O ATOM 726 CB ASN A 132 8.951 -6.207 -1.288 1.00 0.00 C ATOM 727 CG ASN A 132 10.230 -6.831 -0.786 1.00 0.00 C ATOM 728 OD1 ASN A 132 11.168 -7.121 -1.532 1.00 0.00 O ATOM 729 ND2 ASN A 132 10.287 -6.997 0.499 1.00 0.00 N ATOM 730 HA ASN A 132 8.787 -7.583 -2.929 1.00 0.00 H ATOM 731 HB2 ASN A 132 9.059 -5.125 -1.216 1.00 0.00 H ATOM 732 HB3 ASN A 132 8.143 -6.535 -0.634 1.00 0.00 H ATOM 733 HD22 ASN A 132 9.473 -6.739 1.093 1.00 0.00 H ATOM 734 HD21 ASN A 132 11.146 -7.388 0.935 1.00 0.00 H ATOM 735 H ASN A 132 9.847 -4.919 -3.374 1.00 0.00 H ATOM 736 N ARG A 133 6.293 -7.216 -2.485 1.00 0.00 N ATOM 737 CA ARG A 133 4.872 -7.049 -2.536 1.00 0.00 C ATOM 738 C ARG A 133 4.217 -7.637 -1.309 1.00 0.00 C ATOM 739 O ARG A 133 4.574 -8.734 -0.866 1.00 0.00 O ATOM 740 CB ARG A 133 4.296 -7.588 -3.865 1.00 0.00 C ATOM 741 CG ARG A 133 4.623 -9.030 -4.221 1.00 0.00 C ATOM 742 CD ARG A 133 3.678 -10.043 -3.601 1.00 0.00 C ATOM 743 NE ARG A 133 4.027 -11.396 -4.039 1.00 0.00 N ATOM 744 CZ ARG A 133 3.548 -12.532 -3.534 1.00 0.00 C ATOM 745 NH1 ARG A 133 2.657 -12.517 -2.542 1.00 0.00 N ATOM 746 NH2 ARG A 133 3.965 -13.682 -4.027 1.00 0.00 N ATOM 747 HA ARG A 133 4.640 -5.984 -2.521 1.00 0.00 H ATOM 748 HB2 ARG A 133 3.211 -7.499 -3.814 1.00 0.00 H ATOM 749 HB3 ARG A 133 4.674 -6.956 -4.669 1.00 0.00 H ATOM 750 HG2 ARG A 133 4.578 -9.136 -5.305 1.00 0.00 H ATOM 751 HG3 ARG A 133 5.634 -9.248 -3.878 1.00 0.00 H ATOM 752 HD2 ARG A 133 2.657 -9.817 -3.908 1.00 0.00 H ATOM 753 HD3 ARG A 133 3.751 -9.986 -2.515 1.00 0.00 H ATOM 754 HE ARG A 133 4.713 -11.478 -4.817 1.00 0.00 H ATOM 755 HH12 ARG A 133 2.292 -13.412 -2.158 1.00 0.00 H ATOM 756 HH11 ARG A 133 2.327 -11.611 -2.153 1.00 0.00 H ATOM 757 HH22 ARG A 133 3.599 -14.576 -3.642 1.00 0.00 H ATOM 758 HH21 ARG A 133 4.660 -13.695 -4.801 1.00 0.00 H ATOM 759 H ARG A 133 6.690 -8.120 -2.157 1.00 0.00 H ATOM 760 N GLU A 134 3.294 -6.912 -0.761 1.00 0.00 N ATOM 761 CA GLU A 134 2.598 -7.325 0.433 1.00 0.00 C ATOM 762 C GLU A 134 1.224 -6.707 0.426 1.00 0.00 C ATOM 763 O GLU A 134 0.970 -5.772 -0.340 1.00 0.00 O ATOM 764 CB GLU A 134 3.336 -6.992 1.734 1.00 0.00 C ATOM 765 CG GLU A 134 3.123 -5.608 2.234 1.00 0.00 C ATOM 766 CD GLU A 134 3.655 -5.399 3.629 1.00 0.00 C ATOM 767 OE1 GLU A 134 2.948 -5.741 4.590 1.00 0.00 O ATOM 768 OE2 GLU A 134 4.766 -4.873 3.795 1.00 0.00 O ATOM 769 HA GLU A 134 2.536 -8.413 0.413 1.00 0.00 H ATOM 770 HB2 GLU A 134 2.998 -7.687 2.503 1.00 0.00 H ATOM 771 HB3 GLU A 134 4.404 -7.131 1.564 1.00 0.00 H ATOM 772 HG2 GLU A 134 3.627 -4.914 1.562 1.00 0.00 H ATOM 773 HG3 GLU A 134 2.053 -5.399 2.235 1.00 0.00 H ATOM 774 H GLU A 134 3.046 -6.001 -1.197 1.00 0.00 H ATOM 775 N GLU A 135 0.335 -7.275 1.179 1.00 0.00 N ATOM 776 CA GLU A 135 -1.014 -6.829 1.213 1.00 0.00 C ATOM 777 C GLU A 135 -1.236 -5.819 2.356 1.00 0.00 C ATOM 778 O GLU A 135 -0.857 -6.044 3.521 1.00 0.00 O ATOM 779 CB GLU A 135 -1.930 -8.012 1.377 1.00 0.00 C ATOM 780 CG GLU A 135 -3.351 -7.724 0.973 1.00 0.00 C ATOM 781 CD GLU A 135 -4.268 -8.914 1.075 1.00 0.00 C ATOM 782 OE1 GLU A 135 -4.892 -9.114 2.141 1.00 0.00 O ATOM 783 OE2 GLU A 135 -4.433 -9.634 0.081 1.00 0.00 O ATOM 784 HA GLU A 135 -1.237 -6.324 0.273 1.00 0.00 H ATOM 785 HB2 GLU A 135 -1.554 -8.829 0.762 1.00 0.00 H ATOM 786 HB3 GLU A 135 -1.922 -8.314 2.424 1.00 0.00 H ATOM 787 HG2 GLU A 135 -3.738 -6.936 1.618 1.00 0.00 H ATOM 788 HG3 GLU A 135 -3.351 -7.378 -0.061 1.00 0.00 H ATOM 789 H GLU A 135 0.617 -8.079 1.775 1.00 0.00 H ATOM 790 N GLN A 136 -1.858 -4.748 2.004 1.00 0.00 N ATOM 791 CA GLN A 136 -2.177 -3.629 2.877 1.00 0.00 C ATOM 792 C GLN A 136 -3.635 -3.385 2.859 1.00 0.00 C ATOM 793 O GLN A 136 -4.335 -3.871 1.993 1.00 0.00 O ATOM 794 CB GLN A 136 -1.529 -2.330 2.435 1.00 0.00 C ATOM 795 CG GLN A 136 -0.206 -1.970 3.050 1.00 0.00 C ATOM 796 CD GLN A 136 0.902 -2.875 2.652 1.00 0.00 C ATOM 797 OE1 GLN A 136 0.856 -3.497 1.622 1.00 0.00 O ATOM 798 NE2 GLN A 136 1.944 -2.873 3.407 1.00 0.00 N ATOM 799 HA GLN A 136 -1.806 -3.904 3.864 1.00 0.00 H ATOM 800 HB2 GLN A 136 -1.383 -2.388 1.356 1.00 0.00 H ATOM 801 HB3 GLN A 136 -2.226 -1.523 2.663 1.00 0.00 H ATOM 802 HG2 GLN A 136 0.051 -0.956 2.745 1.00 0.00 H ATOM 803 HG3 GLN A 136 -0.309 -2.007 4.135 1.00 0.00 H ATOM 804 HE22 GLN A 136 1.946 -2.323 4.290 1.00 0.00 H ATOM 805 HE21 GLN A 136 2.785 -3.421 3.135 1.00 0.00 H ATOM 806 H GLN A 136 -2.158 -4.677 1.011 1.00 0.00 H ATOM 807 N ASN A 137 -4.090 -2.634 3.797 1.00 0.00 N ATOM 808 CA ASN A 137 -5.479 -2.264 3.846 1.00 0.00 C ATOM 809 C ASN A 137 -5.643 -0.989 3.063 1.00 0.00 C ATOM 810 O ASN A 137 -4.778 -0.119 3.118 1.00 0.00 O ATOM 811 CB ASN A 137 -5.966 -2.053 5.284 1.00 0.00 C ATOM 812 CG ASN A 137 -5.790 -3.268 6.158 1.00 0.00 C ATOM 813 OD1 ASN A 137 -6.664 -4.130 6.225 1.00 0.00 O ATOM 814 ND2 ASN A 137 -4.679 -3.350 6.840 1.00 0.00 N ATOM 815 HA ASN A 137 -6.076 -3.070 3.421 1.00 0.00 H ATOM 816 HB2 ASN A 137 -5.405 -1.227 5.722 1.00 0.00 H ATOM 817 HB3 ASN A 137 -7.025 -1.797 5.257 1.00 0.00 H ATOM 818 HD22 ASN A 137 -3.962 -2.601 6.758 1.00 0.00 H ATOM 819 HD21 ASN A 137 -4.511 -4.164 7.465 1.00 0.00 H ATOM 820 H ASN A 137 -3.443 -2.288 4.534 1.00 0.00 H ATOM 821 N LEU A 138 -6.739 -0.870 2.364 1.00 0.00 N ATOM 822 CA LEU A 138 -7.042 0.300 1.524 1.00 0.00 C ATOM 823 C LEU A 138 -7.056 1.578 2.363 1.00 0.00 C ATOM 824 O LEU A 138 -6.600 2.628 1.932 1.00 0.00 O ATOM 825 CB LEU A 138 -8.421 0.111 0.865 1.00 0.00 C ATOM 826 CG LEU A 138 -8.558 -1.076 -0.087 1.00 0.00 C ATOM 827 CD1 LEU A 138 -10.021 -1.344 -0.406 1.00 0.00 C ATOM 828 CD2 LEU A 138 -7.795 -0.805 -1.365 1.00 0.00 C ATOM 829 HA LEU A 138 -6.270 0.390 0.760 1.00 0.00 H ATOM 830 HB2 LEU A 138 -9.155 -0.014 1.661 1.00 0.00 H ATOM 831 HB3 LEU A 138 -8.648 1.017 0.302 1.00 0.00 H ATOM 832 HG LEU A 138 -8.142 -1.958 0.401 1.00 0.00 H ATOM 833 HD21 LEU A 138 -8.197 0.088 -1.844 1.00 0.00 H ATOM 834 HD22 LEU A 138 -6.741 -0.651 -1.132 1.00 0.00 H ATOM 835 HD23 LEU A 138 -7.899 -1.657 -2.037 1.00 0.00 H ATOM 836 HD11 LEU A 138 -10.558 -1.568 0.516 1.00 0.00 H ATOM 837 HD12 LEU A 138 -10.456 -0.462 -0.877 1.00 0.00 H ATOM 838 HD13 LEU A 138 -10.094 -2.193 -1.085 1.00 0.00 H ATOM 839 H LEU A 138 -7.434 -1.642 2.403 1.00 0.00 H ATOM 840 N SER A 139 -7.544 1.452 3.570 1.00 0.00 N ATOM 841 CA SER A 139 -7.681 2.564 4.468 1.00 0.00 C ATOM 842 C SER A 139 -6.336 2.894 5.121 1.00 0.00 C ATOM 843 O SER A 139 -6.140 3.986 5.646 1.00 0.00 O ATOM 844 CB SER A 139 -8.712 2.204 5.535 1.00 0.00 C ATOM 845 OG SER A 139 -9.312 3.358 6.090 1.00 0.00 O ATOM 846 HA SER A 139 -8.011 3.443 3.915 1.00 0.00 H ATOM 847 HB2 SER A 139 -8.218 1.645 6.330 1.00 0.00 H ATOM 848 HB3 SER A 139 -9.487 1.584 5.084 1.00 0.00 H ATOM 849 HG SER A 139 -9.767 3.868 5.374 1.00 0.00 H ATOM 850 H SER A 139 -7.844 0.510 3.892 1.00 0.00 H ATOM 851 N ASP A 140 -5.410 1.957 5.044 1.00 0.00 N ATOM 852 CA ASP A 140 -4.106 2.115 5.692 1.00 0.00 C ATOM 853 C ASP A 140 -3.157 2.772 4.756 1.00 0.00 C ATOM 854 O ASP A 140 -2.223 3.409 5.173 1.00 0.00 O ATOM 855 CB ASP A 140 -3.545 0.770 6.091 1.00 0.00 C ATOM 856 CG ASP A 140 -2.550 0.852 7.245 1.00 0.00 C ATOM 857 OD1 ASP A 140 -1.348 1.011 7.019 1.00 0.00 O ATOM 858 OD2 ASP A 140 -2.970 0.717 8.415 1.00 0.00 O ATOM 859 HA ASP A 140 -4.238 2.728 6.583 1.00 0.00 H ATOM 860 HB2 ASP A 140 -4.371 0.125 6.391 1.00 0.00 H ATOM 861 HB3 ASP A 140 -3.040 0.335 5.228 1.00 0.00 H ATOM 862 H ASP A 140 -5.611 1.087 4.511 1.00 0.00 H ATOM 863 N LEU A 141 -3.396 2.564 3.479 1.00 0.00 N ATOM 864 CA LEU A 141 -2.585 3.165 2.411 1.00 0.00 C ATOM 865 C LEU A 141 -2.510 4.669 2.536 1.00 0.00 C ATOM 866 O LEU A 141 -3.533 5.356 2.737 1.00 0.00 O ATOM 867 CB LEU A 141 -3.113 2.842 1.026 1.00 0.00 C ATOM 868 CG LEU A 141 -3.127 1.400 0.583 1.00 0.00 C ATOM 869 CD1 LEU A 141 -3.573 1.328 -0.860 1.00 0.00 C ATOM 870 CD2 LEU A 141 -1.765 0.784 0.736 1.00 0.00 C ATOM 871 HA LEU A 141 -1.593 2.729 2.532 1.00 0.00 H ATOM 872 HB2 LEU A 141 -4.140 3.204 0.980 1.00 0.00 H ATOM 873 HB3 LEU A 141 -2.502 3.393 0.311 1.00 0.00 H ATOM 874 HG LEU A 141 -3.823 0.842 1.209 1.00 0.00 H ATOM 875 HD21 LEU A 141 -1.048 1.334 0.126 1.00 0.00 H ATOM 876 HD22 LEU A 141 -1.463 0.829 1.782 1.00 0.00 H ATOM 877 HD23 LEU A 141 -1.799 -0.256 0.411 1.00 0.00 H ATOM 878 HD11 LEU A 141 -4.574 1.749 -0.951 1.00 0.00 H ATOM 879 HD12 LEU A 141 -2.881 1.896 -1.482 1.00 0.00 H ATOM 880 HD13 LEU A 141 -3.584 0.287 -1.184 1.00 0.00 H ATOM 881 H LEU A 141 -4.192 1.949 3.215 1.00 0.00 H ATOM 882 N LEU A 142 -1.323 5.176 2.380 1.00 0.00 N ATOM 883 CA LEU A 142 -1.071 6.583 2.504 1.00 0.00 C ATOM 884 C LEU A 142 -0.758 7.159 1.147 1.00 0.00 C ATOM 885 O LEU A 142 -0.502 6.407 0.196 1.00 0.00 O ATOM 886 CB LEU A 142 0.095 6.884 3.468 1.00 0.00 C ATOM 887 CG LEU A 142 -0.026 6.361 4.908 1.00 0.00 C ATOM 888 CD1 LEU A 142 0.341 4.883 5.014 1.00 0.00 C ATOM 889 CD2 LEU A 142 0.783 7.216 5.873 1.00 0.00 C ATOM 890 HA LEU A 142 -1.969 7.043 2.917 1.00 0.00 H ATOM 891 HB2 LEU A 142 0.997 6.450 3.037 1.00 0.00 H ATOM 892 HB3 LEU A 142 0.205 7.967 3.521 1.00 0.00 H ATOM 893 HG LEU A 142 -1.074 6.442 5.196 1.00 0.00 H ATOM 894 HD21 LEU A 142 1.833 7.196 5.582 1.00 0.00 H ATOM 895 HD22 LEU A 142 0.416 8.242 5.843 1.00 0.00 H ATOM 896 HD23 LEU A 142 0.677 6.821 6.883 1.00 0.00 H ATOM 897 HD11 LEU A 142 -0.327 4.298 4.382 1.00 0.00 H ATOM 898 HD12 LEU A 142 1.371 4.741 4.686 1.00 0.00 H ATOM 899 HD13 LEU A 142 0.241 4.558 6.050 1.00 0.00 H ATOM 900 H LEU A 142 -0.530 4.541 2.158 1.00 0.00 H ATOM 901 N SER A 143 -0.767 8.472 1.066 1.00 0.00 N ATOM 902 CA SER A 143 -0.470 9.192 -0.152 1.00 0.00 C ATOM 903 C SER A 143 0.981 8.881 -0.567 1.00 0.00 C ATOM 904 O SER A 143 1.848 8.712 0.295 1.00 0.00 O ATOM 905 CB SER A 143 -0.664 10.708 0.102 1.00 0.00 C ATOM 906 OG SER A 143 -0.446 11.489 -1.064 1.00 0.00 O ATOM 907 HA SER A 143 -1.138 8.887 -0.958 1.00 0.00 H ATOM 908 HB2 SER A 143 0.039 11.026 0.872 1.00 0.00 H ATOM 909 HB3 SER A 143 -1.683 10.876 0.450 1.00 0.00 H ATOM 910 HG SER A 143 -0.582 12.446 -0.849 1.00 0.00 H ATOM 911 H SER A 143 -0.999 9.019 1.920 1.00 0.00 H ATOM 912 N PRO A 144 1.250 8.755 -1.876 1.00 0.00 N ATOM 913 CA PRO A 144 2.582 8.406 -2.401 1.00 0.00 C ATOM 914 C PRO A 144 3.636 9.479 -2.160 1.00 0.00 C ATOM 915 O PRO A 144 3.375 10.530 -1.554 1.00 0.00 O ATOM 916 CB PRO A 144 2.340 8.267 -3.905 1.00 0.00 C ATOM 917 CG PRO A 144 1.147 9.114 -4.170 1.00 0.00 C ATOM 918 CD PRO A 144 0.274 8.953 -2.968 1.00 0.00 C ATOM 919 HA PRO A 144 2.970 7.514 -1.909 1.00 0.00 H ATOM 920 HD3 PRO A 144 -0.329 9.845 -2.799 1.00 0.00 H ATOM 921 HD2 PRO A 144 -0.381 8.088 -3.071 1.00 0.00 H ATOM 922 HG3 PRO A 144 0.629 8.774 -5.067 1.00 0.00 H ATOM 923 HG2 PRO A 144 1.439 10.157 -4.293 1.00 0.00 H ATOM 924 HB2 PRO A 144 3.201 8.626 -4.469 1.00 0.00 H ATOM 925 HB3 PRO A 144 2.142 7.228 -4.169 1.00 0.00 H ATOM 926 N ILE A 145 4.809 9.213 -2.655 1.00 0.00 N ATOM 927 CA ILE A 145 5.915 10.118 -2.544 1.00 0.00 C ATOM 928 C ILE A 145 5.875 11.119 -3.696 1.00 0.00 C ATOM 929 O ILE A 145 5.060 10.989 -4.620 1.00 0.00 O ATOM 930 CB ILE A 145 7.268 9.363 -2.545 1.00 0.00 C ATOM 931 CG1 ILE A 145 7.369 8.434 -3.763 1.00 0.00 C ATOM 932 CG2 ILE A 145 7.438 8.584 -1.247 1.00 0.00 C ATOM 933 CD1 ILE A 145 8.721 7.781 -3.949 1.00 0.00 C ATOM 934 HA ILE A 145 5.829 10.646 -1.594 1.00 0.00 H ATOM 935 HB ILE A 145 8.075 10.093 -2.614 1.00 0.00 H ATOM 936 HG12 ILE A 145 6.623 7.647 -3.653 1.00 0.00 H ATOM 937 HG13 ILE A 145 7.148 9.019 -4.656 1.00 0.00 H ATOM 938 HD11 ILE A 145 9.481 8.552 -4.076 1.00 0.00 H ATOM 939 HD12 ILE A 145 8.956 7.178 -3.072 1.00 0.00 H ATOM 940 HD13 ILE A 145 8.697 7.144 -4.833 1.00 0.00 H ATOM 941 HG21 ILE A 145 7.415 9.275 -0.404 1.00 0.00 H ATOM 942 HG22 ILE A 145 6.627 7.863 -1.149 1.00 0.00 H ATOM 943 HG23 ILE A 145 8.393 8.059 -1.262 1.00 0.00 H ATOM 944 H ILE A 145 4.950 8.309 -3.150 1.00 0.00 H ATOM 945 N CYS A 146 6.764 12.075 -3.677 1.00 0.00 N ATOM 946 CA CYS A 146 6.809 13.126 -4.684 1.00 0.00 C ATOM 947 C CYS A 146 7.676 12.726 -5.866 1.00 0.00 C ATOM 948 O CYS A 146 8.414 13.531 -6.450 1.00 0.00 O ATOM 949 CB CYS A 146 7.331 14.376 -4.072 1.00 0.00 C ATOM 950 SG CYS A 146 6.382 14.967 -2.647 1.00 0.00 S ATOM 951 HA CYS A 146 5.797 13.290 -5.054 1.00 0.00 H ATOM 952 HB2 CYS A 146 7.325 15.156 -4.833 1.00 0.00 H ATOM 953 HB3 CYS A 146 8.356 14.195 -3.748 1.00 0.00 H ATOM 954 HG CYS A 146 6.955 16.126 -2.164 1.00 0.00 H ATOM 955 H CYS A 146 7.468 12.086 -2.912 1.00 0.00 H ATOM 956 N GLU A 147 7.507 11.541 -6.234 1.00 0.00 N ATOM 957 CA GLU A 147 8.205 10.907 -7.331 1.00 0.00 C ATOM 958 C GLU A 147 7.200 10.183 -8.196 1.00 0.00 C ATOM 959 O GLU A 147 6.934 10.639 -9.322 1.00 0.00 O ATOM 960 CB GLU A 147 9.289 9.943 -6.837 1.00 0.00 C ATOM 961 CG GLU A 147 10.449 10.618 -6.117 1.00 0.00 C ATOM 962 CD GLU A 147 11.500 9.639 -5.665 1.00 0.00 C ATOM 963 OE1 GLU A 147 12.132 8.991 -6.522 1.00 0.00 O ATOM 964 OE2 GLU A 147 11.707 9.491 -4.447 1.00 0.00 O ATOM 965 HA GLU A 147 8.711 11.676 -7.915 1.00 0.00 H ATOM 966 OXT GLU A 147 6.588 9.204 -7.718 1.00 0.00 O ATOM 967 HB2 GLU A 147 8.828 9.233 -6.150 1.00 0.00 H ATOM 968 HB3 GLU A 147 9.687 9.407 -7.698 1.00 0.00 H ATOM 969 HG2 GLU A 147 10.910 11.337 -6.795 1.00 0.00 H ATOM 970 HG3 GLU A 147 10.061 11.141 -5.243 1.00 0.00 H ATOM 971 H GLU A 147 6.813 10.970 -5.712 1.00 0.00 H TER 972 GLU A 147 HETATM 973 C1 DA A 2 9.729 -1.521 1.890 1.00 0.05 C HETATM 974 NH1 DA A 2 10.586 -2.610 1.506 1.00 -0.27 N HETATM 975 C2 DA A 2 10.035 -3.692 0.717 1.00 0.05 C HETATM 976 H DA A 2 10.566 -3.754 -0.233 1.00 0.07 H HETATM 977 H DA A 2 10.149 -4.630 1.260 1.00 0.07 H HETATM 978 H DA A 2 8.977 -3.503 0.532 1.00 0.07 H HETATM 979 CZ DA A 2 11.838 -2.625 1.847 1.00 0.29 C HETATM 980 NE DA A 2 12.568 -3.649 1.465 1.00 -0.27 N HETATM 981 CD DA A 2 13.978 -3.864 1.732 1.00 0.06 C HETATM 982 CG DA A 2 14.301 -5.342 1.721 1.00 -0.01 C HETATM 983 CB DA A 2 13.987 -5.969 0.368 1.00 0.01 C HETATM 984 CA DA A 2 14.310 -7.470 0.267 1.00 0.03 C HETATM 985 N DA A 2 13.811 -8.009 -0.983 1.00 0.23 N HETATM 986 H DA A 2 14.238 -7.508 -1.762 1.00 0.20 H HETATM 987 H DA A 2 14.048 -8.999 -1.044 1.00 0.20 H HETATM 988 H DA A 2 12.798 -7.898 -1.020 1.00 0.20 H HETATM 989 C DA A 2 13.660 -8.232 1.385 1.00 0.08 C HETATM 990 OA1 DA A 2 14.362 -8.857 2.184 1.00 -0.56 O HETATM 991 OA2 DA A 2 12.430 -8.279 1.422 1.00 -0.56 O HETATM 992 H DA A 2 15.393 -7.575 0.324 1.00 0.10 H HETATM 993 H DA A 2 12.914 -5.863 0.210 1.00 0.03 H HETATM 994 H DA A 2 14.607 -5.460 -0.370 1.00 0.03 H HETATM 995 H DA A 2 15.365 -5.465 1.921 1.00 0.03 H HETATM 996 H DA A 2 13.694 -5.835 2.480 1.00 0.03 H HETATM 997 H DA A 2 14.564 -3.368 0.958 1.00 0.07 H HETATM 998 H DA A 2 14.218 -3.457 2.714 1.00 0.07 H HETATM 999 H DA A 2 12.092 -4.370 0.923 1.00 0.26 H HETATM 1000 NH2 DA A 2 12.335 -1.640 2.544 1.00 -0.28 N HETATM 1001 H DA A 2 13.320 -1.649 2.809 1.00 0.26 H HETATM 1002 H DA A 2 11.739 -0.861 2.823 1.00 0.26 H HETATM 1003 H DA A 2 9.698 -1.451 2.977 1.00 0.07 H HETATM 1004 H DA A 2 10.118 -0.591 1.475 1.00 0.07 H HETATM 1005 H DA A 2 8.724 -1.699 1.508 1.00 0.07 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 973 974 1003 1004 1005 CONECT 974 973 975 979 CONECT 975 974 976 977 978 CONECT 976 975 CONECT 977 975 CONECT 978 975 CONECT 979 974 980 1000 CONECT 980 979 981 999 CONECT 981 980 982 997 998 CONECT 982 981 983 995 996 CONECT 983 982 984 993 994 CONECT 984 983 985 989 992 CONECT 985 984 986 987 988 CONECT 986 985 CONECT 987 985 CONECT 988 985 CONECT 989 984 990 991 CONECT 990 989 CONECT 991 989 CONECT 992 984 CONECT 993 983 CONECT 994 983 CONECT 995 982 CONECT 996 982 CONECT 997 981 CONECT 998 981 CONECT 999 980 CONECT 1000 979 1001 1002 CONECT 1001 1000 CONECT 1002 1000 CONECT 1003 973 CONECT 1004 973 CONECT 1005 973 MASTER 0 0 0 0 0 0 0 0 1004 1 37 5 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4a4g
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4a4e
RCSB PDB
PDBbind
64aa, >4A4E_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4a4h
RCSB PDB
PDBbind
DA2
Entry Information
PDB ID
4a4g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Tudor domain of SURVIVAL MOTOR NEURON PROTEIN
Ligand Name
DA2
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.025mM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Nat.Struct.Mol.Biol. Vol. 18: pp. 1414
Ligand Properties
Formula
C
8
H
2
0
N
4
O
2
Molecular Weight
204.270
Exact Mass
204.159
No. of atoms
34
No. of bonds
33
Polar Surface Area
108.17
LOGP Value
-2.11 (
Computed with XLOGP3
)
-2.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 0
Canonical SMILES
OC(=O)[C@H](CCC/[NH+]=C(/N(C)C)\N)[NH3+]
InChI String
InChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/p+2/t6-/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):
Q16637
Entrez Gene ID
NCBI Entrez Gene ID:
6606
6607
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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