Browse entries in the PDBbind-CN Database
HEADER 2EXG_COMPLEX COMPND 2EXG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 GLY PRO LEU GLY SER LEU ARG LYS GLU PRO GLU ILE ILE SEQRES 2 A 101 THR VAL THR LEU LYS LYS GLN ASN GLY MET GLY LEU SER SEQRES 3 A 101 ILE VAL ALA ALA LYS GLY ALA GLY GLN ASP LYS LEU GLY SEQRES 4 A 101 ILE TYR VAL LYS SER VAL VAL LYS GLY GLY ALA ALA ASP SEQRES 5 A 101 VAL ASP GLY ARG LEU ALA ALA GLY ASP GLN LEU LEU SER SEQRES 6 A 101 VAL ASP GLY ARG SER LEU VAL GLY LEU SER GLN GLU ARG SEQRES 7 A 101 ALA ALA GLU LEU MET THR ARG THR SER SER VAL VAL THR SEQRES 8 A 101 LEU GLU VAL ALA LYS GLN GLY ALA ILE TYR HET STF A 102 26 ATOM 1 N GLY A 1 2.601 -0.427 -18.962 1.00 0.00 N ATOM 2 CA GLY A 1 1.465 -1.262 -18.547 1.00 0.00 C ATOM 3 C GLY A 1 0.189 -0.445 -18.466 1.00 0.00 C ATOM 4 O GLY A 1 0.275 0.777 -18.382 1.00 0.00 O ATOM 5 HA3 GLY A 1 1.677 -1.691 -17.567 1.00 0.00 H ATOM 6 HA2 GLY A 1 1.329 -2.065 -19.272 1.00 0.00 H ATOM 7 HN3 GLY A 1 2.738 0.338 -18.271 1.00 0.00 H ATOM 8 HN2 GLY A 1 2.406 -0.019 -19.899 1.00 0.00 H ATOM 9 HN1 GLY A 1 3.460 -1.011 -19.009 1.00 0.00 H ATOM 10 N PRO A 2 -0.987 -1.094 -18.521 1.00 0.00 N ATOM 11 CA PRO A 2 -2.275 -0.432 -18.322 1.00 0.00 C ATOM 12 C PRO A 2 -2.495 -0.084 -16.841 1.00 0.00 C ATOM 13 O PRO A 2 -1.785 -0.584 -15.967 1.00 0.00 O ATOM 14 CB PRO A 2 -3.311 -1.453 -18.814 1.00 0.00 C ATOM 15 CG PRO A 2 -2.657 -2.795 -18.481 1.00 0.00 C ATOM 16 CD PRO A 2 -1.169 -2.528 -18.707 1.00 0.00 C ATOM 17 HA PRO A 2 -2.342 0.514 -18.860 1.00 0.00 H ATOM 18 HD3 PRO A 2 -0.570 -3.083 -17.985 1.00 0.00 H ATOM 19 HD2 PRO A 2 -0.880 -2.819 -19.717 1.00 0.00 H ATOM 20 HG3 PRO A 2 -3.018 -3.581 -19.145 1.00 0.00 H ATOM 21 HG2 PRO A 2 -2.850 -3.078 -17.446 1.00 0.00 H ATOM 22 HB2 PRO A 2 -4.258 -1.336 -18.286 1.00 0.00 H ATOM 23 HB3 PRO A 2 -3.480 -1.355 -19.886 1.00 0.00 H ATOM 24 N LEU A 3 -3.521 0.717 -16.558 1.00 0.00 N ATOM 25 CA LEU A 3 -4.035 0.952 -15.209 1.00 0.00 C ATOM 26 C LEU A 3 -5.533 1.240 -15.300 1.00 0.00 C ATOM 27 O LEU A 3 -5.989 1.820 -16.289 1.00 0.00 O ATOM 28 CB LEU A 3 -3.219 2.048 -14.487 1.00 0.00 C ATOM 29 CG LEU A 3 -3.213 3.453 -15.124 1.00 0.00 C ATOM 30 CD1 LEU A 3 -4.367 4.336 -14.642 1.00 0.00 C ATOM 31 CD2 LEU A 3 -1.920 4.181 -14.745 1.00 0.00 C ATOM 32 HA LEU A 3 -3.913 0.064 -14.589 1.00 0.00 H ATOM 33 HB2 LEU A 3 -3.620 2.146 -13.478 1.00 0.00 H ATOM 34 HB3 LEU A 3 -2.185 1.707 -14.434 1.00 0.00 H ATOM 35 HG LEU A 3 -3.308 3.297 -16.199 1.00 0.00 H ATOM 36 HD21 LEU A 3 -1.861 4.273 -13.661 1.00 0.00 H ATOM 37 HD22 LEU A 3 -1.064 3.613 -15.110 1.00 0.00 H ATOM 38 HD23 LEU A 3 -1.918 5.173 -15.196 1.00 0.00 H ATOM 39 HD11 LEU A 3 -5.315 3.862 -14.895 1.00 0.00 H ATOM 40 HD12 LEU A 3 -4.299 4.462 -13.561 1.00 0.00 H ATOM 41 HD13 LEU A 3 -4.305 5.310 -15.128 1.00 0.00 H ATOM 42 H LEU A 3 -3.987 1.207 -17.348 1.00 0.00 H ATOM 43 N GLY A 4 -6.291 0.767 -14.311 1.00 0.00 N ATOM 44 CA GLY A 4 -7.736 0.920 -14.243 1.00 0.00 C ATOM 45 C GLY A 4 -8.182 2.312 -13.802 1.00 0.00 C ATOM 46 O GLY A 4 -7.905 3.322 -14.452 1.00 0.00 O ATOM 47 HA3 GLY A 4 -8.127 0.191 -13.533 1.00 0.00 H ATOM 48 HA2 GLY A 4 -8.151 0.722 -15.231 1.00 0.00 H ATOM 49 H GLY A 4 -5.819 0.256 -13.538 1.00 0.00 H ATOM 50 N SER A 5 -8.961 2.359 -12.725 1.00 0.00 N ATOM 51 CA SER A 5 -9.404 3.613 -12.107 1.00 0.00 C ATOM 52 C SER A 5 -9.726 3.377 -10.636 1.00 0.00 C ATOM 53 O SER A 5 -9.041 3.888 -9.751 1.00 0.00 O ATOM 54 CB SER A 5 -10.630 4.153 -12.859 1.00 0.00 C ATOM 55 OG SER A 5 -10.915 5.485 -12.481 1.00 0.00 O ATOM 56 HA SER A 5 -8.607 4.355 -12.168 1.00 0.00 H ATOM 57 HB2 SER A 5 -11.492 3.526 -12.631 1.00 0.00 H ATOM 58 HB3 SER A 5 -10.433 4.122 -13.931 1.00 0.00 H ATOM 59 HG SER A 5 -11.708 5.806 -12.980 1.00 0.00 H ATOM 60 H SER A 5 -9.271 1.462 -12.300 1.00 0.00 H ATOM 61 N LEU A 6 -10.719 2.523 -10.385 1.00 0.00 N ATOM 62 CA LEU A 6 -11.140 2.062 -9.068 1.00 0.00 C ATOM 63 C LEU A 6 -12.060 0.851 -9.242 1.00 0.00 C ATOM 64 O LEU A 6 -13.042 0.905 -9.983 1.00 0.00 O ATOM 65 CB LEU A 6 -11.826 3.209 -8.286 1.00 0.00 C ATOM 66 CG LEU A 6 -13.084 3.840 -8.931 1.00 0.00 C ATOM 67 CD1 LEU A 6 -14.370 3.367 -8.248 1.00 0.00 C ATOM 68 CD2 LEU A 6 -13.044 5.365 -8.818 1.00 0.00 C ATOM 69 HA LEU A 6 -10.274 1.757 -8.481 1.00 0.00 H ATOM 70 HB2 LEU A 6 -12.117 2.816 -7.312 1.00 0.00 H ATOM 71 HB3 LEU A 6 -11.091 4.003 -8.152 1.00 0.00 H ATOM 72 HG LEU A 6 -13.083 3.527 -9.975 1.00 0.00 H ATOM 73 HD21 LEU A 6 -13.007 5.649 -7.766 1.00 0.00 H ATOM 74 HD22 LEU A 6 -12.159 5.743 -9.329 1.00 0.00 H ATOM 75 HD23 LEU A 6 -13.938 5.786 -9.278 1.00 0.00 H ATOM 76 HD11 LEU A 6 -14.448 2.283 -8.333 1.00 0.00 H ATOM 77 HD12 LEU A 6 -14.346 3.649 -7.195 1.00 0.00 H ATOM 78 HD13 LEU A 6 -15.229 3.833 -8.731 1.00 0.00 H ATOM 79 H LEU A 6 -11.241 2.152 -11.204 1.00 0.00 H ATOM 80 N ARG A 7 -11.737 -0.250 -8.566 1.00 0.00 N ATOM 81 CA ARG A 7 -12.567 -1.456 -8.470 1.00 0.00 C ATOM 82 C ARG A 7 -12.091 -2.264 -7.272 1.00 0.00 C ATOM 83 O ARG A 7 -10.967 -2.086 -6.810 1.00 0.00 O ATOM 84 CB ARG A 7 -12.496 -2.272 -9.782 1.00 0.00 C ATOM 85 CG ARG A 7 -13.885 -2.379 -10.441 1.00 0.00 C ATOM 86 CD ARG A 7 -13.838 -2.988 -11.847 1.00 0.00 C ATOM 87 NE ARG A 7 -13.126 -2.116 -12.798 1.00 0.00 N ATOM 88 CZ ARG A 7 -13.637 -1.132 -13.517 1.00 0.00 C ATOM 89 NH1 ARG A 7 -14.920 -0.898 -13.549 1.00 0.00 N ATOM 90 NH2 ARG A 7 -12.874 -0.356 -14.220 1.00 0.00 N ATOM 91 HA ARG A 7 -13.614 -1.188 -8.327 1.00 0.00 H ATOM 92 HB2 ARG A 7 -11.811 -1.780 -10.472 1.00 0.00 H ATOM 93 HB3 ARG A 7 -12.128 -3.274 -9.560 1.00 0.00 H ATOM 94 HG2 ARG A 7 -14.520 -3.004 -9.813 1.00 0.00 H ATOM 95 HG3 ARG A 7 -14.315 -1.380 -10.510 1.00 0.00 H ATOM 96 HD2 ARG A 7 -14.858 -3.138 -12.201 1.00 0.00 H ATOM 97 HD3 ARG A 7 -13.327 -3.949 -11.798 1.00 0.00 H ATOM 98 HE ARG A 7 -12.108 -2.295 -12.916 1.00 0.00 H ATOM 99 HH12 ARG A 7 -15.292 -0.116 -14.125 1.00 0.00 H ATOM 100 HH11 ARG A 7 -15.571 -1.494 -12.999 1.00 0.00 H ATOM 101 HH22 ARG A 7 -13.291 0.414 -14.781 1.00 0.00 H ATOM 102 HH21 ARG A 7 -11.844 -0.503 -14.224 1.00 0.00 H ATOM 103 H ARG A 7 -10.825 -0.255 -8.067 1.00 0.00 H ATOM 104 N LYS A 8 -12.959 -3.105 -6.713 1.00 0.00 N ATOM 105 CA LYS A 8 -12.609 -3.939 -5.554 1.00 0.00 C ATOM 106 C LYS A 8 -12.037 -5.281 -6.021 1.00 0.00 C ATOM 107 O LYS A 8 -12.648 -6.327 -5.843 1.00 0.00 O ATOM 108 CB LYS A 8 -13.768 -3.991 -4.525 1.00 0.00 C ATOM 109 CG LYS A 8 -13.517 -3.090 -3.293 1.00 0.00 C ATOM 110 CD LYS A 8 -13.483 -1.573 -3.558 1.00 0.00 C ATOM 111 CE LYS A 8 -13.065 -0.823 -2.280 1.00 0.00 C ATOM 112 NZ LYS A 8 -13.068 0.652 -2.452 1.00 0.00 N ATOM 113 HA LYS A 8 -11.798 -3.485 -4.985 1.00 0.00 H ATOM 114 HB2 LYS A 8 -14.685 -3.663 -5.016 1.00 0.00 H ATOM 115 HB3 LYS A 8 -13.887 -5.020 -4.186 1.00 0.00 H ATOM 116 HG2 LYS A 8 -14.310 -3.284 -2.571 1.00 0.00 H ATOM 117 HG3 LYS A 8 -12.557 -3.375 -2.862 1.00 0.00 H ATOM 118 HD2 LYS A 8 -12.767 -1.361 -4.352 1.00 0.00 H ATOM 119 HD3 LYS A 8 -14.474 -1.238 -3.866 1.00 0.00 H ATOM 120 HE2 LYS A 8 -12.059 -1.140 -2.003 1.00 0.00 H ATOM 121 HE3 LYS A 8 -13.759 -1.082 -1.481 1.00 0.00 H ATOM 122 HZ1 LYS A 8 -12.402 0.913 -3.207 1.00 0.00 H ATOM 123 HZ2 LYS A 8 -14.025 0.968 -2.708 1.00 0.00 H ATOM 124 HZ3 LYS A 8 -12.779 1.104 -1.561 1.00 0.00 H ATOM 125 H LYS A 8 -13.918 -3.174 -7.110 1.00 0.00 H ATOM 126 N GLU A 9 -10.854 -5.228 -6.633 1.00 0.00 N ATOM 127 CA GLU A 9 -10.143 -6.405 -7.142 1.00 0.00 C ATOM 128 C GLU A 9 -8.607 -6.233 -7.045 1.00 0.00 C ATOM 129 O GLU A 9 -8.149 -5.134 -6.731 1.00 0.00 O ATOM 130 CB GLU A 9 -10.711 -6.750 -8.537 1.00 0.00 C ATOM 131 CG GLU A 9 -10.188 -5.914 -9.709 1.00 0.00 C ATOM 132 CD GLU A 9 -11.038 -6.142 -10.971 1.00 0.00 C ATOM 133 OE1 GLU A 9 -11.575 -7.260 -11.176 1.00 0.00 O ATOM 134 OE2 GLU A 9 -11.236 -5.180 -11.749 1.00 0.00 O ATOM 135 HA GLU A 9 -10.320 -7.280 -6.517 1.00 0.00 H ATOM 136 HB2 GLU A 9 -10.476 -7.794 -8.743 1.00 0.00 H ATOM 137 HB3 GLU A 9 -11.793 -6.624 -8.496 1.00 0.00 H ATOM 138 HG2 GLU A 9 -10.226 -4.859 -9.439 1.00 0.00 H ATOM 139 HG3 GLU A 9 -9.156 -6.198 -9.917 1.00 0.00 H ATOM 140 H GLU A 9 -10.409 -4.296 -6.757 1.00 0.00 H ATOM 141 N PRO A 10 -7.805 -7.310 -7.191 1.00 0.00 N ATOM 142 CA PRO A 10 -6.356 -7.256 -7.016 1.00 0.00 C ATOM 143 C PRO A 10 -5.693 -6.614 -8.236 1.00 0.00 C ATOM 144 O PRO A 10 -5.825 -7.102 -9.359 1.00 0.00 O ATOM 145 CB PRO A 10 -5.923 -8.710 -6.823 1.00 0.00 C ATOM 146 CG PRO A 10 -6.930 -9.501 -7.651 1.00 0.00 C ATOM 147 CD PRO A 10 -8.209 -8.670 -7.534 1.00 0.00 C ATOM 148 HA PRO A 10 -6.059 -6.644 -6.164 1.00 0.00 H ATOM 149 HD3 PRO A 10 -8.746 -8.673 -8.483 1.00 0.00 H ATOM 150 HD2 PRO A 10 -8.851 -9.078 -6.753 1.00 0.00 H ATOM 151 HG3 PRO A 10 -7.074 -10.501 -7.241 1.00 0.00 H ATOM 152 HG2 PRO A 10 -6.608 -9.579 -8.689 1.00 0.00 H ATOM 153 HB2 PRO A 10 -4.909 -8.866 -7.191 1.00 0.00 H ATOM 154 HB3 PRO A 10 -5.974 -8.995 -5.772 1.00 0.00 H ATOM 155 N GLU A 11 -4.992 -5.507 -8.023 1.00 0.00 N ATOM 156 CA GLU A 11 -4.567 -4.608 -9.097 1.00 0.00 C ATOM 157 C GLU A 11 -3.511 -3.610 -8.592 1.00 0.00 C ATOM 158 O GLU A 11 -3.214 -3.509 -7.395 1.00 0.00 O ATOM 159 CB GLU A 11 -5.785 -3.842 -9.717 1.00 0.00 C ATOM 160 CG GLU A 11 -5.645 -3.623 -11.244 1.00 0.00 C ATOM 161 CD GLU A 11 -6.637 -2.603 -11.857 1.00 0.00 C ATOM 162 OE1 GLU A 11 -7.869 -2.811 -11.748 1.00 0.00 O ATOM 163 OE2 GLU A 11 -6.175 -1.650 -12.537 1.00 0.00 O ATOM 164 HA GLU A 11 -4.120 -5.222 -9.879 1.00 0.00 H ATOM 165 HB2 GLU A 11 -6.691 -4.419 -9.530 1.00 0.00 H ATOM 166 HB3 GLU A 11 -5.868 -2.869 -9.232 1.00 0.00 H ATOM 167 HG2 GLU A 11 -4.633 -3.271 -11.443 1.00 0.00 H ATOM 168 HG3 GLU A 11 -5.799 -4.582 -11.738 1.00 0.00 H ATOM 169 H GLU A 11 -4.732 -5.267 -7.045 1.00 0.00 H ATOM 170 N ILE A 12 -2.969 -2.826 -9.523 1.00 0.00 N ATOM 171 CA ILE A 12 -2.341 -1.542 -9.219 1.00 0.00 C ATOM 172 C ILE A 12 -3.369 -0.609 -8.552 1.00 0.00 C ATOM 173 O ILE A 12 -4.498 -0.476 -9.021 1.00 0.00 O ATOM 174 CB ILE A 12 -1.720 -0.928 -10.503 1.00 0.00 C ATOM 175 CG1 ILE A 12 -0.801 0.266 -10.154 1.00 0.00 C ATOM 176 CG2 ILE A 12 -2.763 -0.536 -11.569 1.00 0.00 C ATOM 177 CD1 ILE A 12 -0.093 0.903 -11.357 1.00 0.00 C ATOM 178 HA ILE A 12 -1.523 -1.686 -8.513 1.00 0.00 H ATOM 179 HB ILE A 12 -1.118 -1.716 -10.954 1.00 0.00 H ATOM 180 HG12 ILE A 12 -1.408 1.032 -9.672 1.00 0.00 H ATOM 181 HG13 ILE A 12 -0.039 -0.084 -9.457 1.00 0.00 H ATOM 182 HD11 ILE A 12 0.532 0.156 -11.847 1.00 0.00 H ATOM 183 HD12 ILE A 12 -0.838 1.273 -12.061 1.00 0.00 H ATOM 184 HD13 ILE A 12 0.528 1.731 -11.015 1.00 0.00 H ATOM 185 HG21 ILE A 12 -3.323 -1.421 -11.870 1.00 0.00 H ATOM 186 HG22 ILE A 12 -3.446 0.204 -11.152 1.00 0.00 H ATOM 187 HG23 ILE A 12 -2.254 -0.115 -12.436 1.00 0.00 H ATOM 188 H ILE A 12 -2.994 -3.143 -10.513 1.00 0.00 H ATOM 189 N ILE A 13 -2.970 0.087 -7.490 1.00 0.00 N ATOM 190 CA ILE A 13 -3.743 1.176 -6.875 1.00 0.00 C ATOM 191 C ILE A 13 -2.788 2.352 -6.661 1.00 0.00 C ATOM 192 O ILE A 13 -1.599 2.168 -6.412 1.00 0.00 O ATOM 193 CB ILE A 13 -4.473 0.708 -5.586 1.00 0.00 C ATOM 194 CG1 ILE A 13 -5.525 -0.370 -5.957 1.00 0.00 C ATOM 195 CG2 ILE A 13 -5.132 1.895 -4.848 1.00 0.00 C ATOM 196 CD1 ILE A 13 -6.511 -0.760 -4.848 1.00 0.00 C ATOM 197 HA ILE A 13 -4.551 1.501 -7.530 1.00 0.00 H ATOM 198 HB ILE A 13 -3.741 0.276 -4.904 1.00 0.00 H ATOM 199 HG12 ILE A 13 -6.104 0.005 -6.801 1.00 0.00 H ATOM 200 HG13 ILE A 13 -4.988 -1.270 -6.258 1.00 0.00 H ATOM 201 HD11 ILE A 13 -5.959 -1.156 -3.996 1.00 0.00 H ATOM 202 HD12 ILE A 13 -7.075 0.120 -4.539 1.00 0.00 H ATOM 203 HD13 ILE A 13 -7.197 -1.520 -5.224 1.00 0.00 H ATOM 204 HG21 ILE A 13 -4.366 2.618 -4.569 1.00 0.00 H ATOM 205 HG22 ILE A 13 -5.860 2.371 -5.505 1.00 0.00 H ATOM 206 HG23 ILE A 13 -5.633 1.531 -3.951 1.00 0.00 H ATOM 207 H ILE A 13 -2.051 -0.155 -7.067 1.00 0.00 H ATOM 208 N THR A 14 -3.277 3.583 -6.777 1.00 0.00 N ATOM 209 CA THR A 14 -2.448 4.782 -6.619 1.00 0.00 C ATOM 210 C THR A 14 -3.141 5.810 -5.741 1.00 0.00 C ATOM 211 O THR A 14 -4.367 5.921 -5.741 1.00 0.00 O ATOM 212 CB THR A 14 -2.012 5.337 -7.982 1.00 0.00 C ATOM 213 OG1 THR A 14 -1.075 6.368 -7.800 1.00 0.00 O ATOM 214 CG2 THR A 14 -3.152 5.889 -8.836 1.00 0.00 C ATOM 215 HA THR A 14 -1.530 4.508 -6.099 1.00 0.00 H ATOM 216 HB THR A 14 -1.590 4.485 -8.515 1.00 0.00 H ATOM 217 HG1 THR A 14 -0.284 6.013 -7.323 1.00 0.00 H ATOM 218 HG23 THR A 14 -3.896 5.109 -8.994 1.00 0.00 H ATOM 219 HG21 THR A 14 -3.612 6.734 -8.323 1.00 0.00 H ATOM 220 HG22 THR A 14 -2.758 6.217 -9.798 1.00 0.00 H ATOM 221 H THR A 14 -4.289 3.700 -6.988 1.00 0.00 H ATOM 222 N VAL A 15 -2.351 6.509 -4.926 1.00 0.00 N ATOM 223 CA VAL A 15 -2.833 7.238 -3.753 1.00 0.00 C ATOM 224 C VAL A 15 -2.115 8.586 -3.662 1.00 0.00 C ATOM 225 O VAL A 15 -0.970 8.689 -3.217 1.00 0.00 O ATOM 226 CB VAL A 15 -2.714 6.397 -2.455 1.00 0.00 C ATOM 227 CG1 VAL A 15 -4.046 6.473 -1.718 1.00 0.00 C ATOM 228 CG2 VAL A 15 -2.415 4.896 -2.628 1.00 0.00 C ATOM 229 HA VAL A 15 -3.899 7.432 -3.868 1.00 0.00 H ATOM 230 HB VAL A 15 -1.861 6.828 -1.930 1.00 0.00 H ATOM 231 HG11 VAL A 15 -4.266 7.512 -1.474 1.00 0.00 H ATOM 232 HG12 VAL A 15 -4.835 6.073 -2.354 1.00 0.00 H ATOM 233 HG13 VAL A 15 -3.986 5.888 -0.800 1.00 0.00 H ATOM 234 HG21 VAL A 15 -3.212 4.433 -3.210 1.00 0.00 H ATOM 235 HG22 VAL A 15 -1.465 4.774 -3.149 1.00 0.00 H ATOM 236 HG23 VAL A 15 -2.357 4.423 -1.648 1.00 0.00 H ATOM 237 H VAL A 15 -1.333 6.538 -5.136 1.00 0.00 H ATOM 238 N THR A 16 -2.770 9.615 -4.203 1.00 0.00 N ATOM 239 CA THR A 16 -2.251 10.984 -4.323 1.00 0.00 C ATOM 240 C THR A 16 -2.277 11.749 -2.996 1.00 0.00 C ATOM 241 O THR A 16 -3.095 11.508 -2.107 1.00 0.00 O ATOM 242 CB THR A 16 -3.051 11.781 -5.369 1.00 0.00 C ATOM 243 OG1 THR A 16 -4.426 11.730 -5.077 1.00 0.00 O ATOM 244 CG2 THR A 16 -2.878 11.233 -6.785 1.00 0.00 C ATOM 245 HA THR A 16 -1.212 10.884 -4.636 1.00 0.00 H ATOM 246 HB THR A 16 -2.666 12.800 -5.325 1.00 0.00 H ATOM 247 HG1 THR A 16 -4.926 12.246 -5.758 1.00 0.00 H ATOM 248 HG23 THR A 16 -1.822 11.254 -7.055 1.00 0.00 H ATOM 249 HG21 THR A 16 -3.244 10.207 -6.823 1.00 0.00 H ATOM 250 HG22 THR A 16 -3.445 11.849 -7.483 1.00 0.00 H ATOM 251 H THR A 16 -3.726 9.433 -4.570 1.00 0.00 H ATOM 252 N LEU A 17 -1.388 12.734 -2.861 1.00 0.00 N ATOM 253 CA LEU A 17 -1.272 13.610 -1.686 1.00 0.00 C ATOM 254 C LEU A 17 -2.329 14.744 -1.700 1.00 0.00 C ATOM 255 O LEU A 17 -2.003 15.908 -1.479 1.00 0.00 O ATOM 256 CB LEU A 17 0.192 14.112 -1.577 1.00 0.00 C ATOM 257 CG LEU A 17 1.214 13.161 -0.913 1.00 0.00 C ATOM 258 CD1 LEU A 17 1.198 13.309 0.608 1.00 0.00 C ATOM 259 CD2 LEU A 17 1.046 11.667 -1.214 1.00 0.00 C ATOM 260 HA LEU A 17 -1.496 13.046 -0.780 1.00 0.00 H ATOM 261 HB2 LEU A 17 0.544 14.320 -2.587 1.00 0.00 H ATOM 262 HB3 LEU A 17 0.180 15.037 -1.000 1.00 0.00 H ATOM 263 HG LEU A 17 2.157 13.478 -1.359 1.00 0.00 H ATOM 264 HD21 LEU A 17 0.064 11.337 -0.875 1.00 0.00 H ATOM 265 HD22 LEU A 17 1.135 11.502 -2.288 1.00 0.00 H ATOM 266 HD23 LEU A 17 1.820 11.103 -0.693 1.00 0.00 H ATOM 267 HD11 LEU A 17 1.452 14.335 0.875 1.00 0.00 H ATOM 268 HD12 LEU A 17 0.203 13.070 0.985 1.00 0.00 H ATOM 269 HD13 LEU A 17 1.927 12.627 1.046 1.00 0.00 H ATOM 270 H LEU A 17 -0.726 12.895 -3.647 1.00 0.00 H ATOM 271 N LYS A 18 -3.608 14.395 -1.922 1.00 0.00 N ATOM 272 CA LYS A 18 -4.801 15.278 -2.023 1.00 0.00 C ATOM 273 C LYS A 18 -4.835 16.503 -1.094 1.00 0.00 C ATOM 274 O LYS A 18 -5.349 17.546 -1.482 1.00 0.00 O ATOM 275 CB LYS A 18 -6.038 14.395 -1.763 1.00 0.00 C ATOM 276 CG LYS A 18 -7.396 15.124 -1.779 1.00 0.00 C ATOM 277 CD LYS A 18 -7.810 15.596 -3.182 1.00 0.00 C ATOM 278 CE LYS A 18 -9.216 16.211 -3.214 1.00 0.00 C ATOM 279 NZ LYS A 18 -10.245 15.289 -2.677 1.00 0.00 N ATOM 280 HA LYS A 18 -4.774 15.717 -3.021 1.00 0.00 H ATOM 281 HB2 LYS A 18 -6.064 13.621 -2.530 1.00 0.00 H ATOM 282 HB3 LYS A 18 -5.918 13.931 -0.784 1.00 0.00 H ATOM 283 HG2 LYS A 18 -8.160 14.444 -1.402 1.00 0.00 H ATOM 284 HG3 LYS A 18 -7.331 15.994 -1.125 1.00 0.00 H ATOM 285 HD2 LYS A 18 -7.095 16.345 -3.523 1.00 0.00 H ATOM 286 HD3 LYS A 18 -7.789 14.741 -3.858 1.00 0.00 H ATOM 287 HE2 LYS A 18 -9.468 16.456 -4.246 1.00 0.00 H ATOM 288 HE3 LYS A 18 -9.214 17.122 -2.615 1.00 0.00 H ATOM 289 HZ1 LYS A 18 -10.260 14.419 -3.246 1.00 0.00 H ATOM 290 HZ2 LYS A 18 -10.017 15.055 -1.690 1.00 0.00 H ATOM 291 HZ3 LYS A 18 -11.177 15.749 -2.720 1.00 0.00 H ATOM 292 H LYS A 18 -3.786 13.377 -2.038 1.00 0.00 H ATOM 293 N LYS A 19 -4.333 16.349 0.135 1.00 0.00 N ATOM 294 CA LYS A 19 -4.345 17.351 1.214 1.00 0.00 C ATOM 295 C LYS A 19 -2.974 17.498 1.899 1.00 0.00 C ATOM 296 O LYS A 19 -2.903 17.872 3.064 1.00 0.00 O ATOM 297 CB LYS A 19 -5.523 17.006 2.150 1.00 0.00 C ATOM 298 CG LYS A 19 -5.902 18.136 3.127 1.00 0.00 C ATOM 299 CD LYS A 19 -7.400 18.119 3.466 1.00 0.00 C ATOM 300 CE LYS A 19 -8.213 18.731 2.317 1.00 0.00 C ATOM 301 NZ LYS A 19 -9.665 18.512 2.499 1.00 0.00 N ATOM 302 HA LYS A 19 -4.513 18.353 0.819 1.00 0.00 H ATOM 303 HB2 LYS A 19 -6.394 16.778 1.535 1.00 0.00 H ATOM 304 HB3 LYS A 19 -5.251 16.126 2.733 1.00 0.00 H ATOM 305 HG2 LYS A 19 -5.330 18.014 4.047 1.00 0.00 H ATOM 306 HG3 LYS A 19 -5.654 19.095 2.671 1.00 0.00 H ATOM 307 HD2 LYS A 19 -7.721 17.090 3.626 1.00 0.00 H ATOM 308 HD3 LYS A 19 -7.570 18.697 4.375 1.00 0.00 H ATOM 309 HE2 LYS A 19 -7.901 18.272 1.379 1.00 0.00 H ATOM 310 HE3 LYS A 19 -8.019 19.803 2.278 1.00 0.00 H ATOM 311 HZ1 LYS A 19 -9.859 17.491 2.531 1.00 0.00 H ATOM 312 HZ2 LYS A 19 -9.972 18.953 3.390 1.00 0.00 H ATOM 313 HZ3 LYS A 19 -10.181 18.939 1.704 1.00 0.00 H ATOM 314 H LYS A 19 -3.891 15.433 0.350 1.00 0.00 H ATOM 315 N GLN A 20 -1.900 17.133 1.183 1.00 0.00 N ATOM 316 CA GLN A 20 -0.461 17.293 1.482 1.00 0.00 C ATOM 317 C GLN A 20 0.105 16.798 2.839 1.00 0.00 C ATOM 318 O GLN A 20 1.322 16.689 2.958 1.00 0.00 O ATOM 319 CB GLN A 20 -0.032 18.754 1.219 1.00 0.00 C ATOM 320 CG GLN A 20 -0.241 19.246 -0.229 1.00 0.00 C ATOM 321 CD GLN A 20 -1.536 20.032 -0.457 1.00 0.00 C ATOM 322 OE1 GLN A 20 -2.568 19.808 0.144 1.00 0.00 O ATOM 323 NE2 GLN A 20 -1.533 21.007 -1.340 1.00 0.00 N ATOM 324 HA GLN A 20 -0.007 16.582 0.792 1.00 0.00 H ATOM 325 HB2 GLN A 20 -0.607 19.400 1.882 1.00 0.00 H ATOM 326 HB3 GLN A 20 1.028 18.843 1.457 1.00 0.00 H ATOM 327 HG2 GLN A 20 0.598 19.889 -0.494 1.00 0.00 H ATOM 328 HG3 GLN A 20 -0.251 18.376 -0.885 1.00 0.00 H ATOM 329 HE22 GLN A 20 -0.666 21.225 -1.871 1.00 0.00 H ATOM 330 HE21 GLN A 20 -2.398 21.560 -1.507 1.00 0.00 H ATOM 331 H GLN A 20 -2.112 16.666 0.279 1.00 0.00 H ATOM 332 N ASN A 21 -0.718 16.468 3.842 1.00 0.00 N ATOM 333 CA ASN A 21 -0.357 16.091 5.222 1.00 0.00 C ATOM 334 C ASN A 21 0.310 14.698 5.356 1.00 0.00 C ATOM 335 O ASN A 21 -0.110 13.867 6.160 1.00 0.00 O ATOM 336 CB ASN A 21 -1.633 16.213 6.087 1.00 0.00 C ATOM 337 CG ASN A 21 -1.324 16.218 7.579 1.00 0.00 C ATOM 338 OD1 ASN A 21 -0.665 17.111 8.083 1.00 0.00 O ATOM 339 ND2 ASN A 21 -1.792 15.263 8.349 1.00 0.00 N ATOM 340 HA ASN A 21 0.417 16.774 5.572 1.00 0.00 H ATOM 341 HB2 ASN A 21 -2.142 17.142 5.831 1.00 0.00 H ATOM 342 HB3 ASN A 21 -2.287 15.369 5.867 1.00 0.00 H ATOM 343 HD22 ASN A 21 -2.356 14.493 7.937 1.00 0.00 H ATOM 344 HD21 ASN A 21 -1.598 15.277 9.371 1.00 0.00 H ATOM 345 H ASN A 21 -1.734 16.479 3.622 1.00 0.00 H ATOM 346 N GLY A 22 1.288 14.388 4.502 1.00 0.00 N ATOM 347 CA GLY A 22 1.785 13.028 4.285 1.00 0.00 C ATOM 348 C GLY A 22 0.697 12.076 3.766 1.00 0.00 C ATOM 349 O GLY A 22 -0.457 12.452 3.552 1.00 0.00 O ATOM 350 HA3 GLY A 22 2.166 12.641 5.230 1.00 0.00 H ATOM 351 HA2 GLY A 22 2.594 13.064 3.556 1.00 0.00 H ATOM 352 H GLY A 22 1.724 15.160 3.958 1.00 0.00 H ATOM 353 N MET A 23 1.054 10.809 3.535 1.00 0.00 N ATOM 354 CA MET A 23 0.069 9.790 3.154 1.00 0.00 C ATOM 355 C MET A 23 -0.840 9.414 4.328 1.00 0.00 C ATOM 356 O MET A 23 -2.060 9.430 4.170 1.00 0.00 O ATOM 357 CB MET A 23 0.785 8.554 2.593 1.00 0.00 C ATOM 358 CG MET A 23 1.332 8.820 1.184 1.00 0.00 C ATOM 359 SD MET A 23 3.088 8.462 0.938 1.00 0.00 S ATOM 360 CE MET A 23 3.122 6.703 1.358 1.00 0.00 C ATOM 361 HA MET A 23 -0.571 10.209 2.377 1.00 0.00 H ATOM 362 HB2 MET A 23 1.613 8.293 3.252 1.00 0.00 H ATOM 363 HB3 MET A 23 0.080 7.724 2.550 1.00 0.00 H ATOM 364 HG2 MET A 23 1.170 9.874 0.956 1.00 0.00 H ATOM 365 HG3 MET A 23 0.765 8.207 0.484 1.00 0.00 H ATOM 366 HE1 MET A 23 2.785 6.570 2.386 1.00 0.00 H ATOM 367 HE2 MET A 23 2.462 6.157 0.684 1.00 0.00 H ATOM 368 HE3 MET A 23 4.140 6.326 1.256 1.00 0.00 H ATOM 369 H MET A 23 2.054 10.539 3.627 1.00 0.00 H ATOM 370 N GLY A 24 -0.261 9.113 5.496 1.00 0.00 N ATOM 371 CA GLY A 24 -1.003 8.643 6.668 1.00 0.00 C ATOM 372 C GLY A 24 -1.594 7.249 6.459 1.00 0.00 C ATOM 373 O GLY A 24 -2.807 7.076 6.504 1.00 0.00 O ATOM 374 HA3 GLY A 24 -1.815 9.341 6.873 1.00 0.00 H ATOM 375 HA2 GLY A 24 -0.327 8.613 7.523 1.00 0.00 H ATOM 376 H GLY A 24 0.771 9.218 5.576 1.00 0.00 H ATOM 377 N LEU A 25 -0.752 6.247 6.225 1.00 0.00 N ATOM 378 CA LEU A 25 -1.155 4.860 5.967 1.00 0.00 C ATOM 379 C LEU A 25 -0.360 3.901 6.873 1.00 0.00 C ATOM 380 O LEU A 25 0.560 4.303 7.574 1.00 0.00 O ATOM 381 CB LEU A 25 -0.975 4.558 4.465 1.00 0.00 C ATOM 382 CG LEU A 25 -1.868 5.366 3.501 1.00 0.00 C ATOM 383 CD1 LEU A 25 -1.504 5.025 2.057 1.00 0.00 C ATOM 384 CD2 LEU A 25 -3.354 5.072 3.690 1.00 0.00 C ATOM 385 HA LEU A 25 -2.207 4.713 6.210 1.00 0.00 H ATOM 386 HB2 LEU A 25 0.064 4.760 4.206 1.00 0.00 H ATOM 387 HB3 LEU A 25 -1.187 3.500 4.309 1.00 0.00 H ATOM 388 HG LEU A 25 -1.693 6.419 3.721 1.00 0.00 H ATOM 389 HD21 LEU A 25 -3.539 4.013 3.510 1.00 0.00 H ATOM 390 HD22 LEU A 25 -3.646 5.325 4.709 1.00 0.00 H ATOM 391 HD23 LEU A 25 -3.934 5.669 2.985 1.00 0.00 H ATOM 392 HD11 LEU A 25 -0.458 5.275 1.878 1.00 0.00 H ATOM 393 HD12 LEU A 25 -1.658 3.959 1.887 1.00 0.00 H ATOM 394 HD13 LEU A 25 -2.137 5.598 1.379 1.00 0.00 H ATOM 395 H LEU A 25 0.266 6.462 6.225 1.00 0.00 H ATOM 396 N SER A 26 -0.699 2.617 6.894 1.00 0.00 N ATOM 397 CA SER A 26 -0.073 1.627 7.774 1.00 0.00 C ATOM 398 C SER A 26 0.105 0.318 7.014 1.00 0.00 C ATOM 399 O SER A 26 -0.856 -0.223 6.466 1.00 0.00 O ATOM 400 CB SER A 26 -0.947 1.435 9.015 1.00 0.00 C ATOM 401 OG SER A 26 -0.305 0.572 9.929 1.00 0.00 O ATOM 402 HA SER A 26 0.910 1.971 8.095 1.00 0.00 H ATOM 403 HB2 SER A 26 -1.903 1.002 8.720 1.00 0.00 H ATOM 404 HB3 SER A 26 -1.118 2.401 9.490 1.00 0.00 H ATOM 405 HG SER A 26 -0.878 0.454 10.728 1.00 0.00 H ATOM 406 H SER A 26 -1.450 2.297 6.250 1.00 0.00 H ATOM 407 N ILE A 27 1.340 -0.185 6.953 1.00 0.00 N ATOM 408 CA ILE A 27 1.711 -1.426 6.259 1.00 0.00 C ATOM 409 C ILE A 27 2.619 -2.268 7.140 1.00 0.00 C ATOM 410 O ILE A 27 3.371 -1.749 7.962 1.00 0.00 O ATOM 411 CB ILE A 27 2.377 -1.208 4.876 1.00 0.00 C ATOM 412 CG1 ILE A 27 3.556 -0.207 4.904 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.319 -0.801 3.849 1.00 0.00 C ATOM 414 CD1 ILE A 27 4.915 -0.911 4.943 1.00 0.00 C ATOM 415 HA ILE A 27 0.774 -1.948 6.065 1.00 0.00 H ATOM 416 HB ILE A 27 2.819 -2.160 4.582 1.00 0.00 H ATOM 417 HG12 ILE A 27 3.509 0.416 4.011 1.00 0.00 H ATOM 418 HG13 ILE A 27 3.461 0.422 5.789 1.00 0.00 H ATOM 419 HD11 ILE A 27 4.976 -1.531 5.838 1.00 0.00 H ATOM 420 HD12 ILE A 27 5.024 -1.537 4.057 1.00 0.00 H ATOM 421 HD13 ILE A 27 5.709 -0.165 4.962 1.00 0.00 H ATOM 422 HG21 ILE A 27 0.570 -1.589 3.769 1.00 0.00 H ATOM 423 HG22 ILE A 27 0.841 0.125 4.169 1.00 0.00 H ATOM 424 HG23 ILE A 27 1.794 -0.650 2.880 1.00 0.00 H ATOM 425 H ILE A 27 2.097 0.342 7.433 1.00 0.00 H ATOM 426 N VAL A 28 2.555 -3.576 6.909 1.00 0.00 N ATOM 427 CA VAL A 28 3.413 -4.589 7.529 1.00 0.00 C ATOM 428 C VAL A 28 3.847 -5.564 6.443 1.00 0.00 C ATOM 429 O VAL A 28 3.005 -6.103 5.722 1.00 0.00 O ATOM 430 CB VAL A 28 2.684 -5.325 8.677 1.00 0.00 C ATOM 431 CG1 VAL A 28 3.544 -6.432 9.307 1.00 0.00 C ATOM 432 CG2 VAL A 28 2.286 -4.362 9.807 1.00 0.00 C ATOM 433 HA VAL A 28 4.285 -4.109 7.974 1.00 0.00 H ATOM 434 HB VAL A 28 1.799 -5.763 8.215 1.00 0.00 H ATOM 435 HG11 VAL A 28 3.801 -7.168 8.546 1.00 0.00 H ATOM 436 HG12 VAL A 28 4.456 -5.995 9.714 1.00 0.00 H ATOM 437 HG13 VAL A 28 2.983 -6.915 10.107 1.00 0.00 H ATOM 438 HG21 VAL A 28 3.181 -3.892 10.214 1.00 0.00 H ATOM 439 HG22 VAL A 28 1.619 -3.596 9.412 1.00 0.00 H ATOM 440 HG23 VAL A 28 1.777 -4.918 10.594 1.00 0.00 H ATOM 441 H VAL A 28 1.837 -3.907 6.233 1.00 0.00 H ATOM 442 N ALA A 29 5.155 -5.791 6.329 1.00 0.00 N ATOM 443 CA ALA A 29 5.694 -6.906 5.559 1.00 0.00 C ATOM 444 C ALA A 29 5.971 -8.115 6.460 1.00 0.00 C ATOM 445 O ALA A 29 6.106 -8.007 7.679 1.00 0.00 O ATOM 446 CB ALA A 29 6.972 -6.492 4.823 1.00 0.00 C ATOM 447 HA ALA A 29 4.944 -7.192 4.821 1.00 0.00 H ATOM 448 HB1 ALA A 29 6.748 -5.670 4.143 1.00 0.00 H ATOM 449 HB2 ALA A 29 7.720 -6.171 5.548 1.00 0.00 H ATOM 450 HB3 ALA A 29 7.354 -7.341 4.256 1.00 0.00 H ATOM 451 H ALA A 29 5.817 -5.148 6.808 1.00 0.00 H ATOM 452 N ALA A 30 6.143 -9.265 5.824 1.00 0.00 N ATOM 453 CA ALA A 30 6.726 -10.453 6.418 1.00 0.00 C ATOM 454 C ALA A 30 7.968 -10.870 5.617 1.00 0.00 C ATOM 455 O ALA A 30 8.232 -10.365 4.520 1.00 0.00 O ATOM 456 CB ALA A 30 5.649 -11.543 6.496 1.00 0.00 C ATOM 457 HA ALA A 30 7.067 -10.265 7.436 1.00 0.00 H ATOM 458 HB1 ALA A 30 4.820 -11.190 7.110 1.00 0.00 H ATOM 459 HB2 ALA A 30 5.289 -11.769 5.492 1.00 0.00 H ATOM 460 HB3 ALA A 30 6.075 -12.442 6.941 1.00 0.00 H ATOM 461 H ALA A 30 5.839 -9.319 4.831 1.00 0.00 H ATOM 462 N LYS A 31 8.719 -11.826 6.154 1.00 0.00 N ATOM 463 CA LYS A 31 9.890 -12.437 5.522 1.00 0.00 C ATOM 464 C LYS A 31 9.769 -13.959 5.547 1.00 0.00 C ATOM 465 O LYS A 31 8.892 -14.517 6.206 1.00 0.00 O ATOM 466 CB LYS A 31 11.165 -11.921 6.224 1.00 0.00 C ATOM 467 CG LYS A 31 11.513 -10.512 5.709 1.00 0.00 C ATOM 468 CD LYS A 31 12.760 -9.886 6.333 1.00 0.00 C ATOM 469 CE LYS A 31 12.533 -9.516 7.800 1.00 0.00 C ATOM 470 NZ LYS A 31 13.599 -8.610 8.271 1.00 0.00 N ATOM 471 HA LYS A 31 9.952 -12.152 4.472 1.00 0.00 H ATOM 472 HB2 LYS A 31 10.995 -11.881 7.300 1.00 0.00 H ATOM 473 HB3 LYS A 31 11.993 -12.598 6.013 1.00 0.00 H ATOM 474 HG2 LYS A 31 11.668 -10.574 4.632 1.00 0.00 H ATOM 475 HG3 LYS A 31 10.666 -9.857 5.916 1.00 0.00 H ATOM 476 HD2 LYS A 31 13.582 -10.599 6.271 1.00 0.00 H ATOM 477 HD3 LYS A 31 13.019 -8.985 5.777 1.00 0.00 H ATOM 478 HE2 LYS A 31 12.538 -10.423 8.405 1.00 0.00 H ATOM 479 HE3 LYS A 31 11.568 -9.019 7.901 1.00 0.00 H ATOM 480 HZ1 LYS A 31 14.520 -9.083 8.178 1.00 0.00 H ATOM 481 HZ2 LYS A 31 13.594 -7.743 7.697 1.00 0.00 H ATOM 482 HZ3 LYS A 31 13.431 -8.368 9.268 1.00 0.00 H ATOM 483 H LYS A 31 8.453 -12.168 7.100 1.00 0.00 H ATOM 484 N GLY A 32 10.657 -14.635 4.826 1.00 0.00 N ATOM 485 CA GLY A 32 10.804 -16.092 4.855 1.00 0.00 C ATOM 486 C GLY A 32 11.684 -16.560 6.019 1.00 0.00 C ATOM 487 O GLY A 32 12.652 -17.283 5.798 1.00 0.00 O ATOM 488 HA3 GLY A 32 11.256 -16.419 3.919 1.00 0.00 H ATOM 489 HA2 GLY A 32 9.817 -16.543 4.957 1.00 0.00 H ATOM 490 H GLY A 32 11.288 -14.095 4.201 1.00 0.00 H ATOM 491 N ALA A 33 11.411 -16.091 7.240 1.00 0.00 N ATOM 492 CA ALA A 33 12.266 -16.299 8.408 1.00 0.00 C ATOM 493 C ALA A 33 11.440 -16.363 9.702 1.00 0.00 C ATOM 494 O ALA A 33 10.590 -15.509 9.947 1.00 0.00 O ATOM 495 CB ALA A 33 13.289 -15.155 8.467 1.00 0.00 C ATOM 496 HA ALA A 33 12.782 -17.255 8.315 1.00 0.00 H ATOM 497 HB1 ALA A 33 13.890 -15.159 7.558 1.00 0.00 H ATOM 498 HB2 ALA A 33 12.764 -14.204 8.552 1.00 0.00 H ATOM 499 HB3 ALA A 33 13.937 -15.293 9.333 1.00 0.00 H ATOM 500 H ALA A 33 10.536 -15.544 7.368 1.00 0.00 H ATOM 501 N GLY A 34 11.691 -17.380 10.535 1.00 0.00 N ATOM 502 CA GLY A 34 10.983 -17.625 11.807 1.00 0.00 C ATOM 503 C GLY A 34 9.549 -18.150 11.647 1.00 0.00 C ATOM 504 O GLY A 34 9.125 -19.018 12.405 1.00 0.00 O ATOM 505 HA3 GLY A 34 10.943 -16.687 12.361 1.00 0.00 H ATOM 506 HA2 GLY A 34 11.552 -18.358 12.378 1.00 0.00 H ATOM 507 H GLY A 34 12.441 -18.048 10.266 1.00 0.00 H ATOM 508 N GLN A 35 8.835 -17.683 10.624 1.00 0.00 N ATOM 509 CA GLN A 35 7.698 -18.354 9.998 1.00 0.00 C ATOM 510 C GLN A 35 7.888 -18.354 8.469 1.00 0.00 C ATOM 511 O GLN A 35 8.614 -17.545 7.897 1.00 0.00 O ATOM 512 CB GLN A 35 6.358 -17.715 10.403 1.00 0.00 C ATOM 513 CG GLN A 35 5.935 -18.016 11.850 1.00 0.00 C ATOM 514 CD GLN A 35 6.317 -16.915 12.836 1.00 0.00 C ATOM 515 OE1 GLN A 35 5.709 -15.856 12.878 1.00 0.00 O ATOM 516 NE2 GLN A 35 7.309 -17.131 13.670 1.00 0.00 N ATOM 517 HA GLN A 35 7.662 -19.384 10.352 1.00 0.00 H ATOM 518 HB2 GLN A 35 6.444 -16.634 10.288 1.00 0.00 H ATOM 519 HB3 GLN A 35 5.583 -18.089 9.734 1.00 0.00 H ATOM 520 HG2 GLN A 35 4.853 -18.142 11.875 1.00 0.00 H ATOM 521 HG3 GLN A 35 6.414 -18.943 12.164 1.00 0.00 H ATOM 522 HE22 GLN A 35 7.829 -18.031 13.638 1.00 0.00 H ATOM 523 HE21 GLN A 35 7.574 -16.402 14.363 1.00 0.00 H ATOM 524 H GLN A 35 9.111 -16.758 10.236 1.00 0.00 H ATOM 525 N ASP A 36 7.242 -19.306 7.806 1.00 0.00 N ATOM 526 CA ASP A 36 7.403 -19.728 6.405 1.00 0.00 C ATOM 527 C ASP A 36 6.787 -18.798 5.331 1.00 0.00 C ATOM 528 O ASP A 36 6.629 -19.192 4.171 1.00 0.00 O ATOM 529 CB ASP A 36 6.751 -21.124 6.307 1.00 0.00 C ATOM 530 CG ASP A 36 5.247 -21.114 6.633 1.00 0.00 C ATOM 531 OD1 ASP A 36 4.875 -20.764 7.771 1.00 0.00 O ATOM 532 OD2 ASP A 36 4.430 -21.520 5.767 1.00 0.00 O ATOM 533 HA ASP A 36 8.470 -19.709 6.182 1.00 0.00 H ATOM 534 HB2 ASP A 36 6.883 -21.498 5.292 1.00 0.00 H ATOM 535 HB3 ASP A 36 7.253 -21.791 7.007 1.00 0.00 H ATOM 536 H ASP A 36 6.524 -19.824 8.351 1.00 0.00 H ATOM 537 N LYS A 37 6.359 -17.585 5.705 1.00 0.00 N ATOM 538 CA LYS A 37 5.149 -16.996 5.100 1.00 0.00 C ATOM 539 C LYS A 37 5.394 -15.958 4.001 1.00 0.00 C ATOM 540 O LYS A 37 4.756 -16.071 2.956 1.00 0.00 O ATOM 541 CB LYS A 37 4.241 -16.442 6.211 1.00 0.00 C ATOM 542 CG LYS A 37 3.803 -17.562 7.170 1.00 0.00 C ATOM 543 CD LYS A 37 2.901 -17.044 8.292 1.00 0.00 C ATOM 544 CE LYS A 37 2.600 -18.188 9.265 1.00 0.00 C ATOM 545 NZ LYS A 37 1.683 -17.741 10.333 1.00 0.00 N ATOM 546 HA LYS A 37 4.652 -17.810 4.572 1.00 0.00 H ATOM 547 HB2 LYS A 37 4.786 -15.683 6.773 1.00 0.00 H ATOM 548 HB3 LYS A 37 3.357 -15.992 5.759 1.00 0.00 H ATOM 549 HG2 LYS A 37 3.259 -18.317 6.603 1.00 0.00 H ATOM 550 HG3 LYS A 37 4.691 -18.012 7.613 1.00 0.00 H ATOM 551 HD2 LYS A 37 3.406 -16.237 8.823 1.00 0.00 H ATOM 552 HD3 LYS A 37 1.969 -16.671 7.868 1.00 0.00 H ATOM 553 HE2 LYS A 37 3.532 -18.530 9.714 1.00 0.00 H ATOM 554 HE3 LYS A 37 2.138 -19.010 8.718 1.00 0.00 H ATOM 555 HZ1 LYS A 37 2.121 -16.959 10.860 1.00 0.00 H ATOM 556 HZ2 LYS A 37 0.790 -17.417 9.909 1.00 0.00 H ATOM 557 HZ3 LYS A 37 1.494 -18.533 10.980 1.00 0.00 H ATOM 558 H LYS A 37 6.884 -17.054 6.428 1.00 0.00 H ATOM 559 N LEU A 38 6.321 -15.007 4.195 1.00 0.00 N ATOM 560 CA LEU A 38 6.546 -13.842 3.305 1.00 0.00 C ATOM 561 C LEU A 38 5.261 -12.999 3.043 1.00 0.00 C ATOM 562 O LEU A 38 4.178 -13.328 3.524 1.00 0.00 O ATOM 563 CB LEU A 38 7.268 -14.363 2.032 1.00 0.00 C ATOM 564 CG LEU A 38 7.834 -13.341 1.023 1.00 0.00 C ATOM 565 CD1 LEU A 38 8.831 -12.375 1.662 1.00 0.00 C ATOM 566 CD2 LEU A 38 8.556 -14.079 -0.105 1.00 0.00 C ATOM 567 HA LEU A 38 7.190 -13.111 3.793 1.00 0.00 H ATOM 568 HB2 LEU A 38 8.103 -14.978 2.367 1.00 0.00 H ATOM 569 HB3 LEU A 38 6.554 -14.985 1.491 1.00 0.00 H ATOM 570 HG LEU A 38 6.986 -12.767 0.649 1.00 0.00 H ATOM 571 HD21 LEU A 38 9.373 -14.667 0.312 1.00 0.00 H ATOM 572 HD22 LEU A 38 7.854 -14.740 -0.613 1.00 0.00 H ATOM 573 HD23 LEU A 38 8.954 -13.354 -0.815 1.00 0.00 H ATOM 574 HD11 LEU A 38 8.337 -11.820 2.460 1.00 0.00 H ATOM 575 HD12 LEU A 38 9.668 -12.939 2.074 1.00 0.00 H ATOM 576 HD13 LEU A 38 9.196 -11.679 0.906 1.00 0.00 H ATOM 577 H LEU A 38 6.929 -15.094 5.035 1.00 0.00 H ATOM 578 N GLY A 39 5.375 -11.871 2.337 1.00 0.00 N ATOM 579 CA GLY A 39 4.240 -11.040 1.894 1.00 0.00 C ATOM 580 C GLY A 39 4.264 -9.604 2.425 1.00 0.00 C ATOM 581 O GLY A 39 5.186 -9.209 3.142 1.00 0.00 O ATOM 582 HA3 GLY A 39 3.318 -11.513 2.231 1.00 0.00 H ATOM 583 HA2 GLY A 39 4.250 -11.001 0.805 1.00 0.00 H ATOM 584 H GLY A 39 6.333 -11.556 2.081 1.00 0.00 H ATOM 585 N ILE A 40 3.238 -8.818 2.085 1.00 0.00 N ATOM 586 CA ILE A 40 3.027 -7.445 2.568 1.00 0.00 C ATOM 587 C ILE A 40 1.517 -7.180 2.671 1.00 0.00 C ATOM 588 O ILE A 40 0.739 -7.735 1.899 1.00 0.00 O ATOM 589 CB ILE A 40 3.699 -6.381 1.652 1.00 0.00 C ATOM 590 CG1 ILE A 40 4.960 -6.834 0.873 1.00 0.00 C ATOM 591 CG2 ILE A 40 3.988 -5.107 2.467 1.00 0.00 C ATOM 592 CD1 ILE A 40 5.345 -5.873 -0.258 1.00 0.00 C ATOM 593 HA ILE A 40 3.497 -7.356 3.548 1.00 0.00 H ATOM 594 HB ILE A 40 2.970 -6.191 0.864 1.00 0.00 H ATOM 595 HG12 ILE A 40 5.794 -6.901 1.571 1.00 0.00 H ATOM 596 HG13 ILE A 40 4.768 -7.817 0.443 1.00 0.00 H ATOM 597 HD11 ILE A 40 4.523 -5.804 -0.970 1.00 0.00 H ATOM 598 HD12 ILE A 40 5.550 -4.887 0.159 1.00 0.00 H ATOM 599 HD13 ILE A 40 6.235 -6.247 -0.764 1.00 0.00 H ATOM 600 HG21 ILE A 40 3.053 -4.709 2.860 1.00 0.00 H ATOM 601 HG22 ILE A 40 4.657 -5.349 3.293 1.00 0.00 H ATOM 602 HG23 ILE A 40 4.458 -4.364 1.823 1.00 0.00 H ATOM 603 H ILE A 40 2.533 -9.208 1.427 1.00 0.00 H ATOM 604 N TYR A 41 1.087 -6.335 3.609 1.00 0.00 N ATOM 605 CA TYR A 41 -0.324 -6.030 3.871 1.00 0.00 C ATOM 606 C TYR A 41 -0.506 -4.572 4.307 1.00 0.00 C ATOM 607 O TYR A 41 0.243 -4.083 5.153 1.00 0.00 O ATOM 608 CB TYR A 41 -0.857 -6.961 4.979 1.00 0.00 C ATOM 609 CG TYR A 41 -0.752 -8.439 4.649 1.00 0.00 C ATOM 610 CD1 TYR A 41 -1.787 -9.072 3.934 1.00 0.00 C ATOM 611 CD2 TYR A 41 0.409 -9.157 4.996 1.00 0.00 C ATOM 612 CE1 TYR A 41 -1.634 -10.407 3.514 1.00 0.00 C ATOM 613 CE2 TYR A 41 0.570 -10.489 4.567 1.00 0.00 C ATOM 614 CZ TYR A 41 -0.437 -11.102 3.794 1.00 0.00 C ATOM 615 OH TYR A 41 -0.235 -12.345 3.286 1.00 0.00 O ATOM 616 HA TYR A 41 -0.881 -6.187 2.947 1.00 0.00 H ATOM 617 HB3 TYR A 41 -1.906 -6.722 5.152 1.00 0.00 H ATOM 618 HB2 TYR A 41 -0.288 -6.772 5.889 1.00 0.00 H ATOM 619 HD2 TYR A 41 1.184 -8.681 5.597 1.00 0.00 H ATOM 620 HE2 TYR A 41 1.470 -11.044 4.832 1.00 0.00 H ATOM 621 HE1 TYR A 41 -2.439 -10.904 2.973 1.00 0.00 H ATOM 622 HD1 TYR A 41 -2.705 -8.530 3.706 1.00 0.00 H ATOM 623 HH TYR A 41 -1.034 -12.624 2.773 1.00 0.00 H ATOM 624 H TYR A 41 1.802 -5.859 4.196 1.00 0.00 H ATOM 625 N VAL A 42 -1.531 -3.894 3.782 1.00 0.00 N ATOM 626 CA VAL A 42 -2.074 -2.644 4.340 1.00 0.00 C ATOM 627 C VAL A 42 -2.784 -2.971 5.650 1.00 0.00 C ATOM 628 O VAL A 42 -3.910 -3.466 5.653 1.00 0.00 O ATOM 629 CB VAL A 42 -3.027 -1.934 3.356 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.561 -0.615 3.935 1.00 0.00 C ATOM 631 CG2 VAL A 42 -2.321 -1.603 2.034 1.00 0.00 C ATOM 632 HA VAL A 42 -1.253 -1.951 4.522 1.00 0.00 H ATOM 633 HB VAL A 42 -3.851 -2.627 3.183 1.00 0.00 H ATOM 634 HG11 VAL A 42 -4.107 -0.819 4.856 1.00 0.00 H ATOM 635 HG12 VAL A 42 -2.725 0.052 4.146 1.00 0.00 H ATOM 636 HG13 VAL A 42 -4.228 -0.146 3.212 1.00 0.00 H ATOM 637 HG21 VAL A 42 -1.473 -0.946 2.231 1.00 0.00 H ATOM 638 HG22 VAL A 42 -1.968 -2.525 1.571 1.00 0.00 H ATOM 639 HG23 VAL A 42 -3.021 -1.104 1.365 1.00 0.00 H ATOM 640 H VAL A 42 -1.975 -4.275 2.922 1.00 0.00 H ATOM 641 N LYS A 43 -2.118 -2.736 6.782 1.00 0.00 N ATOM 642 CA LYS A 43 -2.711 -2.924 8.112 1.00 0.00 C ATOM 643 C LYS A 43 -3.879 -1.958 8.345 1.00 0.00 C ATOM 644 O LYS A 43 -4.899 -2.378 8.880 1.00 0.00 O ATOM 645 CB LYS A 43 -1.609 -2.858 9.184 1.00 0.00 C ATOM 646 CG LYS A 43 -2.151 -3.052 10.613 1.00 0.00 C ATOM 647 CD LYS A 43 -1.058 -3.518 11.587 1.00 0.00 C ATOM 648 CE LYS A 43 -1.589 -3.509 13.027 1.00 0.00 C ATOM 649 NZ LYS A 43 -0.738 -4.307 13.942 1.00 0.00 N ATOM 650 HA LYS A 43 -3.155 -3.917 8.183 1.00 0.00 H ATOM 651 HB2 LYS A 43 -0.877 -3.640 8.980 1.00 0.00 H ATOM 652 HB3 LYS A 43 -1.124 -1.884 9.125 1.00 0.00 H ATOM 653 HG2 LYS A 43 -2.557 -2.104 10.967 1.00 0.00 H ATOM 654 HG3 LYS A 43 -2.944 -3.800 10.590 1.00 0.00 H ATOM 655 HD2 LYS A 43 -0.749 -4.529 11.324 1.00 0.00 H ATOM 656 HD3 LYS A 43 -0.202 -2.847 11.515 1.00 0.00 H ATOM 657 HE2 LYS A 43 -2.597 -3.924 13.033 1.00 0.00 H ATOM 658 HE3 LYS A 43 -1.620 -2.480 13.384 1.00 0.00 H ATOM 659 HZ1 LYS A 43 -0.708 -5.293 13.614 1.00 0.00 H ATOM 660 HZ2 LYS A 43 0.225 -3.914 13.949 1.00 0.00 H ATOM 661 HZ3 LYS A 43 -1.136 -4.272 14.902 1.00 0.00 H ATOM 662 H LYS A 43 -1.134 -2.405 6.719 1.00 0.00 H ATOM 663 N SER A 44 -3.768 -0.707 7.882 1.00 0.00 N ATOM 664 CA SER A 44 -4.846 0.293 7.940 1.00 0.00 C ATOM 665 C SER A 44 -4.507 1.579 7.168 1.00 0.00 C ATOM 666 O SER A 44 -3.375 1.800 6.741 1.00 0.00 O ATOM 667 CB SER A 44 -5.160 0.648 9.410 1.00 0.00 C ATOM 668 OG SER A 44 -4.094 1.351 10.018 1.00 0.00 O ATOM 669 HA SER A 44 -5.717 -0.156 7.463 1.00 0.00 H ATOM 670 HB2 SER A 44 -5.339 -0.273 9.966 1.00 0.00 H ATOM 671 HB3 SER A 44 -6.056 1.269 9.440 1.00 0.00 H ATOM 672 HG SER A 44 -3.930 2.192 9.522 1.00 0.00 H ATOM 673 H SER A 44 -2.863 -0.424 7.454 1.00 0.00 H ATOM 674 N VAL A 45 -5.482 2.482 7.058 1.00 0.00 N ATOM 675 CA VAL A 45 -5.231 3.935 6.993 1.00 0.00 C ATOM 676 C VAL A 45 -4.850 4.478 8.388 1.00 0.00 C ATOM 677 O VAL A 45 -5.075 3.786 9.382 1.00 0.00 O ATOM 678 CB VAL A 45 -6.483 4.661 6.463 1.00 0.00 C ATOM 679 CG1 VAL A 45 -6.805 4.264 5.018 1.00 0.00 C ATOM 680 CG2 VAL A 45 -7.741 4.444 7.317 1.00 0.00 C ATOM 681 HA VAL A 45 -4.400 4.118 6.312 1.00 0.00 H ATOM 682 HB VAL A 45 -6.220 5.718 6.515 1.00 0.00 H ATOM 683 HG11 VAL A 45 -5.963 4.521 4.376 1.00 0.00 H ATOM 684 HG12 VAL A 45 -6.986 3.190 4.969 1.00 0.00 H ATOM 685 HG13 VAL A 45 -7.694 4.799 4.685 1.00 0.00 H ATOM 686 HG21 VAL A 45 -7.976 3.380 7.351 1.00 0.00 H ATOM 687 HG22 VAL A 45 -7.560 4.810 8.328 1.00 0.00 H ATOM 688 HG23 VAL A 45 -8.576 4.988 6.876 1.00 0.00 H ATOM 689 H VAL A 45 -6.466 2.147 7.016 1.00 0.00 H ATOM 690 N VAL A 46 -4.329 5.705 8.513 1.00 0.00 N ATOM 691 CA VAL A 46 -3.944 6.296 9.825 1.00 0.00 C ATOM 692 C VAL A 46 -4.928 7.382 10.300 1.00 0.00 C ATOM 693 O VAL A 46 -4.652 8.083 11.267 1.00 0.00 O ATOM 694 CB VAL A 46 -2.448 6.709 9.837 1.00 0.00 C ATOM 695 CG1 VAL A 46 -1.894 7.366 11.115 1.00 0.00 C ATOM 696 CG2 VAL A 46 -1.587 5.453 9.649 1.00 0.00 C ATOM 697 HA VAL A 46 -4.034 5.521 10.587 1.00 0.00 H ATOM 698 HB VAL A 46 -2.399 7.455 9.044 1.00 0.00 H ATOM 699 HG11 VAL A 46 -2.445 8.284 11.318 1.00 0.00 H ATOM 700 HG12 VAL A 46 -2.007 6.679 11.954 1.00 0.00 H ATOM 701 HG13 VAL A 46 -0.838 7.598 10.974 1.00 0.00 H ATOM 702 HG21 VAL A 46 -1.784 4.754 10.462 1.00 0.00 H ATOM 703 HG22 VAL A 46 -1.834 4.984 8.696 1.00 0.00 H ATOM 704 HG23 VAL A 46 -0.533 5.732 9.656 1.00 0.00 H ATOM 705 H VAL A 46 -4.186 6.272 7.653 1.00 0.00 H ATOM 706 N LYS A 47 -6.118 7.496 9.676 1.00 0.00 N ATOM 707 CA LYS A 47 -7.240 8.321 10.184 1.00 0.00 C ATOM 708 C LYS A 47 -6.832 9.805 10.347 1.00 0.00 C ATOM 709 O LYS A 47 -7.195 10.463 11.324 1.00 0.00 O ATOM 710 CB LYS A 47 -7.745 7.609 11.467 1.00 0.00 C ATOM 711 CG LYS A 47 -9.028 8.087 12.167 1.00 0.00 C ATOM 712 CD LYS A 47 -9.267 7.149 13.366 1.00 0.00 C ATOM 713 CE LYS A 47 -10.305 7.665 14.365 1.00 0.00 C ATOM 714 NZ LYS A 47 -10.400 6.734 15.513 1.00 0.00 N ATOM 715 HA LYS A 47 -8.070 8.388 9.480 1.00 0.00 H ATOM 716 HB2 LYS A 47 -7.903 6.563 11.203 1.00 0.00 H ATOM 717 HB3 LYS A 47 -6.942 7.680 12.201 1.00 0.00 H ATOM 718 HG2 LYS A 47 -8.905 9.113 12.513 1.00 0.00 H ATOM 719 HG3 LYS A 47 -9.871 8.036 11.478 1.00 0.00 H ATOM 720 HD2 LYS A 47 -9.607 6.186 12.985 1.00 0.00 H ATOM 721 HD3 LYS A 47 -8.321 7.017 13.892 1.00 0.00 H ATOM 722 HE2 LYS A 47 -11.276 7.736 13.875 1.00 0.00 H ATOM 723 HE3 LYS A 47 -10.006 8.651 14.721 1.00 0.00 H ATOM 724 HZ1 LYS A 47 -10.686 5.794 15.173 1.00 0.00 H ATOM 725 HZ2 LYS A 47 -9.474 6.667 15.981 1.00 0.00 H ATOM 726 HZ3 LYS A 47 -11.106 7.089 16.188 1.00 0.00 H ATOM 727 H LYS A 47 -6.257 6.975 8.787 1.00 0.00 H ATOM 728 N GLY A 48 -5.983 10.313 9.451 1.00 0.00 N ATOM 729 CA GLY A 48 -5.376 11.645 9.541 1.00 0.00 C ATOM 730 C GLY A 48 -4.324 11.999 8.473 1.00 0.00 C ATOM 731 O GLY A 48 -3.364 12.698 8.793 1.00 0.00 O ATOM 732 HA3 GLY A 48 -4.896 11.725 10.517 1.00 0.00 H ATOM 733 HA2 GLY A 48 -6.178 12.379 9.471 1.00 0.00 H ATOM 734 H GLY A 48 -5.735 9.723 8.632 1.00 0.00 H ATOM 735 N GLY A 49 -4.472 11.559 7.218 1.00 0.00 N ATOM 736 CA GLY A 49 -3.500 11.851 6.146 1.00 0.00 C ATOM 737 C GLY A 49 -4.125 11.976 4.759 1.00 0.00 C ATOM 738 O GLY A 49 -5.291 11.647 4.559 1.00 0.00 O ATOM 739 HA3 GLY A 49 -2.766 11.046 6.120 1.00 0.00 H ATOM 740 HA2 GLY A 49 -3.000 12.790 6.383 1.00 0.00 H ATOM 741 H GLY A 49 -5.309 10.986 6.988 1.00 0.00 H ATOM 742 N ALA A 50 -3.370 12.479 3.779 1.00 0.00 N ATOM 743 CA ALA A 50 -3.912 12.775 2.450 1.00 0.00 C ATOM 744 C ALA A 50 -4.317 11.516 1.656 1.00 0.00 C ATOM 745 O ALA A 50 -5.346 11.513 0.984 1.00 0.00 O ATOM 746 CB ALA A 50 -2.875 13.592 1.681 1.00 0.00 C ATOM 747 HA ALA A 50 -4.834 13.342 2.580 1.00 0.00 H ATOM 748 HB1 ALA A 50 -2.673 14.519 2.218 1.00 0.00 H ATOM 749 HB2 ALA A 50 -1.954 13.015 1.590 1.00 0.00 H ATOM 750 HB3 ALA A 50 -3.260 13.823 0.688 1.00 0.00 H ATOM 751 H ALA A 50 -2.364 12.667 3.965 1.00 0.00 H ATOM 752 N ALA A 51 -3.527 10.444 1.765 1.00 0.00 N ATOM 753 CA ALA A 51 -3.813 9.159 1.127 1.00 0.00 C ATOM 754 C ALA A 51 -4.811 8.315 1.949 1.00 0.00 C ATOM 755 O ALA A 51 -5.563 7.523 1.386 1.00 0.00 O ATOM 756 CB ALA A 51 -2.484 8.429 0.914 1.00 0.00 C ATOM 757 HA ALA A 51 -4.297 9.327 0.165 1.00 0.00 H ATOM 758 HB1 ALA A 51 -1.838 9.031 0.275 1.00 0.00 H ATOM 759 HB2 ALA A 51 -1.999 8.272 1.877 1.00 0.00 H ATOM 760 HB3 ALA A 51 -2.672 7.466 0.439 1.00 0.00 H ATOM 761 H ALA A 51 -2.661 10.528 2.335 1.00 0.00 H ATOM 762 N ASP A 52 -4.872 8.518 3.265 1.00 0.00 N ATOM 763 CA ASP A 52 -5.970 8.058 4.121 1.00 0.00 C ATOM 764 C ASP A 52 -7.321 8.661 3.689 1.00 0.00 C ATOM 765 O ASP A 52 -8.217 7.917 3.285 1.00 0.00 O ATOM 766 CB ASP A 52 -5.593 8.354 5.583 1.00 0.00 C ATOM 767 CG ASP A 52 -6.755 8.711 6.504 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.508 7.805 6.924 1.00 0.00 O ATOM 769 OD2 ASP A 52 -6.828 9.897 6.881 1.00 0.00 O ATOM 770 HA ASP A 52 -6.111 6.982 4.018 1.00 0.00 H ATOM 771 HB2 ASP A 52 -5.103 7.469 5.989 1.00 0.00 H ATOM 772 HB3 ASP A 52 -4.893 9.190 5.587 1.00 0.00 H ATOM 773 H ASP A 52 -4.090 9.036 3.714 1.00 0.00 H ATOM 774 N VAL A 53 -7.457 9.993 3.711 1.00 0.00 N ATOM 775 CA VAL A 53 -8.753 10.673 3.544 1.00 0.00 C ATOM 776 C VAL A 53 -9.345 10.550 2.136 1.00 0.00 C ATOM 777 O VAL A 53 -10.571 10.503 2.007 1.00 0.00 O ATOM 778 CB VAL A 53 -8.660 12.144 4.010 1.00 0.00 C ATOM 779 CG1 VAL A 53 -7.938 13.069 3.019 1.00 0.00 C ATOM 780 CG2 VAL A 53 -10.042 12.738 4.306 1.00 0.00 C ATOM 781 HA VAL A 53 -9.460 10.150 4.188 1.00 0.00 H ATOM 782 HB VAL A 53 -8.065 12.098 4.922 1.00 0.00 H ATOM 783 HG11 VAL A 53 -6.919 12.713 2.869 1.00 0.00 H ATOM 784 HG12 VAL A 53 -8.469 13.065 2.067 1.00 0.00 H ATOM 785 HG13 VAL A 53 -7.915 14.082 3.420 1.00 0.00 H ATOM 786 HG21 VAL A 53 -10.652 12.703 3.403 1.00 0.00 H ATOM 787 HG22 VAL A 53 -10.524 12.159 5.094 1.00 0.00 H ATOM 788 HG23 VAL A 53 -9.930 13.773 4.630 1.00 0.00 H ATOM 789 H VAL A 53 -6.607 10.575 3.853 1.00 0.00 H ATOM 790 N ASP A 54 -8.507 10.447 1.094 1.00 0.00 N ATOM 791 CA ASP A 54 -8.968 10.390 -0.303 1.00 0.00 C ATOM 792 C ASP A 54 -8.564 9.128 -1.080 1.00 0.00 C ATOM 793 O ASP A 54 -9.195 8.806 -2.086 1.00 0.00 O ATOM 794 CB ASP A 54 -8.645 11.699 -1.038 1.00 0.00 C ATOM 795 CG ASP A 54 -9.718 12.109 -2.060 1.00 0.00 C ATOM 796 OD1 ASP A 54 -10.932 11.927 -1.797 1.00 0.00 O ATOM 797 OD2 ASP A 54 -9.363 12.748 -3.071 1.00 0.00 O ATOM 798 HA ASP A 54 -10.053 10.294 -0.254 1.00 0.00 H ATOM 799 HB2 ASP A 54 -8.549 12.495 -0.300 1.00 0.00 H ATOM 800 HB3 ASP A 54 -7.698 11.576 -1.563 1.00 0.00 H ATOM 801 H ASP A 54 -7.485 10.405 1.281 1.00 0.00 H ATOM 802 N GLY A 55 -7.640 8.322 -0.547 1.00 0.00 N ATOM 803 CA GLY A 55 -7.382 6.963 -1.033 1.00 0.00 C ATOM 804 C GLY A 55 -8.239 5.896 -0.352 1.00 0.00 C ATOM 805 O GLY A 55 -8.671 4.949 -1.008 1.00 0.00 O ATOM 806 HA3 GLY A 55 -6.333 6.727 -0.856 1.00 0.00 H ATOM 807 HA2 GLY A 55 -7.584 6.936 -2.104 1.00 0.00 H ATOM 808 H GLY A 55 -7.076 8.677 0.252 1.00 0.00 H ATOM 809 N ARG A 56 -8.552 6.076 0.944 1.00 0.00 N ATOM 810 CA ARG A 56 -9.510 5.256 1.718 1.00 0.00 C ATOM 811 C ARG A 56 -9.294 3.739 1.545 1.00 0.00 C ATOM 812 O ARG A 56 -10.244 2.990 1.308 1.00 0.00 O ATOM 813 CB ARG A 56 -10.944 5.725 1.385 1.00 0.00 C ATOM 814 CG ARG A 56 -11.205 7.185 1.810 1.00 0.00 C ATOM 815 CD ARG A 56 -12.505 7.743 1.216 1.00 0.00 C ATOM 816 NE ARG A 56 -12.349 8.056 -0.221 1.00 0.00 N ATOM 817 CZ ARG A 56 -12.306 9.257 -0.775 1.00 0.00 C ATOM 818 NH1 ARG A 56 -12.464 10.364 -0.115 1.00 0.00 N ATOM 819 NH2 ARG A 56 -12.004 9.401 -2.028 1.00 0.00 N ATOM 820 HA ARG A 56 -9.334 5.414 2.782 1.00 0.00 H ATOM 821 HB2 ARG A 56 -11.098 5.642 0.309 1.00 0.00 H ATOM 822 HB3 ARG A 56 -11.652 5.078 1.903 1.00 0.00 H ATOM 823 HG2 ARG A 56 -11.270 7.227 2.897 1.00 0.00 H ATOM 824 HG3 ARG A 56 -10.372 7.802 1.473 1.00 0.00 H ATOM 825 HD2 ARG A 56 -12.778 8.653 1.750 1.00 0.00 H ATOM 826 HD3 ARG A 56 -13.296 7.003 1.334 1.00 0.00 H ATOM 827 HE ARG A 56 -12.264 7.244 -0.866 1.00 0.00 H ATOM 828 HH12 ARG A 56 -12.419 11.277 -0.612 1.00 0.00 H ATOM 829 HH11 ARG A 56 -12.636 10.338 0.910 1.00 0.00 H ATOM 830 HH22 ARG A 56 -11.974 10.351 -2.450 1.00 0.00 H ATOM 831 HH21 ARG A 56 -11.792 8.566 -2.611 1.00 0.00 H ATOM 832 H ARG A 56 -8.081 6.857 1.444 1.00 0.00 H ATOM 833 N LEU A 57 -8.029 3.305 1.583 1.00 0.00 N ATOM 834 CA LEU A 57 -7.620 1.896 1.440 1.00 0.00 C ATOM 835 C LEU A 57 -8.250 1.006 2.523 1.00 0.00 C ATOM 836 O LEU A 57 -8.549 1.485 3.621 1.00 0.00 O ATOM 837 CB LEU A 57 -6.084 1.775 1.493 1.00 0.00 C ATOM 838 CG LEU A 57 -5.291 2.631 0.487 1.00 0.00 C ATOM 839 CD1 LEU A 57 -3.806 2.295 0.613 1.00 0.00 C ATOM 840 CD2 LEU A 57 -5.713 2.401 -0.964 1.00 0.00 C ATOM 841 HA LEU A 57 -7.978 1.550 0.470 1.00 0.00 H ATOM 842 HB2 LEU A 57 -5.764 2.060 2.495 1.00 0.00 H ATOM 843 HB3 LEU A 57 -5.828 0.731 1.314 1.00 0.00 H ATOM 844 HG LEU A 57 -5.495 3.674 0.728 1.00 0.00 H ATOM 845 HD21 LEU A 57 -5.556 1.355 -1.225 1.00 0.00 H ATOM 846 HD22 LEU A 57 -6.768 2.651 -1.078 1.00 0.00 H ATOM 847 HD23 LEU A 57 -5.115 3.034 -1.620 1.00 0.00 H ATOM 848 HD11 LEU A 57 -3.470 2.512 1.627 1.00 0.00 H ATOM 849 HD12 LEU A 57 -3.655 1.237 0.397 1.00 0.00 H ATOM 850 HD13 LEU A 57 -3.237 2.897 -0.096 1.00 0.00 H ATOM 851 H LEU A 57 -7.280 4.013 1.724 1.00 0.00 H ATOM 852 N ALA A 58 -8.428 -0.291 2.255 1.00 0.00 N ATOM 853 CA ALA A 58 -9.054 -1.189 3.217 1.00 0.00 C ATOM 854 C ALA A 58 -8.011 -1.903 4.092 1.00 0.00 C ATOM 855 O ALA A 58 -6.941 -2.315 3.646 1.00 0.00 O ATOM 856 CB ALA A 58 -9.973 -2.165 2.471 1.00 0.00 C ATOM 857 HA ALA A 58 -9.664 -0.608 3.909 1.00 0.00 H ATOM 858 HB1 ALA A 58 -10.741 -1.604 1.939 1.00 0.00 H ATOM 859 HB2 ALA A 58 -9.385 -2.743 1.758 1.00 0.00 H ATOM 860 HB3 ALA A 58 -10.443 -2.839 3.187 1.00 0.00 H ATOM 861 H ALA A 58 -8.112 -0.668 1.339 1.00 0.00 H ATOM 862 N ALA A 59 -8.360 -2.108 5.366 1.00 0.00 N ATOM 863 CA ALA A 59 -7.604 -2.987 6.251 1.00 0.00 C ATOM 864 C ALA A 59 -7.529 -4.401 5.637 1.00 0.00 C ATOM 865 O ALA A 59 -8.555 -4.970 5.238 1.00 0.00 O ATOM 866 CB ALA A 59 -8.265 -2.992 7.634 1.00 0.00 C ATOM 867 HA ALA A 59 -6.582 -2.627 6.367 1.00 0.00 H ATOM 868 HB1 ALA A 59 -8.269 -1.979 8.037 1.00 0.00 H ATOM 869 HB2 ALA A 59 -9.290 -3.353 7.544 1.00 0.00 H ATOM 870 HB3 ALA A 59 -7.705 -3.647 8.301 1.00 0.00 H ATOM 871 H ALA A 59 -9.201 -1.623 5.740 1.00 0.00 H ATOM 872 N GLY A 60 -6.313 -4.921 5.485 1.00 0.00 N ATOM 873 CA GLY A 60 -6.019 -6.281 5.017 1.00 0.00 C ATOM 874 C GLY A 60 -5.544 -6.406 3.563 1.00 0.00 C ATOM 875 O GLY A 60 -5.227 -7.514 3.131 1.00 0.00 O ATOM 876 HA3 GLY A 60 -6.927 -6.874 5.123 1.00 0.00 H ATOM 877 HA2 GLY A 60 -5.240 -6.693 5.659 1.00 0.00 H ATOM 878 H GLY A 60 -5.503 -4.312 5.718 1.00 0.00 H ATOM 879 N ASP A 61 -5.503 -5.320 2.785 1.00 0.00 N ATOM 880 CA ASP A 61 -5.126 -5.366 1.363 1.00 0.00 C ATOM 881 C ASP A 61 -3.674 -5.862 1.172 1.00 0.00 C ATOM 882 O ASP A 61 -2.722 -5.196 1.579 1.00 0.00 O ATOM 883 CB ASP A 61 -5.370 -3.991 0.704 1.00 0.00 C ATOM 884 CG ASP A 61 -6.844 -3.569 0.697 1.00 0.00 C ATOM 885 OD1 ASP A 61 -7.695 -4.471 0.889 1.00 0.00 O ATOM 886 OD2 ASP A 61 -7.138 -2.371 0.480 1.00 0.00 O ATOM 887 HA ASP A 61 -5.762 -6.094 0.859 1.00 0.00 H ATOM 888 HB2 ASP A 61 -4.798 -3.240 1.250 1.00 0.00 H ATOM 889 HB3 ASP A 61 -5.019 -4.035 -0.327 1.00 0.00 H ATOM 890 H ASP A 61 -5.749 -4.400 3.204 1.00 0.00 H ATOM 891 N GLN A 62 -3.497 -7.055 0.590 1.00 0.00 N ATOM 892 CA GLN A 62 -2.204 -7.739 0.451 1.00 0.00 C ATOM 893 C GLN A 62 -1.342 -7.073 -0.625 1.00 0.00 C ATOM 894 O GLN A 62 -1.504 -7.345 -1.812 1.00 0.00 O ATOM 895 CB GLN A 62 -2.412 -9.237 0.192 1.00 0.00 C ATOM 896 CG GLN A 62 -1.082 -10.006 0.121 1.00 0.00 C ATOM 897 CD GLN A 62 -1.303 -11.495 -0.111 1.00 0.00 C ATOM 898 OE1 GLN A 62 -1.533 -12.277 0.804 1.00 0.00 O ATOM 899 NE2 GLN A 62 -1.285 -11.943 -1.347 1.00 0.00 N ATOM 900 HA GLN A 62 -1.657 -7.647 1.390 1.00 0.00 H ATOM 901 HB2 GLN A 62 -3.015 -9.652 0.999 1.00 0.00 H ATOM 902 HB3 GLN A 62 -2.939 -9.360 -0.754 1.00 0.00 H ATOM 903 HG2 GLN A 62 -0.485 -9.605 -0.699 1.00 0.00 H ATOM 904 HG3 GLN A 62 -0.545 -9.870 1.060 1.00 0.00 H ATOM 905 HE22 GLN A 62 -1.091 -11.291 -2.134 1.00 0.00 H ATOM 906 HE21 GLN A 62 -1.465 -12.949 -1.538 1.00 0.00 H ATOM 907 H GLN A 62 -4.338 -7.533 0.208 1.00 0.00 H ATOM 908 N LEU A 63 -0.481 -6.161 -0.190 1.00 0.00 N ATOM 909 CA LEU A 63 0.438 -5.381 -1.010 1.00 0.00 C ATOM 910 C LEU A 63 1.543 -6.275 -1.621 1.00 0.00 C ATOM 911 O LEU A 63 2.004 -7.234 -1.002 1.00 0.00 O ATOM 912 CB LEU A 63 0.894 -4.206 -0.114 1.00 0.00 C ATOM 913 CG LEU A 63 1.543 -2.976 -0.781 1.00 0.00 C ATOM 914 CD1 LEU A 63 1.486 -1.826 0.227 1.00 0.00 C ATOM 915 CD2 LEU A 63 3.016 -3.158 -1.139 1.00 0.00 C ATOM 916 HA LEU A 63 -0.016 -4.958 -1.906 1.00 0.00 H ATOM 917 HB2 LEU A 63 0.015 -3.853 0.425 1.00 0.00 H ATOM 918 HB3 LEU A 63 1.618 -4.606 0.596 1.00 0.00 H ATOM 919 HG LEU A 63 0.996 -2.798 -1.706 1.00 0.00 H ATOM 920 HD21 LEU A 63 3.585 -3.368 -0.234 1.00 0.00 H ATOM 921 HD22 LEU A 63 3.119 -3.990 -1.835 1.00 0.00 H ATOM 922 HD23 LEU A 63 3.391 -2.246 -1.603 1.00 0.00 H ATOM 923 HD11 LEU A 63 0.447 -1.619 0.482 1.00 0.00 H ATOM 924 HD12 LEU A 63 2.033 -2.106 1.127 1.00 0.00 H ATOM 925 HD13 LEU A 63 1.938 -0.937 -0.212 1.00 0.00 H ATOM 926 H LEU A 63 -0.460 -5.986 0.835 1.00 0.00 H ATOM 927 N LEU A 64 1.953 -5.973 -2.855 1.00 0.00 N ATOM 928 CA LEU A 64 2.884 -6.764 -3.674 1.00 0.00 C ATOM 929 C LEU A 64 3.979 -5.910 -4.332 1.00 0.00 C ATOM 930 O LEU A 64 5.128 -6.344 -4.361 1.00 0.00 O ATOM 931 CB LEU A 64 2.093 -7.510 -4.769 1.00 0.00 C ATOM 932 CG LEU A 64 1.080 -8.553 -4.264 1.00 0.00 C ATOM 933 CD1 LEU A 64 0.306 -9.127 -5.453 1.00 0.00 C ATOM 934 CD2 LEU A 64 1.751 -9.720 -3.529 1.00 0.00 C ATOM 935 HA LEU A 64 3.382 -7.466 -3.005 1.00 0.00 H ATOM 936 HB2 LEU A 64 1.548 -6.769 -5.354 1.00 0.00 H ATOM 937 HB3 LEU A 64 2.810 -8.022 -5.411 1.00 0.00 H ATOM 938 HG LEU A 64 0.420 -8.040 -3.564 1.00 0.00 H ATOM 939 HD21 LEU A 64 2.442 -10.224 -4.205 1.00 0.00 H ATOM 940 HD22 LEU A 64 2.297 -9.338 -2.666 1.00 0.00 H ATOM 941 HD23 LEU A 64 0.989 -10.424 -3.195 1.00 0.00 H ATOM 942 HD11 LEU A 64 -0.223 -8.322 -5.963 1.00 0.00 H ATOM 943 HD12 LEU A 64 1.003 -9.601 -6.144 1.00 0.00 H ATOM 944 HD13 LEU A 64 -0.411 -9.866 -5.095 1.00 0.00 H ATOM 945 H LEU A 64 1.580 -5.098 -3.276 1.00 0.00 H ATOM 946 N SER A 65 3.666 -4.690 -4.778 1.00 0.00 N ATOM 947 CA SER A 65 4.619 -3.750 -5.401 1.00 0.00 C ATOM 948 C SER A 65 4.434 -2.320 -4.889 1.00 0.00 C ATOM 949 O SER A 65 3.435 -1.998 -4.242 1.00 0.00 O ATOM 950 CB SER A 65 4.535 -3.742 -6.933 1.00 0.00 C ATOM 951 OG SER A 65 4.854 -5.000 -7.484 1.00 0.00 O ATOM 952 HA SER A 65 5.605 -4.114 -5.111 1.00 0.00 H ATOM 953 HB2 SER A 65 5.233 -3.000 -7.321 1.00 0.00 H ATOM 954 HB3 SER A 65 3.521 -3.474 -7.229 1.00 0.00 H ATOM 955 HG SER A 65 4.220 -5.679 -7.142 1.00 0.00 H ATOM 956 H SER A 65 2.678 -4.380 -4.679 1.00 0.00 H ATOM 957 N VAL A 66 5.416 -1.460 -5.168 1.00 0.00 N ATOM 958 CA VAL A 66 5.619 -0.159 -4.516 1.00 0.00 C ATOM 959 C VAL A 66 6.073 0.896 -5.522 1.00 0.00 C ATOM 960 O VAL A 66 6.602 0.561 -6.583 1.00 0.00 O ATOM 961 CB VAL A 66 6.655 -0.363 -3.386 1.00 0.00 C ATOM 962 CG1 VAL A 66 7.559 0.831 -3.062 1.00 0.00 C ATOM 963 CG2 VAL A 66 5.903 -0.804 -2.123 1.00 0.00 C ATOM 964 HA VAL A 66 4.683 0.209 -4.096 1.00 0.00 H ATOM 965 HB VAL A 66 7.347 -1.120 -3.755 1.00 0.00 H ATOM 966 HG11 VAL A 66 8.134 1.101 -3.948 1.00 0.00 H ATOM 967 HG12 VAL A 66 6.945 1.677 -2.754 1.00 0.00 H ATOM 968 HG13 VAL A 66 8.239 0.561 -2.254 1.00 0.00 H ATOM 969 HG21 VAL A 66 5.186 -0.033 -1.841 1.00 0.00 H ATOM 970 HG22 VAL A 66 5.376 -1.737 -2.323 1.00 0.00 H ATOM 971 HG23 VAL A 66 6.615 -0.954 -1.311 1.00 0.00 H ATOM 972 H VAL A 66 6.094 -1.733 -5.908 1.00 0.00 H ATOM 973 N ASP A 67 5.875 2.175 -5.196 1.00 0.00 N ATOM 974 CA ASP A 67 6.258 3.284 -6.069 1.00 0.00 C ATOM 975 C ASP A 67 7.719 3.191 -6.528 1.00 0.00 C ATOM 976 O ASP A 67 8.627 2.866 -5.756 1.00 0.00 O ATOM 977 CB ASP A 67 5.940 4.647 -5.449 1.00 0.00 C ATOM 978 CG ASP A 67 5.872 5.668 -6.581 1.00 0.00 C ATOM 979 OD1 ASP A 67 4.760 5.780 -7.149 1.00 0.00 O ATOM 980 OD2 ASP A 67 6.936 6.194 -6.971 1.00 0.00 O ATOM 981 HA ASP A 67 5.643 3.193 -6.964 1.00 0.00 H ATOM 982 HB2 ASP A 67 4.983 4.604 -4.929 1.00 0.00 H ATOM 983 HB3 ASP A 67 6.723 4.926 -4.744 1.00 0.00 H ATOM 984 H ASP A 67 5.429 2.392 -4.282 1.00 0.00 H ATOM 985 N GLY A 68 7.923 3.370 -7.833 1.00 0.00 N ATOM 986 CA GLY A 68 9.206 3.188 -8.512 1.00 0.00 C ATOM 987 C GLY A 68 9.815 1.774 -8.462 1.00 0.00 C ATOM 988 O GLY A 68 10.870 1.564 -9.063 1.00 0.00 O ATOM 989 HA3 GLY A 68 9.922 3.873 -8.058 1.00 0.00 H ATOM 990 HA2 GLY A 68 9.067 3.452 -9.560 1.00 0.00 H ATOM 991 H GLY A 68 7.109 3.661 -8.412 1.00 0.00 H ATOM 992 N ARG A 69 9.204 0.798 -7.772 1.00 0.00 N ATOM 993 CA ARG A 69 9.760 -0.543 -7.522 1.00 0.00 C ATOM 994 C ARG A 69 8.684 -1.639 -7.596 1.00 0.00 C ATOM 995 O ARG A 69 8.028 -1.978 -6.613 1.00 0.00 O ATOM 996 CB ARG A 69 10.488 -0.572 -6.164 1.00 0.00 C ATOM 997 CG ARG A 69 11.678 0.399 -6.043 1.00 0.00 C ATOM 998 CD ARG A 69 12.433 0.161 -4.727 1.00 0.00 C ATOM 999 NE ARG A 69 13.540 1.118 -4.542 1.00 0.00 N ATOM 1000 CZ ARG A 69 14.037 1.510 -3.384 1.00 0.00 C ATOM 1001 NH1 ARG A 69 13.608 0.943 -2.111 1.00 0.00 N ATOM 1002 NH2 ARG A 69 14.882 2.484 -3.325 1.00 0.00 N ATOM 1003 HA ARG A 69 10.480 -0.756 -8.312 1.00 0.00 H ATOM 1004 HB2 ARG A 69 9.766 -0.321 -5.387 1.00 0.00 H ATOM 1005 HB3 ARG A 69 10.859 -1.584 -6.000 1.00 0.00 H ATOM 1006 HG2 ARG A 69 12.357 0.241 -6.881 1.00 0.00 H ATOM 1007 HG3 ARG A 69 11.309 1.424 -6.065 1.00 0.00 H ATOM 1008 HD2 ARG A 69 12.839 -0.850 -4.732 1.00 0.00 H ATOM 1009 HD3 ARG A 69 11.735 0.266 -3.897 1.00 0.00 H ATOM 1010 HE ARG A 69 13.967 1.520 -5.401 1.00 0.00 H ATOM 1011 HH12 ARG A 69 14.028 1.283 -1.222 1.00 0.00 H ATOM 1012 HH11 ARG A 69 12.882 0.198 -2.092 1.00 0.00 H ATOM 1013 HH22 ARG A 69 15.267 2.784 -2.406 1.00 0.00 H ATOM 1014 HH21 ARG A 69 15.178 2.969 -4.196 1.00 0.00 H ATOM 1015 H ARG A 69 8.262 1.005 -7.383 1.00 0.00 H ATOM 1016 N SER A 70 8.549 -2.248 -8.773 1.00 0.00 N ATOM 1017 CA SER A 70 7.763 -3.458 -9.075 1.00 0.00 C ATOM 1018 C SER A 70 8.240 -4.730 -8.335 1.00 0.00 C ATOM 1019 O SER A 70 8.750 -5.665 -8.946 1.00 0.00 O ATOM 1020 CB SER A 70 7.736 -3.657 -10.605 1.00 0.00 C ATOM 1021 OG SER A 70 8.992 -3.347 -11.205 1.00 0.00 O ATOM 1022 HA SER A 70 6.753 -3.298 -8.697 1.00 0.00 H ATOM 1023 HB2 SER A 70 6.972 -3.007 -11.032 1.00 0.00 H ATOM 1024 HB3 SER A 70 7.489 -4.697 -10.821 1.00 0.00 H ATOM 1025 HG SER A 70 8.933 -3.487 -12.183 1.00 0.00 H ATOM 1026 H SER A 70 9.058 -1.820 -9.573 1.00 0.00 H ATOM 1027 N LEU A 71 8.128 -4.763 -6.999 1.00 0.00 N ATOM 1028 CA LEU A 71 8.624 -5.869 -6.153 1.00 0.00 C ATOM 1029 C LEU A 71 7.962 -7.231 -6.431 1.00 0.00 C ATOM 1030 O LEU A 71 8.562 -8.255 -6.111 1.00 0.00 O ATOM 1031 CB LEU A 71 8.433 -5.597 -4.644 1.00 0.00 C ATOM 1032 CG LEU A 71 8.378 -4.154 -4.127 1.00 0.00 C ATOM 1033 CD1 LEU A 71 7.808 -4.150 -2.712 1.00 0.00 C ATOM 1034 CD2 LEU A 71 9.761 -3.512 -4.133 1.00 0.00 C ATOM 1035 HA LEU A 71 9.680 -5.916 -6.419 1.00 0.00 H ATOM 1036 HB2 LEU A 71 7.495 -6.072 -4.354 1.00 0.00 H ATOM 1037 HB3 LEU A 71 9.260 -6.085 -4.129 1.00 0.00 H ATOM 1038 HG LEU A 71 7.736 -3.571 -4.788 1.00 0.00 H ATOM 1039 HD21 LEU A 71 10.430 -4.086 -3.492 1.00 0.00 H ATOM 1040 HD22 LEU A 71 10.151 -3.502 -5.151 1.00 0.00 H ATOM 1041 HD23 LEU A 71 9.687 -2.490 -3.761 1.00 0.00 H ATOM 1042 HD11 LEU A 71 6.804 -4.573 -2.725 1.00 0.00 H ATOM 1043 HD12 LEU A 71 8.447 -4.748 -2.062 1.00 0.00 H ATOM 1044 HD13 LEU A 71 7.767 -3.126 -2.341 1.00 0.00 H ATOM 1045 H LEU A 71 7.663 -3.960 -6.529 1.00 0.00 H ATOM 1046 N VAL A 72 6.711 -7.226 -6.912 1.00 0.00 N ATOM 1047 CA VAL A 72 5.735 -8.336 -7.047 1.00 0.00 C ATOM 1048 C VAL A 72 5.541 -9.294 -5.850 1.00 0.00 C ATOM 1049 O VAL A 72 4.681 -10.172 -5.916 1.00 0.00 O ATOM 1050 CB VAL A 72 5.883 -9.091 -8.385 1.00 0.00 C ATOM 1051 CG1 VAL A 72 5.741 -8.139 -9.581 1.00 0.00 C ATOM 1052 CG2 VAL A 72 7.202 -9.860 -8.524 1.00 0.00 C ATOM 1053 HA VAL A 72 4.790 -7.793 -7.045 1.00 0.00 H ATOM 1054 HB VAL A 72 5.075 -9.822 -8.382 1.00 0.00 H ATOM 1055 HG11 VAL A 72 4.758 -7.668 -9.554 1.00 0.00 H ATOM 1056 HG12 VAL A 72 6.514 -7.372 -9.527 1.00 0.00 H ATOM 1057 HG13 VAL A 72 5.850 -8.703 -10.507 1.00 0.00 H ATOM 1058 HG21 VAL A 72 8.037 -9.163 -8.453 1.00 0.00 H ATOM 1059 HG22 VAL A 72 7.276 -10.599 -7.727 1.00 0.00 H ATOM 1060 HG23 VAL A 72 7.228 -10.363 -9.491 1.00 0.00 H ATOM 1061 H VAL A 72 6.371 -6.300 -7.242 1.00 0.00 H ATOM 1062 N GLY A 73 6.272 -9.137 -4.740 1.00 0.00 N ATOM 1063 CA GLY A 73 6.062 -9.901 -3.503 1.00 0.00 C ATOM 1064 C GLY A 73 7.235 -9.909 -2.507 1.00 0.00 C ATOM 1065 O GLY A 73 7.483 -10.952 -1.901 1.00 0.00 O ATOM 1066 HA3 GLY A 73 5.853 -10.934 -3.780 1.00 0.00 H ATOM 1067 HA2 GLY A 73 5.195 -9.480 -2.994 1.00 0.00 H ATOM 1068 H GLY A 73 7.035 -8.431 -4.754 1.00 0.00 H ATOM 1069 N LEU A 74 7.962 -8.796 -2.319 1.00 0.00 N ATOM 1070 CA LEU A 74 9.197 -8.754 -1.506 1.00 0.00 C ATOM 1071 C LEU A 74 9.161 -7.681 -0.397 1.00 0.00 C ATOM 1072 O LEU A 74 8.500 -6.659 -0.523 1.00 0.00 O ATOM 1073 CB LEU A 74 10.422 -8.567 -2.420 1.00 0.00 C ATOM 1074 CG LEU A 74 10.635 -9.676 -3.471 1.00 0.00 C ATOM 1075 CD1 LEU A 74 11.785 -9.280 -4.401 1.00 0.00 C ATOM 1076 CD2 LEU A 74 10.989 -11.019 -2.829 1.00 0.00 C ATOM 1077 HA LEU A 74 9.273 -9.711 -0.990 1.00 0.00 H ATOM 1078 HB2 LEU A 74 10.308 -7.620 -2.948 1.00 0.00 H ATOM 1079 HB3 LEU A 74 11.310 -8.525 -1.789 1.00 0.00 H ATOM 1080 HG LEU A 74 9.699 -9.787 -4.018 1.00 0.00 H ATOM 1081 HD21 LEU A 74 11.909 -10.914 -2.255 1.00 0.00 H ATOM 1082 HD22 LEU A 74 10.180 -11.329 -2.168 1.00 0.00 H ATOM 1083 HD23 LEU A 74 11.129 -11.767 -3.609 1.00 0.00 H ATOM 1084 HD11 LEU A 74 11.539 -8.344 -4.903 1.00 0.00 H ATOM 1085 HD12 LEU A 74 12.696 -9.152 -3.816 1.00 0.00 H ATOM 1086 HD13 LEU A 74 11.936 -10.063 -5.144 1.00 0.00 H ATOM 1087 H LEU A 74 7.639 -7.916 -2.769 1.00 0.00 H ATOM 1088 N SER A 75 9.859 -7.939 0.710 1.00 0.00 N ATOM 1089 CA SER A 75 9.657 -7.276 2.008 1.00 0.00 C ATOM 1090 C SER A 75 10.012 -5.778 2.073 1.00 0.00 C ATOM 1091 O SER A 75 10.846 -5.263 1.323 1.00 0.00 O ATOM 1092 CB SER A 75 10.427 -8.052 3.081 1.00 0.00 C ATOM 1093 OG SER A 75 10.204 -9.445 2.917 1.00 0.00 O ATOM 1094 HA SER A 75 8.581 -7.295 2.180 1.00 0.00 H ATOM 1095 HB2 SER A 75 10.083 -7.744 4.068 1.00 0.00 H ATOM 1096 HB3 SER A 75 11.492 -7.842 2.986 1.00 0.00 H ATOM 1097 HG SER A 75 9.236 -9.636 3.004 1.00 0.00 H ATOM 1098 H SER A 75 10.602 -8.664 0.651 1.00 0.00 H ATOM 1099 N GLN A 76 9.389 -5.072 3.027 1.00 0.00 N ATOM 1100 CA GLN A 76 9.391 -3.604 3.131 1.00 0.00 C ATOM 1101 C GLN A 76 10.772 -2.941 3.229 1.00 0.00 C ATOM 1102 O GLN A 76 10.927 -1.801 2.793 1.00 0.00 O ATOM 1103 CB GLN A 76 8.457 -3.130 4.263 1.00 0.00 C ATOM 1104 CG GLN A 76 8.835 -3.561 5.692 1.00 0.00 C ATOM 1105 CD GLN A 76 10.002 -2.792 6.298 1.00 0.00 C ATOM 1106 OE1 GLN A 76 10.039 -1.573 6.322 1.00 0.00 O ATOM 1107 NE2 GLN A 76 11.017 -3.472 6.775 1.00 0.00 N ATOM 1108 HA GLN A 76 9.004 -3.263 2.171 1.00 0.00 H ATOM 1109 HB2 GLN A 76 8.435 -2.040 4.240 1.00 0.00 H ATOM 1110 HB3 GLN A 76 7.460 -3.516 4.053 1.00 0.00 H ATOM 1111 HG2 GLN A 76 7.964 -3.418 6.332 1.00 0.00 H ATOM 1112 HG3 GLN A 76 9.099 -4.618 5.670 1.00 0.00 H ATOM 1113 HE22 GLN A 76 10.999 -4.512 6.761 1.00 0.00 H ATOM 1114 HE21 GLN A 76 11.840 -2.971 7.167 1.00 0.00 H ATOM 1115 H GLN A 76 8.863 -5.603 3.750 1.00 0.00 H ATOM 1116 N GLU A 77 11.787 -3.629 3.746 1.00 0.00 N ATOM 1117 CA GLU A 77 13.150 -3.108 3.920 1.00 0.00 C ATOM 1118 C GLU A 77 13.835 -2.656 2.619 1.00 0.00 C ATOM 1119 O GLU A 77 14.824 -1.932 2.679 1.00 0.00 O ATOM 1120 CB GLU A 77 14.041 -4.088 4.721 1.00 0.00 C ATOM 1121 CG GLU A 77 13.739 -5.592 4.610 1.00 0.00 C ATOM 1122 CD GLU A 77 12.667 -6.019 5.625 1.00 0.00 C ATOM 1123 OE1 GLU A 77 13.011 -6.365 6.780 1.00 0.00 O ATOM 1124 OE2 GLU A 77 11.461 -5.913 5.315 1.00 0.00 O ATOM 1125 HA GLU A 77 13.027 -2.197 4.506 1.00 0.00 H ATOM 1126 HB2 GLU A 77 15.068 -3.938 4.389 1.00 0.00 H ATOM 1127 HB3 GLU A 77 13.957 -3.817 5.773 1.00 0.00 H ATOM 1128 HG2 GLU A 77 13.383 -5.810 3.603 1.00 0.00 H ATOM 1129 HG3 GLU A 77 14.653 -6.154 4.800 1.00 0.00 H ATOM 1130 H GLU A 77 11.602 -4.607 4.049 1.00 0.00 H ATOM 1131 N ARG A 78 13.295 -3.019 1.448 1.00 0.00 N ATOM 1132 CA ARG A 78 13.784 -2.546 0.137 1.00 0.00 C ATOM 1133 C ARG A 78 12.686 -1.835 -0.662 1.00 0.00 C ATOM 1134 O ARG A 78 12.795 -1.682 -1.876 1.00 0.00 O ATOM 1135 CB ARG A 78 14.531 -3.688 -0.582 1.00 0.00 C ATOM 1136 CG ARG A 78 15.694 -4.166 0.312 1.00 0.00 C ATOM 1137 CD ARG A 78 16.632 -5.194 -0.322 1.00 0.00 C ATOM 1138 NE ARG A 78 17.589 -5.685 0.695 1.00 0.00 N ATOM 1139 CZ ARG A 78 17.379 -6.628 1.597 1.00 0.00 C ATOM 1140 NH1 ARG A 78 16.301 -7.359 1.625 1.00 0.00 N ATOM 1141 NH2 ARG A 78 18.260 -6.843 2.522 1.00 0.00 N ATOM 1142 HA ARG A 78 14.527 -1.759 0.269 1.00 0.00 H ATOM 1143 HB2 ARG A 78 13.846 -4.516 -0.765 1.00 0.00 H ATOM 1144 HB3 ARG A 78 14.924 -3.327 -1.532 1.00 0.00 H ATOM 1145 HG2 ARG A 78 16.287 -3.294 0.586 1.00 0.00 H ATOM 1146 HG3 ARG A 78 15.266 -4.610 1.211 1.00 0.00 H ATOM 1147 HD2 ARG A 78 17.180 -4.729 -1.142 1.00 0.00 H ATOM 1148 HD3 ARG A 78 16.048 -6.031 -0.705 1.00 0.00 H ATOM 1149 HE ARG A 78 18.529 -5.240 0.700 1.00 0.00 H ATOM 1150 HH12 ARG A 78 16.186 -8.088 2.357 1.00 0.00 H ATOM 1151 HH11 ARG A 78 15.555 -7.213 0.915 1.00 0.00 H ATOM 1152 HH22 ARG A 78 18.097 -7.584 3.233 1.00 0.00 H ATOM 1153 HH21 ARG A 78 19.130 -6.274 2.554 1.00 0.00 H ATOM 1154 H ARG A 78 12.485 -3.671 1.463 1.00 0.00 H ATOM 1155 N ALA A 79 11.657 -1.338 0.031 1.00 0.00 N ATOM 1156 CA ALA A 79 10.464 -0.741 -0.571 1.00 0.00 C ATOM 1157 C ALA A 79 9.840 0.422 0.231 1.00 0.00 C ATOM 1158 O ALA A 79 9.625 1.497 -0.327 1.00 0.00 O ATOM 1159 CB ALA A 79 9.453 -1.875 -0.744 1.00 0.00 C ATOM 1160 HA ALA A 79 10.753 -0.282 -1.517 1.00 0.00 H ATOM 1161 HB1 ALA A 79 9.876 -2.641 -1.393 1.00 0.00 H ATOM 1162 HB2 ALA A 79 9.224 -2.308 0.230 1.00 0.00 H ATOM 1163 HB3 ALA A 79 8.540 -1.481 -1.192 1.00 0.00 H ATOM 1164 H ALA A 79 11.707 -1.378 1.069 1.00 0.00 H ATOM 1165 N ALA A 80 9.573 0.270 1.530 1.00 0.00 N ATOM 1166 CA ALA A 80 9.096 1.372 2.376 1.00 0.00 C ATOM 1167 C ALA A 80 10.101 2.538 2.473 1.00 0.00 C ATOM 1168 O ALA A 80 9.708 3.699 2.600 1.00 0.00 O ATOM 1169 CB ALA A 80 8.745 0.825 3.759 1.00 0.00 C ATOM 1170 HA ALA A 80 8.205 1.792 1.908 1.00 0.00 H ATOM 1171 HB1 ALA A 80 7.964 0.071 3.663 1.00 0.00 H ATOM 1172 HB2 ALA A 80 9.632 0.376 4.206 1.00 0.00 H ATOM 1173 HB3 ALA A 80 8.390 1.639 4.391 1.00 0.00 H ATOM 1174 H ALA A 80 9.708 -0.667 1.961 1.00 0.00 H ATOM 1175 N GLU A 81 11.391 2.236 2.329 1.00 0.00 N ATOM 1176 CA GLU A 81 12.484 3.185 2.120 1.00 0.00 C ATOM 1177 C GLU A 81 12.268 4.129 0.915 1.00 0.00 C ATOM 1178 O GLU A 81 12.618 5.308 0.994 1.00 0.00 O ATOM 1179 CB GLU A 81 13.753 2.320 2.021 1.00 0.00 C ATOM 1180 CG GLU A 81 15.069 3.089 1.801 1.00 0.00 C ATOM 1181 CD GLU A 81 15.427 3.418 0.350 1.00 0.00 C ATOM 1182 OE1 GLU A 81 14.957 2.750 -0.582 1.00 0.00 O ATOM 1183 OE2 GLU A 81 16.188 4.399 0.161 1.00 0.00 O ATOM 1184 HA GLU A 81 12.558 3.892 2.946 1.00 0.00 H ATOM 1185 HB2 GLU A 81 13.846 1.754 2.948 1.00 0.00 H ATOM 1186 HB3 GLU A 81 13.624 1.630 1.187 1.00 0.00 H ATOM 1187 HG2 GLU A 81 15.000 4.029 2.348 1.00 0.00 H ATOM 1188 HG3 GLU A 81 15.879 2.488 2.215 1.00 0.00 H ATOM 1189 H GLU A 81 11.645 1.228 2.369 1.00 0.00 H ATOM 1190 N LEU A 82 11.629 3.649 -0.162 1.00 0.00 N ATOM 1191 CA LEU A 82 11.179 4.480 -1.293 1.00 0.00 C ATOM 1192 C LEU A 82 9.849 5.162 -0.939 1.00 0.00 C ATOM 1193 O LEU A 82 9.794 6.393 -0.921 1.00 0.00 O ATOM 1194 CB LEU A 82 11.058 3.632 -2.582 1.00 0.00 C ATOM 1195 CG LEU A 82 11.010 4.389 -3.930 1.00 0.00 C ATOM 1196 CD1 LEU A 82 9.789 5.299 -4.077 1.00 0.00 C ATOM 1197 CD2 LEU A 82 12.267 5.232 -4.164 1.00 0.00 C ATOM 1198 HA LEU A 82 11.921 5.255 -1.485 1.00 0.00 H ATOM 1199 HB2 LEU A 82 11.916 2.961 -2.614 1.00 0.00 H ATOM 1200 HB3 LEU A 82 10.143 3.046 -2.503 1.00 0.00 H ATOM 1201 HG LEU A 82 10.945 3.600 -4.679 1.00 0.00 H ATOM 1202 HD21 LEU A 82 12.364 5.967 -3.365 1.00 0.00 H ATOM 1203 HD22 LEU A 82 13.142 4.583 -4.170 1.00 0.00 H ATOM 1204 HD23 LEU A 82 12.186 5.744 -5.123 1.00 0.00 H ATOM 1205 HD11 LEU A 82 8.881 4.701 -4.006 1.00 0.00 H ATOM 1206 HD12 LEU A 82 9.796 6.046 -3.283 1.00 0.00 H ATOM 1207 HD13 LEU A 82 9.823 5.797 -5.046 1.00 0.00 H ATOM 1208 H LEU A 82 11.439 2.627 -0.202 1.00 0.00 H ATOM 1209 N MET A 83 8.814 4.393 -0.551 1.00 0.00 N ATOM 1210 CA MET A 83 7.467 4.926 -0.252 1.00 0.00 C ATOM 1211 C MET A 83 7.448 6.094 0.735 1.00 0.00 C ATOM 1212 O MET A 83 6.601 6.982 0.640 1.00 0.00 O ATOM 1213 CB MET A 83 6.547 3.880 0.381 1.00 0.00 C ATOM 1214 CG MET A 83 6.229 2.683 -0.496 1.00 0.00 C ATOM 1215 SD MET A 83 4.837 1.713 0.116 1.00 0.00 S ATOM 1216 CE MET A 83 5.427 1.148 1.727 1.00 0.00 C ATOM 1217 HA MET A 83 7.126 5.248 -1.236 1.00 0.00 H ATOM 1218 HB2 MET A 83 7.026 3.515 1.289 1.00 0.00 H ATOM 1219 HB3 MET A 83 5.607 4.369 0.638 1.00 0.00 H ATOM 1220 HG2 MET A 83 7.108 2.040 -0.540 1.00 0.00 H ATOM 1221 HG3 MET A 83 5.991 3.039 -1.498 1.00 0.00 H ATOM 1222 HE1 MET A 83 6.330 0.553 1.593 1.00 0.00 H ATOM 1223 HE2 MET A 83 5.649 2.011 2.355 1.00 0.00 H ATOM 1224 HE3 MET A 83 4.657 0.540 2.202 1.00 0.00 H ATOM 1225 H MET A 83 8.970 3.369 -0.456 1.00 0.00 H ATOM 1226 N THR A 84 8.343 6.096 1.718 1.00 0.00 N ATOM 1227 CA THR A 84 8.412 7.165 2.725 1.00 0.00 C ATOM 1228 C THR A 84 8.781 8.516 2.101 1.00 0.00 C ATOM 1229 O THR A 84 8.313 9.548 2.577 1.00 0.00 O ATOM 1230 CB THR A 84 9.403 6.787 3.840 1.00 0.00 C ATOM 1231 OG1 THR A 84 9.007 5.561 4.412 1.00 0.00 O ATOM 1232 CG2 THR A 84 9.446 7.794 4.988 1.00 0.00 C ATOM 1233 HA THR A 84 7.419 7.274 3.161 1.00 0.00 H ATOM 1234 HB THR A 84 10.384 6.749 3.367 1.00 0.00 H ATOM 1235 HG1 THR A 84 9.005 4.858 3.715 1.00 0.00 H ATOM 1236 HG23 THR A 84 9.748 8.768 4.604 1.00 0.00 H ATOM 1237 HG21 THR A 84 8.457 7.871 5.439 1.00 0.00 H ATOM 1238 HG22 THR A 84 10.163 7.459 5.737 1.00 0.00 H ATOM 1239 H THR A 84 9.021 5.310 1.777 1.00 0.00 H ATOM 1240 N ARG A 85 9.589 8.542 1.029 1.00 0.00 N ATOM 1241 CA ARG A 85 10.032 9.795 0.375 1.00 0.00 C ATOM 1242 C ARG A 85 9.034 10.373 -0.636 1.00 0.00 C ATOM 1243 O ARG A 85 9.213 11.513 -1.063 1.00 0.00 O ATOM 1244 CB ARG A 85 11.397 9.601 -0.304 1.00 0.00 C ATOM 1245 CG ARG A 85 12.503 9.157 0.664 1.00 0.00 C ATOM 1246 CD ARG A 85 13.880 9.392 0.022 1.00 0.00 C ATOM 1247 NE ARG A 85 14.964 8.685 0.730 1.00 0.00 N ATOM 1248 CZ ARG A 85 15.389 7.471 0.443 1.00 0.00 C ATOM 1249 NH1 ARG A 85 14.775 6.677 -0.379 1.00 0.00 N ATOM 1250 NH2 ARG A 85 16.457 6.998 1.003 1.00 0.00 N ATOM 1251 HA ARG A 85 10.107 10.524 1.182 1.00 0.00 H ATOM 1252 HB2 ARG A 85 11.292 8.843 -1.080 1.00 0.00 H ATOM 1253 HB3 ARG A 85 11.694 10.546 -0.759 1.00 0.00 H ATOM 1254 HG2 ARG A 85 12.430 9.733 1.586 1.00 0.00 H ATOM 1255 HG3 ARG A 85 12.384 8.097 0.889 1.00 0.00 H ATOM 1256 HD2 ARG A 85 14.093 10.461 0.034 1.00 0.00 H ATOM 1257 HD3 ARG A 85 13.849 9.041 -1.009 1.00 0.00 H ATOM 1258 HE ARG A 85 15.429 9.183 1.516 1.00 0.00 H ATOM 1259 HH12 ARG A 85 15.157 5.728 -0.568 1.00 0.00 H ATOM 1260 HH11 ARG A 85 13.901 6.989 -0.849 1.00 0.00 H ATOM 1261 HH22 ARG A 85 16.785 6.039 0.770 1.00 0.00 H ATOM 1262 HH21 ARG A 85 16.987 7.577 1.685 1.00 0.00 H ATOM 1263 H ARG A 85 9.920 7.637 0.638 1.00 0.00 H ATOM 1264 N THR A 86 7.987 9.616 -0.980 1.00 0.00 N ATOM 1265 CA THR A 86 6.980 9.874 -2.033 1.00 0.00 C ATOM 1266 C THR A 86 6.660 11.339 -2.336 1.00 0.00 C ATOM 1267 O THR A 86 6.698 11.740 -3.492 1.00 0.00 O ATOM 1268 CB THR A 86 5.693 9.149 -1.636 1.00 0.00 C ATOM 1269 OG1 THR A 86 5.926 7.775 -1.766 1.00 0.00 O ATOM 1270 CG2 THR A 86 4.473 9.495 -2.474 1.00 0.00 C ATOM 1271 HA THR A 86 7.423 9.504 -2.958 1.00 0.00 H ATOM 1272 HB THR A 86 5.462 9.464 -0.619 1.00 0.00 H ATOM 1273 HG1 THR A 86 6.671 7.510 -1.170 1.00 0.00 H ATOM 1274 HG23 THR A 86 4.268 10.562 -2.391 1.00 0.00 H ATOM 1275 HG21 THR A 86 4.666 9.241 -3.516 1.00 0.00 H ATOM 1276 HG22 THR A 86 3.614 8.929 -2.113 1.00 0.00 H ATOM 1277 H THR A 86 7.865 8.736 -0.440 1.00 0.00 H ATOM 1278 N SER A 87 6.342 12.141 -1.316 1.00 0.00 N ATOM 1279 CA SER A 87 6.001 13.578 -1.399 1.00 0.00 C ATOM 1280 C SER A 87 4.800 13.992 -2.278 1.00 0.00 C ATOM 1281 O SER A 87 4.277 15.082 -2.057 1.00 0.00 O ATOM 1282 CB SER A 87 7.249 14.395 -1.761 1.00 0.00 C ATOM 1283 OG SER A 87 8.302 14.109 -0.854 1.00 0.00 O ATOM 1284 HA SER A 87 5.644 13.808 -0.395 1.00 0.00 H ATOM 1285 HB2 SER A 87 7.011 15.458 -1.713 1.00 0.00 H ATOM 1286 HB3 SER A 87 7.566 14.140 -2.772 1.00 0.00 H ATOM 1287 HG SER A 87 8.521 13.145 -0.898 1.00 0.00 H ATOM 1288 H SER A 87 6.333 11.712 -0.369 1.00 0.00 H ATOM 1289 N SER A 88 4.302 13.162 -3.212 1.00 0.00 N ATOM 1290 CA SER A 88 3.238 13.557 -4.158 1.00 0.00 C ATOM 1291 C SER A 88 2.205 12.473 -4.512 1.00 0.00 C ATOM 1292 O SER A 88 1.010 12.779 -4.534 1.00 0.00 O ATOM 1293 CB SER A 88 3.869 14.115 -5.436 1.00 0.00 C ATOM 1294 OG SER A 88 4.684 13.144 -6.056 1.00 0.00 O ATOM 1295 HA SER A 88 2.662 14.315 -3.628 1.00 0.00 H ATOM 1296 HB2 SER A 88 4.476 14.985 -5.185 1.00 0.00 H ATOM 1297 HB3 SER A 88 3.079 14.412 -6.125 1.00 0.00 H ATOM 1298 HG SER A 88 5.405 12.874 -5.434 1.00 0.00 H ATOM 1299 H SER A 88 4.684 12.196 -3.271 1.00 0.00 H ATOM 1300 N VAL A 89 2.603 11.214 -4.719 1.00 0.00 N ATOM 1301 CA VAL A 89 1.690 10.080 -4.988 1.00 0.00 C ATOM 1302 C VAL A 89 2.417 8.746 -4.820 1.00 0.00 C ATOM 1303 O VAL A 89 3.465 8.555 -5.422 1.00 0.00 O ATOM 1304 CB VAL A 89 1.076 10.204 -6.409 1.00 0.00 C ATOM 1305 CG1 VAL A 89 2.079 10.415 -7.553 1.00 0.00 C ATOM 1306 CG2 VAL A 89 0.197 9.002 -6.760 1.00 0.00 C ATOM 1307 HA VAL A 89 0.878 10.111 -4.262 1.00 0.00 H ATOM 1308 HB VAL A 89 0.483 11.115 -6.335 1.00 0.00 H ATOM 1309 HG11 VAL A 89 2.637 11.335 -7.380 1.00 0.00 H ATOM 1310 HG12 VAL A 89 2.768 9.572 -7.590 1.00 0.00 H ATOM 1311 HG13 VAL A 89 1.540 10.488 -8.498 1.00 0.00 H ATOM 1312 HG21 VAL A 89 0.797 8.093 -6.726 1.00 0.00 H ATOM 1313 HG22 VAL A 89 -0.619 8.928 -6.041 1.00 0.00 H ATOM 1314 HG23 VAL A 89 -0.211 9.132 -7.762 1.00 0.00 H ATOM 1315 H VAL A 89 3.624 11.017 -4.689 1.00 0.00 H ATOM 1316 N VAL A 90 1.880 7.816 -4.022 1.00 0.00 N ATOM 1317 CA VAL A 90 2.338 6.411 -4.059 1.00 0.00 C ATOM 1318 C VAL A 90 1.546 5.673 -5.132 1.00 0.00 C ATOM 1319 O VAL A 90 0.325 5.554 -5.033 1.00 0.00 O ATOM 1320 CB VAL A 90 2.191 5.643 -2.722 1.00 0.00 C ATOM 1321 CG1 VAL A 90 3.481 5.631 -1.903 1.00 0.00 C ATOM 1322 CG2 VAL A 90 1.054 6.150 -1.828 1.00 0.00 C ATOM 1323 HA VAL A 90 3.406 6.445 -4.272 1.00 0.00 H ATOM 1324 HB VAL A 90 1.947 4.629 -3.039 1.00 0.00 H ATOM 1325 HG11 VAL A 90 4.271 5.150 -2.479 1.00 0.00 H ATOM 1326 HG12 VAL A 90 3.771 6.655 -1.670 1.00 0.00 H ATOM 1327 HG13 VAL A 90 3.317 5.079 -0.978 1.00 0.00 H ATOM 1328 HG21 VAL A 90 1.229 7.197 -1.579 1.00 0.00 H ATOM 1329 HG22 VAL A 90 0.106 6.055 -2.358 1.00 0.00 H ATOM 1330 HG23 VAL A 90 1.021 5.558 -0.913 1.00 0.00 H ATOM 1331 H VAL A 90 1.124 8.087 -3.361 1.00 0.00 H ATOM 1332 N THR A 91 2.205 5.159 -6.163 1.00 0.00 N ATOM 1333 CA THR A 91 1.729 3.935 -6.823 1.00 0.00 C ATOM 1334 C THR A 91 2.045 2.734 -5.930 1.00 0.00 C ATOM 1335 O THR A 91 3.041 2.708 -5.205 1.00 0.00 O ATOM 1336 CB THR A 91 2.284 3.745 -8.248 1.00 0.00 C ATOM 1337 OG1 THR A 91 3.685 3.707 -8.296 1.00 0.00 O ATOM 1338 CG2 THR A 91 1.850 4.872 -9.187 1.00 0.00 C ATOM 1339 HA THR A 91 0.651 4.027 -6.954 1.00 0.00 H ATOM 1340 HB THR A 91 1.875 2.786 -8.567 1.00 0.00 H ATOM 1341 HG1 THR A 91 4.049 4.558 -7.944 1.00 0.00 H ATOM 1342 HG23 THR A 91 0.762 4.945 -9.187 1.00 0.00 H ATOM 1343 HG21 THR A 91 2.279 5.814 -8.844 1.00 0.00 H ATOM 1344 HG22 THR A 91 2.201 4.658 -10.196 1.00 0.00 H ATOM 1345 H THR A 91 3.067 5.627 -6.508 1.00 0.00 H ATOM 1346 N LEU A 92 1.141 1.762 -5.932 1.00 0.00 N ATOM 1347 CA LEU A 92 1.160 0.526 -5.153 1.00 0.00 C ATOM 1348 C LEU A 92 0.538 -0.595 -5.999 1.00 0.00 C ATOM 1349 O LEU A 92 -0.129 -0.347 -7.001 1.00 0.00 O ATOM 1350 CB LEU A 92 0.326 0.684 -3.858 1.00 0.00 C ATOM 1351 CG LEU A 92 0.741 1.804 -2.890 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -0.274 1.890 -1.750 1.00 0.00 C ATOM 1353 CD2 LEU A 92 2.118 1.569 -2.263 1.00 0.00 C ATOM 1354 HA LEU A 92 2.190 0.291 -4.886 1.00 0.00 H ATOM 1355 HB2 LEU A 92 -0.707 0.870 -4.153 1.00 0.00 H ATOM 1356 HB3 LEU A 92 0.383 -0.259 -3.314 1.00 0.00 H ATOM 1357 HG LEU A 92 0.779 2.723 -3.475 1.00 0.00 H ATOM 1358 HD21 LEU A 92 2.106 0.633 -1.704 1.00 0.00 H ATOM 1359 HD22 LEU A 92 2.870 1.514 -3.050 1.00 0.00 H ATOM 1360 HD23 LEU A 92 2.355 2.393 -1.590 1.00 0.00 H ATOM 1361 HD11 LEU A 92 -1.260 2.108 -2.159 1.00 0.00 H ATOM 1362 HD12 LEU A 92 -0.302 0.939 -1.218 1.00 0.00 H ATOM 1363 HD13 LEU A 92 0.019 2.684 -1.063 1.00 0.00 H ATOM 1364 H LEU A 92 0.324 1.896 -6.561 1.00 0.00 H ATOM 1365 N GLU A 93 0.668 -1.835 -5.546 1.00 0.00 N ATOM 1366 CA GLU A 93 -0.057 -2.997 -6.081 1.00 0.00 C ATOM 1367 C GLU A 93 -0.545 -3.836 -4.904 1.00 0.00 C ATOM 1368 O GLU A 93 0.245 -4.114 -4.001 1.00 0.00 O ATOM 1369 CB GLU A 93 0.896 -3.785 -6.996 1.00 0.00 C ATOM 1370 CG GLU A 93 0.332 -5.020 -7.718 1.00 0.00 C ATOM 1371 CD GLU A 93 1.421 -5.732 -8.547 1.00 0.00 C ATOM 1372 OE1 GLU A 93 2.522 -5.987 -7.996 1.00 0.00 O ATOM 1373 OE2 GLU A 93 1.170 -6.019 -9.741 1.00 0.00 O ATOM 1374 HA GLU A 93 -0.923 -2.700 -6.672 1.00 0.00 H ATOM 1375 HB2 GLU A 93 1.258 -3.097 -7.760 1.00 0.00 H ATOM 1376 HB3 GLU A 93 1.734 -4.119 -6.384 1.00 0.00 H ATOM 1377 HG2 GLU A 93 -0.062 -5.716 -6.977 1.00 0.00 H ATOM 1378 HG3 GLU A 93 -0.472 -4.706 -8.383 1.00 0.00 H ATOM 1379 H GLU A 93 1.328 -1.996 -4.759 1.00 0.00 H ATOM 1380 N VAL A 94 -1.831 -4.195 -4.874 1.00 0.00 N ATOM 1381 CA VAL A 94 -2.471 -4.859 -3.726 1.00 0.00 C ATOM 1382 C VAL A 94 -3.503 -5.915 -4.145 1.00 0.00 C ATOM 1383 O VAL A 94 -3.984 -5.929 -5.274 1.00 0.00 O ATOM 1384 CB VAL A 94 -3.135 -3.844 -2.760 1.00 0.00 C ATOM 1385 CG1 VAL A 94 -2.204 -2.742 -2.239 1.00 0.00 C ATOM 1386 CG2 VAL A 94 -4.358 -3.154 -3.374 1.00 0.00 C ATOM 1387 HA VAL A 94 -1.661 -5.367 -3.203 1.00 0.00 H ATOM 1388 HB VAL A 94 -3.426 -4.475 -1.920 1.00 0.00 H ATOM 1389 HG11 VAL A 94 -1.375 -3.195 -1.696 1.00 0.00 H ATOM 1390 HG12 VAL A 94 -1.817 -2.167 -3.080 1.00 0.00 H ATOM 1391 HG13 VAL A 94 -2.760 -2.083 -1.572 1.00 0.00 H ATOM 1392 HG21 VAL A 94 -4.056 -2.613 -4.271 1.00 0.00 H ATOM 1393 HG22 VAL A 94 -5.104 -3.904 -3.635 1.00 0.00 H ATOM 1394 HG23 VAL A 94 -4.780 -2.455 -2.652 1.00 0.00 H ATOM 1395 H VAL A 94 -2.415 -3.994 -5.711 1.00 0.00 H ATOM 1396 N ALA A 95 -3.903 -6.771 -3.200 1.00 0.00 N ATOM 1397 CA ALA A 95 -4.953 -7.773 -3.364 1.00 0.00 C ATOM 1398 C ALA A 95 -5.878 -7.847 -2.136 1.00 0.00 C ATOM 1399 O ALA A 95 -5.458 -8.255 -1.050 1.00 0.00 O ATOM 1400 CB ALA A 95 -4.290 -9.118 -3.674 1.00 0.00 C ATOM 1401 HA ALA A 95 -5.600 -7.491 -4.195 1.00 0.00 H ATOM 1402 HB1 ALA A 95 -3.708 -9.032 -4.592 1.00 0.00 H ATOM 1403 HB2 ALA A 95 -3.633 -9.396 -2.850 1.00 0.00 H ATOM 1404 HB3 ALA A 95 -5.059 -9.880 -3.800 1.00 0.00 H ATOM 1405 H ALA A 95 -3.430 -6.720 -2.275 1.00 0.00 H ATOM 1406 N LYS A 96 -7.144 -7.429 -2.298 1.00 0.00 N ATOM 1407 CA LYS A 96 -8.136 -7.359 -1.205 1.00 0.00 C ATOM 1408 C LYS A 96 -8.333 -8.711 -0.502 1.00 0.00 C ATOM 1409 O LYS A 96 -8.967 -9.626 -1.034 1.00 0.00 O ATOM 1410 CB LYS A 96 -9.474 -6.754 -1.700 1.00 0.00 C ATOM 1411 CG LYS A 96 -10.243 -5.906 -0.660 1.00 0.00 C ATOM 1412 CD LYS A 96 -10.757 -6.625 0.607 1.00 0.00 C ATOM 1413 CE LYS A 96 -10.801 -5.721 1.854 1.00 0.00 C ATOM 1414 NZ LYS A 96 -9.481 -5.630 2.530 1.00 0.00 N ATOM 1415 HA LYS A 96 -7.734 -6.685 -0.449 1.00 0.00 H ATOM 1416 HB2 LYS A 96 -9.259 -6.119 -2.559 1.00 0.00 H ATOM 1417 HB3 LYS A 96 -10.121 -7.575 -2.009 1.00 0.00 H ATOM 1418 HG2 LYS A 96 -9.578 -5.106 -0.335 1.00 0.00 H ATOM 1419 HG3 LYS A 96 -11.108 -5.475 -1.165 1.00 0.00 H ATOM 1420 HD2 LYS A 96 -11.765 -6.991 0.411 1.00 0.00 H ATOM 1421 HD3 LYS A 96 -10.099 -7.469 0.816 1.00 0.00 H ATOM 1422 HE2 LYS A 96 -11.528 -6.128 2.557 1.00 0.00 H ATOM 1423 HE3 LYS A 96 -11.110 -4.720 1.552 1.00 0.00 H ATOM 1424 HZ1 LYS A 96 -9.180 -6.579 2.830 1.00 0.00 H ATOM 1425 HZ2 LYS A 96 -8.781 -5.236 1.870 1.00 0.00 H ATOM 1426 HZ3 LYS A 96 -9.561 -5.012 3.362 1.00 0.00 H ATOM 1427 H LYS A 96 -7.444 -7.137 -3.250 1.00 0.00 H ATOM 1428 N GLN A 97 -7.857 -8.794 0.736 1.00 0.00 N ATOM 1429 CA GLN A 97 -8.178 -9.857 1.703 1.00 0.00 C ATOM 1430 C GLN A 97 -8.567 -9.233 3.049 1.00 0.00 C ATOM 1431 O GLN A 97 -8.284 -8.059 3.277 1.00 0.00 O ATOM 1432 CB GLN A 97 -6.998 -10.831 1.843 1.00 0.00 C ATOM 1433 CG GLN A 97 -6.746 -11.670 0.586 1.00 0.00 C ATOM 1434 CD GLN A 97 -5.544 -12.588 0.745 1.00 0.00 C ATOM 1435 OE1 GLN A 97 -5.638 -13.807 0.774 1.00 0.00 O ATOM 1436 NE2 GLN A 97 -4.369 -12.014 0.855 1.00 0.00 N ATOM 1437 HA GLN A 97 -9.030 -10.432 1.340 1.00 0.00 H ATOM 1438 HB2 GLN A 97 -6.098 -10.255 2.060 1.00 0.00 H ATOM 1439 HB3 GLN A 97 -7.204 -11.506 2.673 1.00 0.00 H ATOM 1440 HG2 GLN A 97 -7.629 -12.277 0.385 1.00 0.00 H ATOM 1441 HG3 GLN A 97 -6.568 -11.000 -0.255 1.00 0.00 H ATOM 1442 HE22 GLN A 97 -4.292 -10.977 0.830 1.00 0.00 H ATOM 1443 HE21 GLN A 97 -3.514 -12.596 0.967 1.00 0.00 H ATOM 1444 H GLN A 97 -7.204 -8.047 1.047 1.00 0.00 H ATOM 1445 N GLY A 98 -9.224 -9.996 3.924 1.00 0.00 N ATOM 1446 CA GLY A 98 -9.737 -9.479 5.200 1.00 0.00 C ATOM 1447 C GLY A 98 -10.697 -8.285 5.081 1.00 0.00 C ATOM 1448 O GLY A 98 -11.145 -7.913 3.994 1.00 0.00 O ATOM 1449 HA3 GLY A 98 -8.886 -9.169 5.806 1.00 0.00 H ATOM 1450 HA2 GLY A 98 -10.265 -10.288 5.705 1.00 0.00 H ATOM 1451 H GLY A 98 -9.380 -10.998 3.693 1.00 0.00 H ATOM 1452 N ALA A 99 -11.008 -7.678 6.220 1.00 0.00 N ATOM 1453 CA ALA A 99 -11.860 -6.497 6.346 1.00 0.00 C ATOM 1454 C ALA A 99 -11.448 -5.676 7.584 1.00 0.00 C ATOM 1455 O ALA A 99 -10.505 -6.046 8.286 1.00 0.00 O ATOM 1456 CB ALA A 99 -13.327 -6.965 6.434 1.00 0.00 C ATOM 1457 HA ALA A 99 -11.747 -5.848 5.478 1.00 0.00 H ATOM 1458 HB1 ALA A 99 -13.585 -7.518 5.531 1.00 0.00 H ATOM 1459 HB2 ALA A 99 -13.450 -7.610 7.304 1.00 0.00 H ATOM 1460 HB3 ALA A 99 -13.979 -6.097 6.529 1.00 0.00 H ATOM 1461 H ALA A 99 -10.612 -8.076 7.096 1.00 0.00 H ATOM 1462 N ILE A 100 -12.171 -4.585 7.873 1.00 0.00 N ATOM 1463 CA ILE A 100 -12.101 -3.909 9.182 1.00 0.00 C ATOM 1464 C ILE A 100 -12.554 -4.900 10.273 1.00 0.00 C ATOM 1465 O ILE A 100 -11.783 -5.210 11.177 1.00 0.00 O ATOM 1466 CB ILE A 100 -12.956 -2.613 9.185 1.00 0.00 C ATOM 1467 CG1 ILE A 100 -12.506 -1.645 8.063 1.00 0.00 C ATOM 1468 CG2 ILE A 100 -12.880 -1.922 10.562 1.00 0.00 C ATOM 1469 CD1 ILE A 100 -13.380 -0.391 7.916 1.00 0.00 C ATOM 1470 HA ILE A 100 -11.075 -3.603 9.387 1.00 0.00 H ATOM 1471 HB ILE A 100 -13.992 -2.890 8.992 1.00 0.00 H ATOM 1472 HG12 ILE A 100 -11.486 -1.326 8.277 1.00 0.00 H ATOM 1473 HG13 ILE A 100 -12.525 -2.187 7.117 1.00 0.00 H ATOM 1474 HD11 ILE A 100 -14.404 -0.688 7.688 1.00 0.00 H ATOM 1475 HD12 ILE A 100 -13.363 0.173 8.848 1.00 0.00 H ATOM 1476 HD13 ILE A 100 -12.991 0.228 7.108 1.00 0.00 H ATOM 1477 HG21 ILE A 100 -13.258 -2.599 11.328 1.00 0.00 H ATOM 1478 HG22 ILE A 100 -11.844 -1.665 10.781 1.00 0.00 H ATOM 1479 HG23 ILE A 100 -13.485 -1.015 10.546 1.00 0.00 H ATOM 1480 H ILE A 100 -12.807 -4.200 7.145 1.00 0.00 H ATOM 1481 N TYR A 101 -13.754 -5.464 10.085 1.00 0.00 N ATOM 1482 CA TYR A 101 -14.334 -6.635 10.754 1.00 0.00 C ATOM 1483 C TYR A 101 -15.308 -7.312 9.775 1.00 0.00 C ATOM 1484 O TYR A 101 -15.883 -6.604 8.914 1.00 0.00 O ATOM 1485 CB TYR A 101 -15.053 -6.218 12.052 1.00 0.00 C ATOM 1486 CG TYR A 101 -14.162 -5.726 13.185 1.00 0.00 C ATOM 1487 CD1 TYR A 101 -13.223 -6.611 13.763 1.00 0.00 C ATOM 1488 CD2 TYR A 101 -14.283 -4.402 13.668 1.00 0.00 C ATOM 1489 CE1 TYR A 101 -12.391 -6.168 14.812 1.00 0.00 C ATOM 1490 CE2 TYR A 101 -13.453 -3.953 14.720 1.00 0.00 C ATOM 1491 CZ TYR A 101 -12.502 -4.838 15.284 1.00 0.00 C ATOM 1492 OH TYR A 101 -11.691 -4.427 16.298 1.00 0.00 O ATOM 1493 HA TYR A 101 -13.547 -7.336 11.033 1.00 0.00 H ATOM 1494 OXT TYR A 101 -15.466 -8.549 9.826 1.00 0.00 O ATOM 1495 HB3 TYR A 101 -15.609 -7.082 12.417 1.00 0.00 H ATOM 1496 HB2 TYR A 101 -15.750 -5.417 11.804 1.00 0.00 H ATOM 1497 HD2 TYR A 101 -15.017 -3.727 13.228 1.00 0.00 H ATOM 1498 HE2 TYR A 101 -13.544 -2.933 15.094 1.00 0.00 H ATOM 1499 HE1 TYR A 101 -11.665 -6.848 15.258 1.00 0.00 H ATOM 1500 HD1 TYR A 101 -13.142 -7.635 13.398 1.00 0.00 H ATOM 1501 HH TYR A 101 -11.095 -5.171 16.565 1.00 0.00 H ATOM 1502 H TYR A 101 -14.356 -5.011 9.368 1.00 0.00 H TER 1503 TYR A 101 HETATM 1504 C8 STF A 1 4.467 6.819 6.841 1.00 0.12 C HETATM 1505 S12 STF A 1 5.501 7.717 5.591 1.00 -0.00 S HETATM 1506 C11 STF A 1 3.997 8.495 4.876 1.00 0.16 C HETATM 1507 N10 STF A 1 2.834 8.163 5.475 1.00 -0.25 N HETATM 1508 C9 STF A 1 3.012 7.167 6.570 1.00 0.17 C HETATM 1509 O17 STF A 1 2.087 6.903 7.304 1.00 -0.39 O HETATM 1510 S18 STF A 1 4.206 9.691 3.631 1.00 -0.05 S HETATM 1511 H2 STF A 1 3.303 10.028 3.336 1.00 0.14 H HETATM 1512 C7 STF A 1 4.684 5.346 6.722 1.00 0.03 C HETATM 1513 C1 STF A 1 3.996 4.702 5.568 1.00 -0.01 C HETATM 1514 C6 STF A 1 4.436 4.807 4.255 1.00 -0.03 C HETATM 1515 C5 STF A 1 3.738 4.226 3.181 1.00 -0.04 C HETATM 1516 C4 STF A 1 2.600 3.429 3.428 1.00 0.04 C HETATM 1517 C3 STF A 1 2.249 3.183 4.772 1.00 -0.04 C HETATM 1518 C2 STF A 1 2.946 3.759 5.822 1.00 -0.03 C HETATM 1519 H8 STF A 1 2.696 3.495 6.843 1.00 0.07 H HETATM 1520 H7 STF A 1 1.413 2.527 4.989 1.00 0.08 H HETATM 1521 C13 STF A 1 1.814 2.825 2.267 1.00 0.37 C HETATM 1522 F16 STF A 1 1.722 3.736 1.232 1.00 -0.23 F HETATM 1523 F15 STF A 1 0.555 2.458 2.632 1.00 -0.23 F HETATM 1524 F14 STF A 1 2.463 1.705 1.809 1.00 -0.23 F HETATM 1525 H6 STF A 1 4.074 4.390 2.164 1.00 0.08 H HETATM 1526 H5 STF A 1 5.348 5.355 4.051 1.00 0.07 H HETATM 1527 H3 STF A 1 4.320 4.871 7.645 1.00 0.05 H HETATM 1528 H4 STF A 1 5.764 5.167 6.619 1.00 0.05 H HETATM 1529 H1 STF A 1 4.743 7.144 7.855 1.00 0.07 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1504 1505 1508 1512 1529 CONECT 1505 1504 1506 CONECT 1506 1505 1507 1510 CONECT 1507 1506 1508 CONECT 1508 1504 1507 1509 CONECT 1509 1508 CONECT 1510 1506 1511 CONECT 1511 1510 CONECT 1512 1504 1513 1527 1528 CONECT 1513 1512 1514 1518 CONECT 1514 1513 1515 1526 CONECT 1515 1514 1516 1525 CONECT 1516 1515 1517 1521 CONECT 1517 1516 1518 1520 CONECT 1518 1513 1517 1519 CONECT 1519 1518 CONECT 1520 1517 CONECT 1521 1516 1522 1523 1524 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1521 CONECT 1525 1515 CONECT 1526 1514 CONECT 1527 1512 CONECT 1528 1512 CONECT 1529 1504 MASTER 0 0 0 0 0 0 0 0 1528 1 30 8 END
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Structure:
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Related entries of code: 2exg
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2exg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
afadin
Ligand Name
STF
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd~50uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Angew.Chem.Int.Ed.Engl. v45 pp. 3790-5, 2006
Ligand Properties
Formula
C
1
1
H
8
F
3
NOS
2
Molecular Weight
291.313
Exact Mass
291.000
No. of atoms
26
No. of bonds
27
Polar Surface Area
93.53
LOGP Value
3.78 (
Computed with XLOGP3
)
2.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
FC(c1ccc(cc1)C[C@H]1SC(=NC1=O)S)(F)F
InChI String
InChI=1S/C11H8F3NOS2/c12-11(13,14)7-3-1-6(2-4-7)5-8-9(16)15-10(17)18-8/h1-4,8H,5H2,(H,15,16,17)/t8-/m1/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):
P55196
Entrez Gene ID
NCBI Entrez Gene ID:
4301
ASD
Information of known allosteric effects of PDB entries
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