Browse entries in the PDBbind-CN Database
HEADER 2AXI_COMPLEX COMPND 2AXI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 92 GLU GLN GLU THR LEU VAL ARG PRO LYS PRO LEU LEU LEU SEQRES 2 A 92 LYS LEU LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR SEQRES 3 A 92 THR MET LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE SEQRES 4 A 92 MET THR LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE SEQRES 5 A 92 VAL TYR CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY SEQRES 6 A 92 VAL PRO SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR SEQRES 7 A 92 THR MET ILE TYR ARG ASN LEU VAL VAL VAL ASN GLN GLN SEQRES 8 A 92 GLU HET NON A 189 28 ATOM 1 N GLU A 23 18.272 11.146 -5.992 1.00 55.00 N ATOM 2 CA GLU A 23 19.564 11.538 -5.450 1.00 45.62 C ATOM 3 C GLU A 23 19.361 12.224 -4.110 1.00 40.02 C ATOM 4 O GLU A 23 20.239 12.895 -3.597 1.00 35.08 O ATOM 5 CB GLU A 23 20.288 12.468 -6.427 1.00 46.64 C ATOM 6 CG GLU A 23 19.344 13.210 -7.354 1.00 49.42 C ATOM 7 CD GLU A 23 19.995 13.760 -8.606 1.00 57.11 C ATOM 8 OE1 GLU A 23 21.245 13.768 -8.699 1.00 61.03 O ATOM 9 OE2 GLU A 23 19.238 14.211 -9.509 1.00 73.25 O ATOM 10 HA GLU A 23 20.181 10.651 -5.306 1.00 0.00 H ATOM 11 HB2 GLU A 23 20.857 13.199 -5.853 1.00 0.00 H ATOM 12 HB3 GLU A 23 20.971 11.872 -7.032 1.00 0.00 H ATOM 13 HG2 GLU A 23 18.553 12.523 -7.655 1.00 0.00 H ATOM 14 HG3 GLU A 23 18.910 14.043 -6.802 1.00 0.00 H ATOM 15 HN3 GLU A 23 17.680 11.992 -6.120 1.00 0.00 H ATOM 16 HN2 GLU A 23 17.805 10.491 -5.333 1.00 0.00 H ATOM 17 HN1 GLU A 23 18.410 10.676 -6.909 1.00 0.00 H ATOM 18 N GLN A 24 18.174 12.050 -3.544 1.00 34.23 N ATOM 19 CA GLN A 24 17.879 12.710 -2.273 1.00 28.83 C ATOM 20 C GLN A 24 18.286 11.848 -1.115 1.00 27.83 C ATOM 21 O GLN A 24 17.540 11.036 -0.564 1.00 29.48 O ATOM 22 CB GLN A 24 16.384 13.048 -2.308 1.00 34.65 C ATOM 23 CG GLN A 24 16.354 14.381 -3.087 1.00 38.18 C ATOM 24 CD GLN A 24 15.228 15.271 -2.570 1.00 38.36 C ATOM 25 OE1 GLN A 24 15.549 16.318 -1.981 1.00 35.58 O ATOM 26 NE2 GLN A 24 14.043 14.729 -2.895 1.00 29.88 N ATOM 27 HA GLN A 24 18.451 13.628 -2.136 1.00 0.00 H ATOM 28 HB2 GLN A 24 15.818 12.275 -2.829 1.00 0.00 H ATOM 29 HB3 GLN A 24 15.985 13.172 -1.301 1.00 0.00 H ATOM 30 HG2 GLN A 24 17.307 14.895 -2.958 1.00 0.00 H ATOM 31 HG3 GLN A 24 16.193 14.176 -4.145 1.00 0.00 H ATOM 32 HE22 GLN A 24 14.008 13.821 -3.401 1.00 0.00 H ATOM 33 HE21 GLN A 24 13.161 15.217 -2.641 1.00 0.00 H ATOM 34 H GLN A 24 17.459 11.449 -4.001 1.00 0.00 H ATOM 35 N GLU A 25 19.559 12.022 -0.748 1.00 27.96 N ATOM 36 CA GLU A 25 20.223 11.035 0.080 1.00 33.50 C ATOM 37 C GLU A 25 20.304 11.535 1.521 1.00 26.60 C ATOM 38 O GLU A 25 20.843 10.785 2.310 1.00 28.39 O ATOM 39 CB GLU A 25 21.621 10.687 -0.431 1.00 38.95 C ATOM 40 CG GLU A 25 22.656 11.786 -0.207 1.00 50.00 C ATOM 41 CD GLU A 25 24.053 11.311 -0.554 1.00 50.80 C ATOM 42 OE1 GLU A 25 24.142 10.121 -0.917 1.00 68.40 O ATOM 43 OE2 GLU A 25 25.051 12.080 -0.487 1.00 47.00 O ATOM 44 HA GLU A 25 19.628 10.123 0.036 1.00 0.00 H ATOM 45 HB2 GLU A 25 21.960 9.787 0.083 1.00 0.00 H ATOM 46 HB3 GLU A 25 21.556 10.490 -1.501 1.00 0.00 H ATOM 47 HG2 GLU A 25 22.406 12.642 -0.834 1.00 0.00 H ATOM 48 HG3 GLU A 25 22.633 12.086 0.841 1.00 0.00 H ATOM 49 H GLU A 25 20.076 12.870 -1.058 1.00 0.00 H ATOM 50 N THR A 26 19.760 12.729 1.807 1.00 25.34 N ATOM 51 CA THR A 26 19.719 13.245 3.154 1.00 23.24 C ATOM 52 C THR A 26 19.328 12.185 4.195 1.00 23.19 C ATOM 53 O THR A 26 18.267 11.593 4.044 1.00 28.21 O ATOM 54 CB THR A 26 18.731 14.441 3.198 1.00 23.46 C ATOM 55 OG1 THR A 26 18.964 15.319 2.061 1.00 26.18 O ATOM 56 CG2 THR A 26 18.932 15.201 4.488 1.00 26.14 C ATOM 57 HA THR A 26 20.726 13.568 3.419 1.00 0.00 H ATOM 58 HB THR A 26 17.707 14.071 3.149 1.00 0.00 H ATOM 59 HG1 THR A 26 18.330 16.079 2.097 1.00 0.00 H ATOM 60 HG23 THR A 26 18.755 14.535 5.332 1.00 0.00 H ATOM 61 HG21 THR A 26 19.953 15.579 4.530 1.00 0.00 H ATOM 62 HG22 THR A 26 18.232 16.036 4.529 1.00 0.00 H ATOM 63 H THR A 26 19.357 13.298 1.036 1.00 0.00 H ATOM 64 N LEU A 27 20.167 11.963 5.211 1.00 23.91 N ATOM 65 CA LEU A 27 19.881 10.940 6.231 1.00 26.08 C ATOM 66 C LEU A 27 19.036 11.597 7.297 1.00 25.73 C ATOM 67 O LEU A 27 19.351 12.707 7.744 1.00 26.13 O ATOM 68 CB LEU A 27 21.152 10.323 6.822 1.00 27.24 C ATOM 69 CG LEU A 27 21.930 9.366 5.927 1.00 29.73 C ATOM 70 CD1 LEU A 27 23.162 8.838 6.686 1.00 41.40 C ATOM 71 CD2 LEU A 27 21.063 8.215 5.443 1.00 31.43 C ATOM 72 HA LEU A 27 19.348 10.107 5.773 1.00 0.00 H ATOM 73 HB2 LEU A 27 21.821 11.140 7.092 1.00 0.00 H ATOM 74 HB3 LEU A 27 20.867 9.776 7.721 1.00 0.00 H ATOM 75 HG LEU A 27 22.256 9.914 5.043 1.00 0.00 H ATOM 76 HD21 LEU A 27 20.691 7.656 6.302 1.00 0.00 H ATOM 77 HD22 LEU A 27 20.222 8.610 4.873 1.00 0.00 H ATOM 78 HD23 LEU A 27 21.656 7.557 4.808 1.00 0.00 H ATOM 79 HD11 LEU A 27 23.801 9.675 6.965 1.00 0.00 H ATOM 80 HD12 LEU A 27 22.836 8.313 7.584 1.00 0.00 H ATOM 81 HD13 LEU A 27 23.717 8.154 6.044 1.00 0.00 H ATOM 82 H LEU A 27 21.040 12.524 5.283 1.00 0.00 H ATOM 83 N VAL A 28 17.908 10.946 7.619 1.00 23.75 N ATOM 84 CA VAL A 28 16.921 11.575 8.478 1.00 22.21 C ATOM 85 C VAL A 28 16.328 10.562 9.470 1.00 20.73 C ATOM 86 O VAL A 28 16.241 9.359 9.245 1.00 21.03 O ATOM 87 CB VAL A 28 15.774 12.205 7.672 1.00 23.15 C ATOM 88 CG1 VAL A 28 16.285 13.258 6.683 1.00 24.27 C ATOM 89 CG2 VAL A 28 14.975 11.125 6.935 1.00 22.13 C ATOM 90 HA VAL A 28 17.443 12.363 9.021 1.00 0.00 H ATOM 91 HB VAL A 28 15.117 12.708 8.381 1.00 0.00 H ATOM 92 HG11 VAL A 28 16.796 14.051 7.230 1.00 0.00 H ATOM 93 HG12 VAL A 28 16.979 12.792 5.984 1.00 0.00 H ATOM 94 HG13 VAL A 28 15.442 13.678 6.134 1.00 0.00 H ATOM 95 HG21 VAL A 28 15.634 10.590 6.252 1.00 0.00 H ATOM 96 HG22 VAL A 28 14.556 10.427 7.660 1.00 0.00 H ATOM 97 HG23 VAL A 28 14.168 11.593 6.371 1.00 0.00 H ATOM 98 H VAL A 28 17.740 9.988 7.252 1.00 0.00 H ATOM 99 N ARG A 29 15.905 11.139 10.579 1.00 21.42 N ATOM 100 CA ARG A 29 15.234 10.416 11.641 1.00 20.68 C ATOM 101 C ARG A 29 13.844 11.021 11.841 1.00 19.14 C ATOM 102 O ARG A 29 13.686 12.089 12.412 1.00 21.04 O ATOM 103 CB ARG A 29 16.042 10.432 12.940 1.00 25.68 C ATOM 104 CG ARG A 29 17.340 9.643 12.864 1.00 26.85 C ATOM 105 CD ARG A 29 18.123 9.658 14.162 1.00 33.62 C ATOM 106 NE ARG A 29 17.507 8.920 15.252 1.00 35.60 N ATOM 107 CZ ARG A 29 17.790 7.705 15.704 1.00 38.64 C ATOM 108 NH1 ARG A 29 18.744 6.936 15.192 1.00 43.93 N ATOM 109 NH2 ARG A 29 17.092 7.218 16.725 1.00 38.22 N ATOM 110 HA ARG A 29 15.139 9.369 11.355 1.00 0.00 H ATOM 111 HB2 ARG A 29 16.282 11.467 13.183 1.00 0.00 H ATOM 112 HB3 ARG A 29 15.427 10.007 13.733 1.00 0.00 H ATOM 113 HG2 ARG A 29 17.103 8.609 12.613 1.00 0.00 H ATOM 114 HG3 ARG A 29 17.962 10.073 12.079 1.00 0.00 H ATOM 115 HD2 ARG A 29 18.239 10.695 14.477 1.00 0.00 H ATOM 116 HD3 ARG A 29 19.105 9.225 13.971 1.00 0.00 H ATOM 117 HE ARG A 29 16.737 9.413 15.747 1.00 0.00 H ATOM 118 HH12 ARG A 29 18.920 5.991 15.589 1.00 0.00 H ATOM 119 HH11 ARG A 29 19.316 7.279 14.394 1.00 0.00 H ATOM 120 HH22 ARG A 29 17.301 6.267 17.091 1.00 0.00 H ATOM 121 HH21 ARG A 29 16.337 7.788 17.157 1.00 0.00 H ATOM 122 H ARG A 29 16.060 12.161 10.696 1.00 0.00 H ATOM 123 N PRO A 30 12.814 10.360 11.349 1.00 17.76 N ATOM 124 CA PRO A 30 11.460 10.877 11.535 1.00 17.78 C ATOM 125 C PRO A 30 11.069 11.058 12.992 1.00 17.43 C ATOM 126 O PRO A 30 11.434 10.268 13.863 1.00 18.92 O ATOM 127 CB PRO A 30 10.574 9.797 10.875 1.00 18.50 C ATOM 128 CG PRO A 30 11.509 9.323 9.782 1.00 19.01 C ATOM 129 CD PRO A 30 12.864 9.157 10.478 1.00 18.58 C ATOM 130 HA PRO A 30 11.358 11.873 11.104 1.00 0.00 H ATOM 131 HD3 PRO A 30 12.919 8.234 11.055 1.00 0.00 H ATOM 132 HD2 PRO A 30 13.695 9.194 9.774 1.00 0.00 H ATOM 133 HG3 PRO A 30 11.574 10.062 8.983 1.00 0.00 H ATOM 134 HG2 PRO A 30 11.169 8.373 9.369 1.00 0.00 H ATOM 135 HB2 PRO A 30 10.326 8.996 11.571 1.00 0.00 H ATOM 136 HB3 PRO A 30 9.656 10.220 10.467 1.00 0.00 H ATOM 137 N LYS A 31 10.321 12.127 13.207 1.00 17.90 N ATOM 138 CA LYS A 31 9.727 12.380 14.547 1.00 17.44 C ATOM 139 C LYS A 31 8.566 11.435 14.775 1.00 16.47 C ATOM 140 O LYS A 31 8.171 10.729 13.849 1.00 17.33 O ATOM 141 CB LYS A 31 9.353 13.850 14.631 1.00 19.94 C ATOM 142 CG LYS A 31 10.564 14.767 14.640 1.00 23.07 C ATOM 143 CD LYS A 31 10.055 16.217 14.738 1.00 25.69 C ATOM 144 CE LYS A 31 11.230 17.149 14.563 1.00 33.09 C ATOM 145 NZ LYS A 31 10.787 18.589 14.670 1.00 40.47 N ATOM 146 HA LYS A 31 10.436 12.180 15.350 1.00 0.00 H ATOM 147 HB2 LYS A 31 8.732 14.101 13.771 1.00 0.00 H ATOM 148 HB3 LYS A 31 8.786 14.013 15.547 1.00 0.00 H ATOM 149 HG2 LYS A 31 11.197 14.537 15.497 1.00 0.00 H ATOM 150 HG3 LYS A 31 11.136 14.636 13.721 1.00 0.00 H ATOM 151 HD2 LYS A 31 9.318 16.402 13.956 1.00 0.00 H ATOM 152 HD3 LYS A 31 9.597 16.381 15.713 1.00 0.00 H ATOM 153 HE2 LYS A 31 11.676 16.983 13.582 1.00 0.00 H ATOM 154 HE3 LYS A 31 11.969 16.943 15.337 1.00 0.00 H ATOM 155 HZ1 LYS A 31 10.084 18.790 13.931 1.00 0.00 H ATOM 156 HZ2 LYS A 31 10.364 18.752 15.606 1.00 0.00 H ATOM 157 HZ3 LYS A 31 11.609 19.214 14.547 1.00 0.00 H ATOM 158 H LYS A 31 10.146 12.798 12.431 1.00 0.00 H ATOM 159 N PRO A 32 7.992 11.363 15.964 1.00 18.57 N ATOM 160 CA PRO A 32 7.014 10.304 16.243 1.00 18.66 C ATOM 161 C PRO A 32 5.839 10.240 15.297 1.00 18.19 C ATOM 162 O PRO A 32 5.457 9.113 14.934 1.00 18.91 O ATOM 163 CB PRO A 32 6.565 10.599 17.684 1.00 19.43 C ATOM 164 CG PRO A 32 7.811 11.215 18.281 1.00 21.07 C ATOM 165 CD PRO A 32 8.304 12.127 17.191 1.00 20.84 C ATOM 166 HA PRO A 32 7.469 9.323 16.107 1.00 0.00 H ATOM 167 HD3 PRO A 32 7.776 13.080 17.206 1.00 0.00 H ATOM 168 HD2 PRO A 32 9.375 12.306 17.282 1.00 0.00 H ATOM 169 HG3 PRO A 32 8.551 10.450 18.515 1.00 0.00 H ATOM 170 HG2 PRO A 32 7.574 11.778 19.184 1.00 0.00 H ATOM 171 HB2 PRO A 32 5.729 11.298 17.704 1.00 0.00 H ATOM 172 HB3 PRO A 32 6.285 9.685 18.207 1.00 0.00 H ATOM 173 N LEU A 33 5.229 11.362 14.926 1.00 18.27 N ATOM 174 CA LEU A 33 4.084 11.314 14.029 1.00 18.27 C ATOM 175 C LEU A 33 4.454 10.705 12.676 1.00 17.30 C ATOM 176 O LEU A 33 3.770 9.782 12.205 1.00 18.47 O ATOM 177 CB LEU A 33 3.532 12.726 13.863 1.00 23.72 C ATOM 178 CG LEU A 33 2.245 12.827 13.050 1.00 29.40 C ATOM 179 CD1 LEU A 33 1.387 11.648 13.403 1.00 32.10 C ATOM 180 CD2 LEU A 33 1.482 14.115 13.336 1.00 42.09 C ATOM 181 HA LEU A 33 3.318 10.670 14.462 1.00 0.00 H ATOM 182 HB2 LEU A 33 3.337 13.131 14.856 1.00 0.00 H ATOM 183 HB3 LEU A 33 4.292 13.330 13.368 1.00 0.00 H ATOM 184 HG LEU A 33 2.499 12.835 11.990 1.00 0.00 H ATOM 185 HD21 LEU A 33 1.219 14.153 14.393 1.00 0.00 H ATOM 186 HD22 LEU A 33 2.109 14.971 13.085 1.00 0.00 H ATOM 187 HD23 LEU A 33 0.574 14.139 12.733 1.00 0.00 H ATOM 188 HD11 LEU A 33 1.918 10.728 13.159 1.00 0.00 H ATOM 189 HD12 LEU A 33 1.164 11.669 14.470 1.00 0.00 H ATOM 190 HD13 LEU A 33 0.458 11.694 12.835 1.00 0.00 H ATOM 191 H LEU A 33 5.572 12.278 15.279 1.00 0.00 H ATOM 192 N LEU A 34 5.498 11.260 12.073 1.00 16.73 N ATOM 193 CA LEU A 34 5.940 10.713 10.772 1.00 15.85 C ATOM 194 C LEU A 34 6.301 9.233 10.877 1.00 17.95 C ATOM 195 O LEU A 34 5.968 8.400 10.021 1.00 16.36 O ATOM 196 CB LEU A 34 7.086 11.553 10.230 1.00 17.16 C ATOM 197 CG LEU A 34 7.650 11.139 8.872 1.00 17.03 C ATOM 198 CD1 LEU A 34 6.581 10.945 7.806 1.00 17.99 C ATOM 199 CD2 LEU A 34 8.716 12.188 8.478 1.00 18.77 C ATOM 200 HA LEU A 34 5.113 10.769 10.064 1.00 0.00 H ATOM 201 HB2 LEU A 34 6.732 12.580 10.143 1.00 0.00 H ATOM 202 HB3 LEU A 34 7.900 11.511 10.954 1.00 0.00 H ATOM 203 HG LEU A 34 8.109 10.153 8.951 1.00 0.00 H ATOM 204 HD21 LEU A 34 8.250 13.172 8.416 1.00 0.00 H ATOM 205 HD22 LEU A 34 9.504 12.204 9.231 1.00 0.00 H ATOM 206 HD23 LEU A 34 9.143 11.925 7.510 1.00 0.00 H ATOM 207 HD11 LEU A 34 5.889 10.165 8.125 1.00 0.00 H ATOM 208 HD12 LEU A 34 6.038 11.879 7.664 1.00 0.00 H ATOM 209 HD13 LEU A 34 7.054 10.652 6.868 1.00 0.00 H ATOM 210 H LEU A 34 5.995 12.064 12.507 1.00 0.00 H ATOM 211 N LEU A 35 6.967 8.866 11.969 1.00 16.32 N ATOM 212 CA LEU A 35 7.322 7.458 12.139 1.00 18.12 C ATOM 213 C LEU A 35 6.067 6.603 12.176 1.00 20.01 C ATOM 214 O LEU A 35 6.056 5.481 11.675 1.00 19.91 O ATOM 215 CB LEU A 35 8.088 7.314 13.458 1.00 20.71 C ATOM 216 CG LEU A 35 9.589 7.094 13.335 1.00 20.92 C ATOM 217 CD1 LEU A 35 10.131 6.466 14.616 1.00 22.81 C ATOM 218 CD2 LEU A 35 9.933 6.238 12.127 1.00 25.70 C ATOM 219 HA LEU A 35 7.939 7.126 11.305 1.00 0.00 H ATOM 220 HB2 LEU A 35 7.930 8.224 14.037 1.00 0.00 H ATOM 221 HB3 LEU A 35 7.669 6.464 13.997 1.00 0.00 H ATOM 222 HG LEU A 35 10.062 8.065 13.188 1.00 0.00 H ATOM 223 HD21 LEU A 35 9.449 5.266 12.223 1.00 0.00 H ATOM 224 HD22 LEU A 35 9.582 6.732 11.221 1.00 0.00 H ATOM 225 HD23 LEU A 35 11.013 6.104 12.074 1.00 0.00 H ATOM 226 HD11 LEU A 35 9.933 7.131 15.457 1.00 0.00 H ATOM 227 HD12 LEU A 35 9.640 5.508 14.785 1.00 0.00 H ATOM 228 HD13 LEU A 35 11.206 6.313 14.518 1.00 0.00 H ATOM 229 H LEU A 35 7.230 9.569 12.689 1.00 0.00 H ATOM 230 N LYS A 36 5.001 7.081 12.819 1.00 18.49 N ATOM 231 CA LYS A 36 3.753 6.299 12.845 1.00 20.26 C ATOM 232 C LYS A 36 3.233 6.064 11.443 1.00 20.08 C ATOM 233 O LYS A 36 2.723 4.996 11.118 1.00 23.32 O ATOM 234 CB LYS A 36 2.644 6.978 13.665 1.00 26.76 C ATOM 235 CG LYS A 36 2.760 6.720 15.141 1.00 36.75 C ATOM 236 CD LYS A 36 2.982 5.253 15.469 1.00 44.00 C ATOM 237 CE LYS A 36 3.425 5.082 16.913 1.00 49.85 C ATOM 238 NZ LYS A 36 3.669 3.653 17.276 1.00 51.80 N ATOM 239 HA LYS A 36 4.005 5.351 13.321 1.00 0.00 H ATOM 240 HB2 LYS A 36 2.696 8.053 13.495 1.00 0.00 H ATOM 241 HB3 LYS A 36 1.680 6.603 13.322 1.00 0.00 H ATOM 242 HG2 LYS A 36 3.601 7.295 15.530 1.00 0.00 H ATOM 243 HG3 LYS A 36 1.841 7.050 15.625 1.00 0.00 H ATOM 244 HD2 LYS A 36 2.051 4.707 15.314 1.00 0.00 H ATOM 245 HD3 LYS A 36 3.751 4.852 14.809 1.00 0.00 H ATOM 246 HE2 LYS A 36 2.648 5.480 17.566 1.00 0.00 H ATOM 247 HE3 LYS A 36 4.347 5.643 17.064 1.00 0.00 H ATOM 248 HZ1 LYS A 36 2.793 3.109 17.144 1.00 0.00 H ATOM 249 HZ2 LYS A 36 4.415 3.264 16.665 1.00 0.00 H ATOM 250 HZ3 LYS A 36 3.968 3.595 18.270 1.00 0.00 H ATOM 251 H LYS A 36 5.051 8.002 13.300 1.00 0.00 H ATOM 252 N LEU A 37 3.295 7.066 10.588 1.00 19.28 N ATOM 253 CA LEU A 37 2.846 6.913 9.203 1.00 18.39 C ATOM 254 C LEU A 37 3.655 5.851 8.469 1.00 18.21 C ATOM 255 O LEU A 37 3.131 5.006 7.729 1.00 19.90 O ATOM 256 CB LEU A 37 2.929 8.248 8.449 1.00 19.88 C ATOM 257 CG LEU A 37 2.075 9.382 9.053 1.00 22.02 C ATOM 258 CD1 LEU A 37 2.403 10.695 8.338 1.00 26.34 C ATOM 259 CD2 LEU A 37 0.615 9.048 8.975 1.00 25.51 C ATOM 260 HA LEU A 37 1.805 6.590 9.234 1.00 0.00 H ATOM 261 HB2 LEU A 37 3.970 8.572 8.444 1.00 0.00 H ATOM 262 HB3 LEU A 37 2.597 8.081 7.424 1.00 0.00 H ATOM 263 HG LEU A 37 2.314 9.498 10.110 1.00 0.00 H ATOM 264 HD21 LEU A 37 0.330 8.910 7.932 1.00 0.00 H ATOM 265 HD22 LEU A 37 0.424 8.129 9.530 1.00 0.00 H ATOM 266 HD23 LEU A 37 0.034 9.863 9.407 1.00 0.00 H ATOM 267 HD11 LEU A 37 3.461 10.924 8.468 1.00 0.00 H ATOM 268 HD12 LEU A 37 2.180 10.594 7.276 1.00 0.00 H ATOM 269 HD13 LEU A 37 1.801 11.499 8.762 1.00 0.00 H ATOM 270 H LEU A 37 3.670 7.983 10.904 1.00 0.00 H ATOM 271 N LEU A 38 4.965 5.915 8.677 1.00 15.75 N ATOM 272 CA LEU A 38 5.841 4.975 7.981 1.00 17.11 C ATOM 273 C LEU A 38 5.523 3.546 8.425 1.00 17.12 C ATOM 274 O LEU A 38 5.571 2.611 7.611 1.00 17.08 O ATOM 275 CB LEU A 38 7.296 5.377 8.213 1.00 18.04 C ATOM 276 CG LEU A 38 7.701 6.772 7.685 1.00 21.36 C ATOM 277 CD1 LEU A 38 9.134 7.045 8.017 1.00 21.37 C ATOM 278 CD2 LEU A 38 7.474 6.888 6.200 1.00 24.69 C ATOM 279 HA LEU A 38 5.671 5.007 6.905 1.00 0.00 H ATOM 280 HB2 LEU A 38 7.481 5.359 9.287 1.00 0.00 H ATOM 281 HB3 LEU A 38 7.930 4.637 7.724 1.00 0.00 H ATOM 282 HG LEU A 38 7.071 7.516 8.173 1.00 0.00 H ATOM 283 HD21 LEU A 38 8.070 6.136 5.683 1.00 0.00 H ATOM 284 HD22 LEU A 38 6.418 6.729 5.982 1.00 0.00 H ATOM 285 HD23 LEU A 38 7.770 7.882 5.865 1.00 0.00 H ATOM 286 HD11 LEU A 38 9.267 7.016 9.098 1.00 0.00 H ATOM 287 HD12 LEU A 38 9.764 6.287 7.552 1.00 0.00 H ATOM 288 HD13 LEU A 38 9.411 8.030 7.641 1.00 0.00 H ATOM 289 H LEU A 38 5.362 6.624 9.326 1.00 0.00 H ATOM 290 N LYS A 39 5.198 3.370 9.710 1.00 17.76 N ATOM 291 CA LYS A 39 4.892 2.028 10.198 1.00 18.61 C ATOM 292 C LYS A 39 3.709 1.431 9.490 1.00 18.66 C ATOM 293 O LYS A 39 3.664 0.216 9.310 1.00 19.66 O ATOM 294 CB LYS A 39 4.656 2.071 11.719 1.00 24.21 C ATOM 295 CG LYS A 39 5.552 0.995 12.332 1.00 26.83 C ATOM 296 CD LYS A 39 6.975 1.543 12.435 1.00 30.45 C ATOM 297 CE LYS A 39 7.145 3.019 12.392 1.00 31.80 C ATOM 298 NZ LYS A 39 8.213 3.641 11.572 1.00 15.15 N ATOM 299 HA LYS A 39 5.747 1.386 9.985 1.00 0.00 H ATOM 300 HB2 LYS A 39 4.922 3.052 12.113 1.00 0.00 H ATOM 301 HB3 LYS A 39 3.610 1.862 11.943 1.00 0.00 H ATOM 302 HG2 LYS A 39 5.186 0.735 13.325 1.00 0.00 H ATOM 303 HG3 LYS A 39 5.545 0.107 11.699 1.00 0.00 H ATOM 304 HD2 LYS A 39 7.393 1.193 13.379 1.00 0.00 H ATOM 305 HD3 LYS A 39 7.548 1.124 11.608 1.00 0.00 H ATOM 306 HE2 LYS A 39 7.315 3.342 13.419 1.00 0.00 H ATOM 307 HE3 LYS A 39 6.201 3.430 12.035 1.00 0.00 H ATOM 308 HZ1 LYS A 39 9.140 3.299 11.896 1.00 0.00 H ATOM 309 HZ2 LYS A 39 8.076 3.383 10.574 1.00 0.00 H ATOM 310 HZ3 LYS A 39 8.168 4.675 11.674 1.00 0.00 H ATOM 311 H LYS A 39 5.163 4.183 10.357 1.00 0.00 H ATOM 312 N SER A 40 2.768 2.285 9.098 1.00 17.47 N ATOM 313 CA SER A 40 1.588 1.839 8.395 1.00 18.05 C ATOM 314 C SER A 40 1.920 1.101 7.118 1.00 16.99 C ATOM 315 O SER A 40 1.135 0.208 6.727 1.00 22.34 O ATOM 316 CB SER A 40 0.627 3.012 8.062 1.00 20.31 C ATOM 317 OG SER A 40 -0.042 3.430 9.246 1.00 26.00 O ATOM 318 HA SER A 40 1.089 1.151 9.078 1.00 0.00 H ATOM 319 HB2 SER A 40 -0.107 2.683 7.327 1.00 0.00 H ATOM 320 HB3 SER A 40 1.199 3.846 7.654 1.00 0.00 H ATOM 321 HG SER A 40 0.626 3.730 9.913 1.00 0.00 H ATOM 322 H SER A 40 2.885 3.298 9.303 1.00 0.00 H ATOM 323 N VAL A 41 3.045 1.424 6.491 1.00 15.70 N ATOM 324 CA VAL A 41 3.371 0.690 5.264 1.00 14.30 C ATOM 325 C VAL A 41 4.478 -0.318 5.453 1.00 14.79 C ATOM 326 O VAL A 41 4.979 -0.816 4.454 1.00 17.13 O ATOM 327 CB VAL A 41 3.664 1.665 4.114 1.00 14.63 C ATOM 328 CG1 VAL A 41 2.384 2.478 3.936 1.00 17.80 C ATOM 329 CG2 VAL A 41 4.886 2.519 4.393 1.00 16.53 C ATOM 330 HA VAL A 41 2.491 0.104 4.997 1.00 0.00 H ATOM 331 HB VAL A 41 3.917 1.144 3.191 1.00 0.00 H ATOM 332 HG11 VAL A 41 1.560 1.807 3.691 1.00 0.00 H ATOM 333 HG12 VAL A 41 2.160 3.008 4.862 1.00 0.00 H ATOM 334 HG13 VAL A 41 2.521 3.197 3.128 1.00 0.00 H ATOM 335 HG21 VAL A 41 4.722 3.100 5.300 1.00 0.00 H ATOM 336 HG22 VAL A 41 5.755 1.875 4.525 1.00 0.00 H ATOM 337 HG23 VAL A 41 5.056 3.193 3.554 1.00 0.00 H ATOM 338 H VAL A 41 3.671 2.169 6.856 1.00 0.00 H ATOM 339 N GLY A 42 4.817 -0.626 6.711 1.00 14.21 N ATOM 340 CA GLY A 42 5.765 -1.646 7.025 1.00 14.84 C ATOM 341 C GLY A 42 7.165 -1.239 7.393 1.00 16.42 C ATOM 342 O GLY A 42 8.018 -2.113 7.641 1.00 17.76 O ATOM 343 HA3 GLY A 42 5.838 -2.297 6.153 1.00 0.00 H ATOM 344 HA2 GLY A 42 5.363 -2.211 7.866 1.00 0.00 H ATOM 345 H GLY A 42 4.372 -0.101 7.491 1.00 0.00 H ATOM 346 N ALA A 43 7.387 0.070 7.387 1.00 15.62 N ATOM 347 CA ALA A 43 8.704 0.615 7.672 1.00 17.15 C ATOM 348 C ALA A 43 8.821 0.891 9.163 1.00 18.95 C ATOM 349 O ALA A 43 8.091 1.789 9.592 1.00 20.28 O ATOM 350 CB ALA A 43 8.949 1.861 6.842 1.00 19.80 C ATOM 351 HA ALA A 43 9.473 -0.108 7.399 1.00 0.00 H ATOM 352 HB1 ALA A 43 8.889 1.608 5.783 1.00 0.00 H ATOM 353 HB2 ALA A 43 8.194 2.610 7.081 1.00 0.00 H ATOM 354 HB3 ALA A 43 9.939 2.257 7.067 1.00 0.00 H ATOM 355 H ALA A 43 6.603 0.719 7.174 1.00 0.00 H ATOM 356 N GLN A 44 9.665 0.157 9.834 1.00 22.03 N ATOM 357 CA GLN A 44 9.780 0.258 11.291 1.00 24.53 C ATOM 358 C GLN A 44 11.159 0.696 11.760 1.00 25.32 C ATOM 359 O GLN A 44 11.322 0.721 12.984 1.00 33.80 O ATOM 360 CB GLN A 44 9.399 -1.077 11.978 1.00 27.04 C ATOM 361 CG GLN A 44 7.961 -1.484 11.607 1.00 30.47 C ATOM 362 CD GLN A 44 7.497 -2.651 12.456 1.00 30.90 C ATOM 363 OE1 GLN A 44 7.154 -3.698 11.908 1.00 39.92 O ATOM 364 NE2 GLN A 44 7.516 -2.468 13.775 1.00 45.76 N ATOM 365 HA GLN A 44 9.075 1.036 11.585 1.00 0.00 H ATOM 366 HB2 GLN A 44 10.088 -1.857 11.654 1.00 0.00 H ATOM 367 HB3 GLN A 44 9.471 -0.958 13.059 1.00 0.00 H ATOM 368 HG2 GLN A 44 7.296 -0.636 11.770 1.00 0.00 H ATOM 369 HG3 GLN A 44 7.930 -1.772 10.556 1.00 0.00 H ATOM 370 HE22 GLN A 44 7.818 -1.554 14.169 1.00 0.00 H ATOM 371 HE21 GLN A 44 7.229 -3.239 14.411 1.00 0.00 H ATOM 372 H GLN A 44 10.271 -0.516 9.322 1.00 0.00 H ATOM 373 N LYS A 45 12.061 1.004 10.843 1.00 26.96 N ATOM 374 CA LYS A 45 13.392 1.454 11.267 1.00 26.41 C ATOM 375 C LYS A 45 13.338 2.890 11.781 1.00 25.56 C ATOM 376 O LYS A 45 12.301 3.544 11.655 1.00 25.89 O ATOM 377 CB LYS A 45 14.399 1.253 10.128 1.00 27.30 C ATOM 378 CG LYS A 45 14.282 2.202 8.949 1.00 31.15 C ATOM 379 CD LYS A 45 15.262 1.742 7.853 1.00 34.18 C ATOM 380 CE LYS A 45 15.204 2.667 6.659 1.00 35.37 C ATOM 381 NZ LYS A 45 16.111 2.274 5.551 1.00 36.26 N ATOM 382 HA LYS A 45 13.736 0.847 12.105 1.00 0.00 H ATOM 383 HB2 LYS A 45 15.400 1.364 10.546 1.00 0.00 H ATOM 384 HB3 LYS A 45 14.275 0.238 9.751 1.00 0.00 H ATOM 385 HG2 LYS A 45 13.263 2.185 8.562 1.00 0.00 H ATOM 386 HG3 LYS A 45 14.532 3.215 9.265 1.00 0.00 H ATOM 387 HD2 LYS A 45 16.275 1.741 8.256 1.00 0.00 H ATOM 388 HD3 LYS A 45 14.997 0.733 7.537 1.00 0.00 H ATOM 389 HE2 LYS A 45 15.477 3.670 6.987 1.00 0.00 H ATOM 390 HE3 LYS A 45 14.182 2.676 6.280 1.00 0.00 H ATOM 391 HZ1 LYS A 45 17.093 2.272 5.893 1.00 0.00 H ATOM 392 HZ2 LYS A 45 15.857 1.322 5.217 1.00 0.00 H ATOM 393 HZ3 LYS A 45 16.016 2.954 4.769 1.00 0.00 H ATOM 394 H LYS A 45 11.829 0.928 9.832 1.00 0.00 H ATOM 395 N ASP A 46 14.426 3.379 12.387 1.00 25.03 N ATOM 396 CA ASP A 46 14.386 4.761 12.876 1.00 24.09 C ATOM 397 C ASP A 46 15.065 5.794 11.972 1.00 23.26 C ATOM 398 O ASP A 46 14.695 6.981 12.072 1.00 21.71 O ATOM 399 CB ASP A 46 15.055 4.808 14.254 1.00 28.62 C ATOM 400 CG ASP A 46 14.243 4.060 15.298 1.00 28.16 C ATOM 401 OD1 ASP A 46 13.000 4.162 15.303 1.00 29.24 O ATOM 402 OD2 ASP A 46 14.887 3.381 16.127 1.00 34.82 O ATOM 403 HA ASP A 46 13.332 5.037 12.905 1.00 0.00 H ATOM 404 HB2 ASP A 46 16.043 4.354 14.183 1.00 0.00 H ATOM 405 HB3 ASP A 46 15.156 5.848 14.563 1.00 0.00 H ATOM 406 H ASP A 46 15.278 2.794 12.508 1.00 0.00 H ATOM 407 N THR A 47 15.988 5.344 11.152 1.00 22.56 N ATOM 408 CA THR A 47 16.756 6.166 10.233 1.00 22.87 C ATOM 409 C THR A 47 16.543 5.732 8.786 1.00 22.07 C ATOM 410 O THR A 47 16.545 4.562 8.430 1.00 26.22 O ATOM 411 CB THR A 47 18.252 6.137 10.622 1.00 26.76 C ATOM 412 OG1 THR A 47 18.335 6.455 12.029 1.00 30.29 O ATOM 413 CG2 THR A 47 19.015 7.193 9.870 1.00 35.18 C ATOM 414 HA THR A 47 16.402 7.194 10.309 1.00 0.00 H ATOM 415 HB THR A 47 18.671 5.158 10.391 1.00 0.00 H ATOM 416 HG1 THR A 47 19.283 6.445 12.313 1.00 0.00 H ATOM 417 HG23 THR A 47 18.971 6.980 8.802 1.00 0.00 H ATOM 418 HG21 THR A 47 18.571 8.169 10.066 1.00 0.00 H ATOM 419 HG22 THR A 47 20.054 7.192 10.199 1.00 0.00 H ATOM 420 H THR A 47 16.183 4.323 11.162 1.00 0.00 H ATOM 421 N TYR A 48 16.307 6.769 7.963 1.00 21.75 N ATOM 422 CA TYR A 48 15.993 6.653 6.573 1.00 22.53 C ATOM 423 C TYR A 48 16.757 7.627 5.698 1.00 24.20 C ATOM 424 O TYR A 48 17.268 8.632 6.164 1.00 26.12 O ATOM 425 CB TYR A 48 14.496 7.018 6.317 1.00 20.25 C ATOM 426 CG TYR A 48 13.577 6.096 7.069 1.00 19.77 C ATOM 427 CD1 TYR A 48 13.318 6.264 8.430 1.00 18.24 C ATOM 428 CD2 TYR A 48 12.934 5.038 6.433 1.00 22.53 C ATOM 429 CE1 TYR A 48 12.484 5.435 9.142 1.00 18.42 C ATOM 430 CE2 TYR A 48 12.101 4.201 7.140 1.00 22.98 C ATOM 431 CZ TYR A 48 11.873 4.405 8.484 1.00 21.41 C ATOM 432 OH TYR A 48 11.045 3.558 9.193 1.00 22.12 O ATOM 433 HA TYR A 48 16.246 5.622 6.324 1.00 0.00 H ATOM 434 HB3 TYR A 48 14.287 6.937 5.250 1.00 0.00 H ATOM 435 HB2 TYR A 48 14.318 8.043 6.644 1.00 0.00 H ATOM 436 HD2 TYR A 48 13.091 4.871 5.367 1.00 0.00 H ATOM 437 HE2 TYR A 48 11.616 3.368 6.631 1.00 0.00 H ATOM 438 HE1 TYR A 48 12.314 5.596 10.207 1.00 0.00 H ATOM 439 HD1 TYR A 48 13.799 7.091 8.953 1.00 0.00 H ATOM 440 HH TYR A 48 11.000 3.856 10.136 1.00 0.00 H ATOM 441 H TYR A 48 16.357 7.726 8.367 1.00 0.00 H ATOM 442 N THR A 49 16.773 7.374 4.385 1.00 23.88 N ATOM 443 CA THR A 49 17.115 8.475 3.490 1.00 23.45 C ATOM 444 C THR A 49 15.849 9.283 3.203 1.00 20.01 C ATOM 445 O THR A 49 14.745 8.750 3.309 1.00 19.27 O ATOM 446 CB THR A 49 17.692 8.053 2.136 1.00 23.24 C ATOM 447 OG1 THR A 49 16.696 7.209 1.535 1.00 23.43 O ATOM 448 CG2 THR A 49 18.952 7.221 2.276 1.00 32.98 C ATOM 449 HA THR A 49 17.889 9.041 4.008 1.00 0.00 H ATOM 450 HB THR A 49 17.939 8.943 1.558 1.00 0.00 H ATOM 451 HG1 THR A 49 17.015 6.903 0.649 1.00 0.00 H ATOM 452 HG23 THR A 49 19.737 7.826 2.730 1.00 0.00 H ATOM 453 HG21 THR A 49 18.747 6.357 2.907 1.00 0.00 H ATOM 454 HG22 THR A 49 19.275 6.884 1.291 1.00 0.00 H ATOM 455 H THR A 49 16.550 6.428 4.015 1.00 0.00 H ATOM 456 N MET A 50 16.058 10.536 2.800 1.00 21.20 N ATOM 457 CA MET A 50 14.889 11.309 2.425 1.00 19.94 C ATOM 458 C MET A 50 14.119 10.610 1.312 1.00 18.64 C ATOM 459 O MET A 50 12.905 10.591 1.356 1.00 17.53 O ATOM 460 CB MET A 50 15.289 12.726 1.990 1.00 23.51 C ATOM 461 CG MET A 50 14.073 13.596 1.802 1.00 26.27 C ATOM 462 SD MET A 50 13.136 13.931 3.314 1.00 27.83 S ATOM 463 CE MET A 50 12.208 15.331 2.689 1.00 28.22 C ATOM 464 HA MET A 50 14.241 11.388 3.298 1.00 0.00 H ATOM 465 HB2 MET A 50 15.928 13.167 2.755 1.00 0.00 H ATOM 466 HB3 MET A 50 15.836 12.669 1.049 1.00 0.00 H ATOM 467 HG2 MET A 50 13.408 13.101 1.094 1.00 0.00 H ATOM 468 HG3 MET A 50 14.399 14.550 1.387 1.00 0.00 H ATOM 469 HE1 MET A 50 12.899 16.117 2.385 1.00 0.00 H ATOM 470 HE2 MET A 50 11.613 15.017 1.831 1.00 0.00 H ATOM 471 HE3 MET A 50 11.549 15.707 3.472 1.00 0.00 H ATOM 472 H MET A 50 17.015 10.941 2.756 1.00 0.00 H ATOM 473 N LYS A 51 14.851 10.062 0.355 1.00 18.20 N ATOM 474 CA LYS A 51 14.170 9.340 -0.726 1.00 16.53 C ATOM 475 C LYS A 51 13.213 8.265 -0.231 1.00 15.79 C ATOM 476 O LYS A 51 12.105 8.111 -0.717 1.00 16.14 O ATOM 477 CB LYS A 51 15.206 8.690 -1.662 1.00 21.13 C ATOM 478 CG LYS A 51 14.591 8.083 -2.909 1.00 27.32 C ATOM 479 CD LYS A 51 15.548 7.672 -3.991 1.00 38.59 C ATOM 480 CE LYS A 51 15.113 6.567 -4.901 1.00 42.56 C ATOM 481 NZ LYS A 51 14.111 6.656 -5.980 1.00 47.03 N ATOM 482 HA LYS A 51 13.576 10.084 -1.257 1.00 0.00 H ATOM 483 HB2 LYS A 51 15.924 9.452 -1.966 1.00 0.00 H ATOM 484 HB3 LYS A 51 15.723 7.903 -1.113 1.00 0.00 H ATOM 485 HG2 LYS A 51 14.031 7.198 -2.606 1.00 0.00 H ATOM 486 HG3 LYS A 51 13.906 8.817 -3.333 1.00 0.00 H ATOM 487 HD2 LYS A 51 15.743 8.549 -4.608 1.00 0.00 H ATOM 488 HD3 LYS A 51 16.473 7.356 -3.509 1.00 0.00 H ATOM 489 HE2 LYS A 51 14.746 5.783 -4.238 1.00 0.00 H ATOM 490 HE3 LYS A 51 16.026 6.228 -5.391 1.00 0.00 H ATOM 491 HZ1 LYS A 51 13.194 6.938 -5.578 1.00 0.00 H ATOM 492 HZ2 LYS A 51 14.417 7.363 -6.678 1.00 0.00 H ATOM 493 HZ3 LYS A 51 14.017 5.729 -6.442 1.00 0.00 H ATOM 494 H LYS A 51 15.888 10.141 0.369 1.00 0.00 H ATOM 495 N GLU A 52 13.700 7.483 0.745 1.00 16.61 N ATOM 496 CA GLU A 52 12.849 6.469 1.356 1.00 15.57 C ATOM 497 C GLU A 52 11.624 7.113 2.026 1.00 15.73 C ATOM 498 O GLU A 52 10.511 6.589 1.872 1.00 15.16 O ATOM 499 CB GLU A 52 13.584 5.614 2.400 1.00 16.66 C ATOM 500 CG GLU A 52 14.582 4.650 1.768 1.00 20.25 C ATOM 501 CD GLU A 52 15.468 3.983 2.795 1.00 26.03 C ATOM 502 OE1 GLU A 52 15.724 4.575 3.870 1.00 28.58 O ATOM 503 OE2 GLU A 52 15.948 2.852 2.550 1.00 28.80 O ATOM 504 HA GLU A 52 12.538 5.816 0.541 1.00 0.00 H ATOM 505 HB2 GLU A 52 14.120 6.276 3.080 1.00 0.00 H ATOM 506 HB3 GLU A 52 12.848 5.038 2.961 1.00 0.00 H ATOM 507 HG2 GLU A 52 14.031 3.880 1.227 1.00 0.00 H ATOM 508 HG3 GLU A 52 15.210 5.204 1.070 1.00 0.00 H ATOM 509 H GLU A 52 14.683 7.600 1.065 1.00 0.00 H ATOM 510 N VAL A 53 11.835 8.164 2.810 1.00 15.13 N ATOM 511 CA VAL A 53 10.654 8.752 3.457 1.00 14.92 C ATOM 512 C VAL A 53 9.634 9.189 2.428 1.00 13.64 C ATOM 513 O VAL A 53 8.423 8.975 2.536 1.00 16.38 O ATOM 514 CB VAL A 53 11.081 9.916 4.346 1.00 15.73 C ATOM 515 CG1 VAL A 53 9.865 10.656 4.897 1.00 18.00 C ATOM 516 CG2 VAL A 53 11.991 9.374 5.468 1.00 20.01 C ATOM 517 HA VAL A 53 10.178 7.995 4.081 1.00 0.00 H ATOM 518 HB VAL A 53 11.644 10.644 3.762 1.00 0.00 H ATOM 519 HG11 VAL A 53 9.273 11.046 4.069 1.00 0.00 H ATOM 520 HG12 VAL A 53 9.259 9.968 5.487 1.00 0.00 H ATOM 521 HG13 VAL A 53 10.198 11.481 5.527 1.00 0.00 H ATOM 522 HG21 VAL A 53 11.441 8.640 6.057 1.00 0.00 H ATOM 523 HG22 VAL A 53 12.869 8.903 5.026 1.00 0.00 H ATOM 524 HG23 VAL A 53 12.303 10.197 6.111 1.00 0.00 H ATOM 525 H VAL A 53 12.789 8.552 2.959 1.00 0.00 H ATOM 526 N LEU A 54 10.148 9.821 1.361 1.00 14.84 N ATOM 527 CA LEU A 54 9.209 10.317 0.352 1.00 14.62 C ATOM 528 C LEU A 54 8.466 9.167 -0.321 1.00 14.28 C ATOM 529 O LEU A 54 7.258 9.258 -0.543 1.00 15.05 O ATOM 530 CB LEU A 54 9.963 11.145 -0.678 1.00 17.19 C ATOM 531 CG LEU A 54 10.540 12.476 -0.142 1.00 19.79 C ATOM 532 CD1 LEU A 54 11.526 13.058 -1.146 1.00 23.24 C ATOM 533 CD2 LEU A 54 9.399 13.457 0.153 1.00 22.91 C ATOM 534 HA LEU A 54 8.465 10.945 0.843 1.00 0.00 H ATOM 535 HB2 LEU A 54 10.790 10.545 -1.057 1.00 0.00 H ATOM 536 HB3 LEU A 54 9.279 11.376 -1.495 1.00 0.00 H ATOM 537 HG LEU A 54 11.077 12.292 0.788 1.00 0.00 H ATOM 538 HD21 LEU A 54 8.841 13.649 -0.763 1.00 0.00 H ATOM 539 HD22 LEU A 54 8.734 13.025 0.901 1.00 0.00 H ATOM 540 HD23 LEU A 54 9.814 14.392 0.530 1.00 0.00 H ATOM 541 HD11 LEU A 54 12.341 12.351 -1.305 1.00 0.00 H ATOM 542 HD12 LEU A 54 11.014 13.243 -2.091 1.00 0.00 H ATOM 543 HD13 LEU A 54 11.926 13.995 -0.759 1.00 0.00 H ATOM 544 H LEU A 54 11.174 9.953 1.255 1.00 0.00 H ATOM 545 N PHE A 55 9.245 8.111 -0.634 1.00 14.14 N ATOM 546 CA PHE A 55 8.591 6.982 -1.300 1.00 13.20 C ATOM 547 C PHE A 55 7.542 6.334 -0.411 1.00 13.38 C ATOM 548 O PHE A 55 6.421 6.037 -0.829 1.00 14.23 O ATOM 549 CB PHE A 55 9.684 5.983 -1.672 1.00 13.23 C ATOM 550 CG PHE A 55 9.142 4.737 -2.329 1.00 14.04 C ATOM 551 CD1 PHE A 55 8.825 4.768 -3.692 1.00 14.41 C ATOM 552 CD2 PHE A 55 9.014 3.585 -1.564 1.00 14.83 C ATOM 553 CE1 PHE A 55 8.362 3.613 -4.339 1.00 15.05 C ATOM 554 CE2 PHE A 55 8.543 2.450 -2.228 1.00 16.29 C ATOM 555 CZ PHE A 55 8.256 2.459 -3.584 1.00 16.49 C ATOM 556 HA PHE A 55 8.064 7.328 -2.189 1.00 0.00 H ATOM 557 HB2 PHE A 55 10.377 6.466 -2.360 1.00 0.00 H ATOM 558 HB3 PHE A 55 10.216 5.695 -0.765 1.00 0.00 H ATOM 559 HD2 PHE A 55 9.267 3.568 -0.504 1.00 0.00 H ATOM 560 HE2 PHE A 55 8.397 1.530 -1.663 1.00 0.00 H ATOM 561 HZ PHE A 55 7.939 1.535 -4.067 1.00 0.00 H ATOM 562 HE1 PHE A 55 8.096 3.624 -5.396 1.00 0.00 H ATOM 563 HD1 PHE A 55 8.939 5.695 -4.254 1.00 0.00 H ATOM 564 H PHE A 55 10.261 8.099 -0.413 1.00 0.00 H ATOM 565 N TYR A 56 7.901 6.081 0.852 1.00 12.88 N ATOM 566 CA TYR A 56 6.956 5.454 1.774 1.00 12.40 C ATOM 567 C TYR A 56 5.716 6.326 2.031 1.00 13.73 C ATOM 568 O TYR A 56 4.626 5.776 2.191 1.00 13.78 O ATOM 569 CB TYR A 56 7.583 5.144 3.118 1.00 13.80 C ATOM 570 CG TYR A 56 8.581 4.008 3.046 1.00 13.78 C ATOM 571 CD1 TYR A 56 9.828 4.100 3.646 1.00 17.80 C ATOM 572 CD2 TYR A 56 8.220 2.813 2.385 1.00 17.06 C ATOM 573 CE1 TYR A 56 10.751 3.057 3.601 1.00 19.78 C ATOM 574 CE2 TYR A 56 9.153 1.789 2.343 1.00 20.61 C ATOM 575 CZ TYR A 56 10.390 1.904 2.924 1.00 21.69 C ATOM 576 OH TYR A 56 11.273 0.850 2.857 1.00 27.92 O ATOM 577 HA TYR A 56 6.659 4.529 1.279 1.00 0.00 H ATOM 578 HB3 TYR A 56 6.793 4.871 3.818 1.00 0.00 H ATOM 579 HB2 TYR A 56 8.094 6.036 3.479 1.00 0.00 H ATOM 580 HD2 TYR A 56 7.239 2.700 1.923 1.00 0.00 H ATOM 581 HE2 TYR A 56 8.895 0.862 1.831 1.00 0.00 H ATOM 582 HE1 TYR A 56 11.725 3.146 4.083 1.00 0.00 H ATOM 583 HD1 TYR A 56 10.095 5.018 4.170 1.00 0.00 H ATOM 584 HH TYR A 56 12.112 1.094 3.322 1.00 0.00 H ATOM 585 H TYR A 56 8.856 6.331 1.179 1.00 0.00 H ATOM 586 N LEU A 57 5.892 7.639 2.073 1.00 13.68 N ATOM 587 CA LEU A 57 4.674 8.468 2.188 1.00 14.23 C ATOM 588 C LEU A 57 3.765 8.367 0.971 1.00 14.11 C ATOM 589 O LEU A 57 2.550 8.429 1.093 1.00 14.80 O ATOM 590 CB LEU A 57 5.102 9.905 2.420 1.00 16.32 C ATOM 591 CG LEU A 57 5.455 10.176 3.884 1.00 16.68 C ATOM 592 CD1 LEU A 57 5.881 11.648 3.982 1.00 19.74 C ATOM 593 CD2 LEU A 57 4.304 9.887 4.826 1.00 16.96 C ATOM 594 HA LEU A 57 4.084 8.098 3.027 1.00 0.00 H ATOM 595 HB2 LEU A 57 5.976 10.115 1.804 1.00 0.00 H ATOM 596 HB3 LEU A 57 4.286 10.566 2.128 1.00 0.00 H ATOM 597 HG LEU A 57 6.260 9.509 4.190 1.00 0.00 H ATOM 598 HD21 LEU A 57 3.455 10.518 4.564 1.00 0.00 H ATOM 599 HD22 LEU A 57 4.019 8.838 4.739 1.00 0.00 H ATOM 600 HD23 LEU A 57 4.613 10.097 5.850 1.00 0.00 H ATOM 601 HD11 LEU A 57 6.745 11.818 3.340 1.00 0.00 H ATOM 602 HD12 LEU A 57 5.057 12.285 3.661 1.00 0.00 H ATOM 603 HD13 LEU A 57 6.142 11.882 5.014 1.00 0.00 H ATOM 604 H LEU A 57 6.840 8.065 2.027 1.00 0.00 H ATOM 605 N GLY A 58 4.346 8.247 -0.220 1.00 14.88 N ATOM 606 CA GLY A 58 3.534 8.009 -1.411 1.00 15.08 C ATOM 607 C GLY A 58 2.790 6.688 -1.272 1.00 14.38 C ATOM 608 O GLY A 58 1.601 6.633 -1.619 1.00 14.78 O ATOM 609 HA3 GLY A 58 4.180 7.970 -2.288 1.00 0.00 H ATOM 610 HA2 GLY A 58 2.814 8.820 -1.527 1.00 0.00 H ATOM 611 H GLY A 58 5.380 8.323 -0.303 1.00 0.00 H ATOM 612 N GLN A 59 3.480 5.647 -0.785 1.00 14.40 N ATOM 613 CA GLN A 59 2.793 4.361 -0.614 1.00 14.37 C ATOM 614 C GLN A 59 1.714 4.507 0.443 1.00 13.90 C ATOM 615 O GLN A 59 0.658 3.859 0.381 1.00 15.30 O ATOM 616 CB GLN A 59 3.764 3.278 -0.185 1.00 13.46 C ATOM 617 CG GLN A 59 4.833 2.992 -1.261 1.00 13.05 C ATOM 618 CD GLN A 59 5.606 1.755 -0.809 1.00 12.84 C ATOM 619 OE1 GLN A 59 6.126 1.778 0.316 1.00 14.14 O ATOM 620 NE2 GLN A 59 5.585 0.703 -1.654 1.00 13.03 N ATOM 621 HA GLN A 59 2.353 4.075 -1.569 1.00 0.00 H ATOM 622 HB2 GLN A 59 4.263 3.597 0.730 1.00 0.00 H ATOM 623 HB3 GLN A 59 3.206 2.362 0.007 1.00 0.00 H ATOM 624 HG2 GLN A 59 4.355 2.804 -2.222 1.00 0.00 H ATOM 625 HG3 GLN A 59 5.509 3.843 -1.353 1.00 0.00 H ATOM 626 HE22 GLN A 59 5.119 0.789 -2.580 1.00 0.00 H ATOM 627 HE21 GLN A 59 6.034 -0.194 -1.379 1.00 0.00 H ATOM 628 H GLN A 59 4.484 5.749 -0.533 1.00 0.00 H ATOM 629 N TYR A 60 1.964 5.306 1.476 1.00 14.67 N ATOM 630 CA TYR A 60 0.951 5.516 2.515 1.00 14.26 C ATOM 631 C TYR A 60 -0.335 6.049 1.914 1.00 13.92 C ATOM 632 O TYR A 60 -1.427 5.575 2.213 1.00 15.48 O ATOM 633 CB TYR A 60 1.517 6.487 3.587 1.00 14.67 C ATOM 634 CG TYR A 60 0.552 6.741 4.702 1.00 14.99 C ATOM 635 CD1 TYR A 60 0.577 5.917 5.832 1.00 15.94 C ATOM 636 CD2 TYR A 60 -0.386 7.777 4.668 1.00 15.33 C ATOM 637 CE1 TYR A 60 -0.334 6.162 6.868 1.00 16.72 C ATOM 638 CE2 TYR A 60 -1.290 8.018 5.667 1.00 16.56 C ATOM 639 CZ TYR A 60 -1.252 7.193 6.773 1.00 17.28 C ATOM 640 OH TYR A 60 -2.138 7.440 7.789 1.00 17.72 O ATOM 641 HA TYR A 60 0.714 4.563 2.989 1.00 0.00 H ATOM 642 HB3 TYR A 60 1.754 7.437 3.107 1.00 0.00 H ATOM 643 HB2 TYR A 60 2.427 6.055 4.004 1.00 0.00 H ATOM 644 HD2 TYR A 60 -0.398 8.430 3.796 1.00 0.00 H ATOM 645 HE2 TYR A 60 -2.013 8.831 5.592 1.00 0.00 H ATOM 646 HE1 TYR A 60 -0.319 5.534 7.758 1.00 0.00 H ATOM 647 HD1 TYR A 60 1.293 5.098 5.905 1.00 0.00 H ATOM 648 HH TYR A 60 -2.001 6.778 8.513 1.00 0.00 H ATOM 649 H TYR A 60 2.884 5.785 1.547 1.00 0.00 H ATOM 650 N ILE A 61 -0.204 7.103 1.102 1.00 14.01 N ATOM 651 CA ILE A 61 -1.375 7.722 0.470 1.00 13.59 C ATOM 652 C ILE A 61 -2.108 6.734 -0.421 1.00 15.22 C ATOM 653 O ILE A 61 -3.327 6.679 -0.466 1.00 16.88 O ATOM 654 CB ILE A 61 -0.944 8.988 -0.270 1.00 14.70 C ATOM 655 CG1 ILE A 61 -0.458 10.074 0.711 1.00 15.26 C ATOM 656 CG2 ILE A 61 -2.086 9.466 -1.160 1.00 17.90 C ATOM 657 CD1 ILE A 61 0.328 11.202 0.058 1.00 15.46 C ATOM 658 HA ILE A 61 -2.091 8.015 1.238 1.00 0.00 H ATOM 659 HB ILE A 61 -0.091 8.762 -0.910 1.00 0.00 H ATOM 660 HG12 ILE A 61 -1.330 10.505 1.203 1.00 0.00 H ATOM 661 HG13 ILE A 61 0.180 9.600 1.457 1.00 0.00 H ATOM 662 HD11 ILE A 61 1.213 10.792 -0.429 1.00 0.00 H ATOM 663 HD12 ILE A 61 -0.299 11.698 -0.683 1.00 0.00 H ATOM 664 HD13 ILE A 61 0.631 11.921 0.820 1.00 0.00 H ATOM 665 HG21 ILE A 61 -2.333 8.687 -1.882 1.00 0.00 H ATOM 666 HG22 ILE A 61 -2.959 9.682 -0.544 1.00 0.00 H ATOM 667 HG23 ILE A 61 -1.780 10.369 -1.688 1.00 0.00 H ATOM 668 H ILE A 61 0.743 7.490 0.915 1.00 0.00 H ATOM 669 N MET A 62 -1.308 5.922 -1.140 1.00 15.10 N ATOM 670 CA MET A 62 -1.898 4.881 -1.977 1.00 17.18 C ATOM 671 C MET A 62 -2.705 3.890 -1.152 1.00 16.01 C ATOM 672 O MET A 62 -3.832 3.537 -1.439 1.00 20.21 O ATOM 673 CB MET A 62 -0.789 4.088 -2.678 1.00 19.42 C ATOM 674 CG MET A 62 -1.235 2.727 -3.316 1.00 24.83 C ATOM 675 SD MET A 62 0.183 1.795 -3.920 1.00 26.04 S ATOM 676 CE MET A 62 0.977 1.305 -2.384 1.00 28.59 C ATOM 677 HA MET A 62 -2.549 5.379 -2.695 1.00 0.00 H ATOM 678 HB2 MET A 62 -0.378 4.713 -3.471 1.00 0.00 H ATOM 679 HB3 MET A 62 -0.011 3.877 -1.944 1.00 0.00 H ATOM 680 HG2 MET A 62 -1.909 2.928 -4.148 1.00 0.00 H ATOM 681 HG3 MET A 62 -1.756 2.135 -2.563 1.00 0.00 H ATOM 682 HE1 MET A 62 1.256 2.195 -1.820 1.00 0.00 H ATOM 683 HE2 MET A 62 0.285 0.703 -1.795 1.00 0.00 H ATOM 684 HE3 MET A 62 1.870 0.721 -2.608 1.00 0.00 H ATOM 685 H MET A 62 -0.275 6.036 -1.099 1.00 0.00 H ATOM 686 N THR A 63 -2.083 3.391 -0.080 1.00 15.63 N ATOM 687 CA THR A 63 -2.772 2.297 0.598 1.00 17.62 C ATOM 688 C THR A 63 -3.968 2.776 1.422 1.00 18.48 C ATOM 689 O THR A 63 -4.946 2.047 1.594 1.00 21.12 O ATOM 690 CB THR A 63 -1.847 1.631 1.637 1.00 22.88 C ATOM 691 OG1 THR A 63 -0.567 1.373 1.088 1.00 24.94 O ATOM 692 CG2 THR A 63 -2.457 0.284 2.027 1.00 27.34 C ATOM 693 HA THR A 63 -3.081 1.623 -0.201 1.00 0.00 H ATOM 694 HB THR A 63 -1.746 2.300 2.492 1.00 0.00 H ATOM 695 HG1 THR A 63 -0.156 2.225 0.797 1.00 0.00 H ATOM 696 HG23 THR A 63 -3.447 0.445 2.455 1.00 0.00 H ATOM 697 HG21 THR A 63 -2.541 -0.346 1.141 1.00 0.00 H ATOM 698 HG22 THR A 63 -1.817 -0.204 2.762 1.00 0.00 H ATOM 699 H THR A 63 -1.168 3.758 0.250 1.00 0.00 H ATOM 700 N LYS A 64 -3.880 3.976 1.953 1.00 17.94 N ATOM 701 CA LYS A 64 -4.994 4.589 2.698 1.00 17.49 C ATOM 702 C LYS A 64 -6.040 5.150 1.750 1.00 17.30 C ATOM 703 O LYS A 64 -7.101 5.571 2.187 1.00 20.01 O ATOM 704 CB LYS A 64 -4.447 5.651 3.653 1.00 19.93 C ATOM 705 CG LYS A 64 -3.549 5.056 4.733 1.00 25.62 C ATOM 706 CD LYS A 64 -4.325 4.612 5.937 1.00 31.93 C ATOM 707 CE LYS A 64 -3.353 4.148 7.024 1.00 31.91 C ATOM 708 NZ LYS A 64 -4.033 3.242 7.987 1.00 38.81 N ATOM 709 HA LYS A 64 -5.495 3.826 3.293 1.00 0.00 H ATOM 710 HB2 LYS A 64 -3.870 6.375 3.078 1.00 0.00 H ATOM 711 HB3 LYS A 64 -5.286 6.155 4.133 1.00 0.00 H ATOM 712 HG2 LYS A 64 -3.023 4.196 4.318 1.00 0.00 H ATOM 713 HG3 LYS A 64 -2.824 5.810 5.041 1.00 0.00 H ATOM 714 HD2 LYS A 64 -4.922 5.443 6.313 1.00 0.00 H ATOM 715 HD3 LYS A 64 -4.984 3.788 5.662 1.00 0.00 H ATOM 716 HE2 LYS A 64 -2.972 5.018 7.559 1.00 0.00 H ATOM 717 HE3 LYS A 64 -2.522 3.617 6.559 1.00 0.00 H ATOM 718 HZ1 LYS A 64 -4.824 3.746 8.436 1.00 0.00 H ATOM 719 HZ2 LYS A 64 -4.394 2.408 7.481 1.00 0.00 H ATOM 720 HZ3 LYS A 64 -3.355 2.940 8.715 1.00 0.00 H ATOM 721 H LYS A 64 -2.994 4.510 1.843 1.00 0.00 H ATOM 722 N ARG A 65 -5.792 5.156 0.444 1.00 17.28 N ATOM 723 CA ARG A 65 -6.763 5.622 -0.538 1.00 18.07 C ATOM 724 C ARG A 65 -7.208 7.056 -0.268 1.00 16.40 C ATOM 725 O ARG A 65 -8.380 7.453 -0.279 1.00 20.31 O ATOM 726 CB ARG A 65 -7.949 4.658 -0.653 1.00 19.96 C ATOM 727 CG ARG A 65 -7.447 3.254 -1.027 1.00 24.68 C ATOM 728 CD ARG A 65 -8.505 2.213 -1.284 1.00 31.42 C ATOM 729 NE ARG A 65 -7.918 0.916 -1.651 1.00 35.29 N ATOM 730 CZ ARG A 65 -8.595 -0.184 -1.939 1.00 36.41 C ATOM 731 NH1 ARG A 65 -9.927 -0.171 -1.904 1.00 42.38 N ATOM 732 NH2 ARG A 65 -7.973 -1.333 -2.268 1.00 39.93 N ATOM 733 HA ARG A 65 -6.264 5.633 -1.507 1.00 0.00 H ATOM 734 HB2 ARG A 65 -8.472 4.613 0.302 1.00 0.00 H ATOM 735 HB3 ARG A 65 -8.632 5.015 -1.424 1.00 0.00 H ATOM 736 HG2 ARG A 65 -6.845 3.346 -1.931 1.00 0.00 H ATOM 737 HG3 ARG A 65 -6.821 2.896 -0.210 1.00 0.00 H ATOM 738 HD2 ARG A 65 -9.145 2.554 -2.098 1.00 0.00 H ATOM 739 HD3 ARG A 65 -9.103 2.087 -0.381 1.00 0.00 H ATOM 740 HE ARG A 65 -6.880 0.858 -1.687 1.00 0.00 H ATOM 741 HH12 ARG A 65 -10.462 -1.034 -2.130 1.00 0.00 H ATOM 742 HH11 ARG A 65 -10.432 0.702 -1.651 1.00 0.00 H ATOM 743 HH22 ARG A 65 -8.532 -2.182 -2.489 1.00 0.00 H ATOM 744 HH21 ARG A 65 -6.934 -1.371 -2.300 1.00 0.00 H ATOM 745 H ARG A 65 -4.868 4.815 0.110 1.00 0.00 H ATOM 746 N LEU A 66 -6.171 7.903 -0.023 1.00 16.52 N ATOM 747 CA LEU A 66 -6.496 9.277 0.332 1.00 16.84 C ATOM 748 C LEU A 66 -6.516 10.176 -0.883 1.00 17.95 C ATOM 749 O LEU A 66 -6.889 11.330 -0.737 1.00 19.72 O ATOM 750 CB LEU A 66 -5.466 9.875 1.323 1.00 18.01 C ATOM 751 CG LEU A 66 -5.334 9.088 2.631 1.00 16.44 C ATOM 752 CD1 LEU A 66 -4.181 9.644 3.487 1.00 17.99 C ATOM 753 CD2 LEU A 66 -6.639 9.096 3.392 1.00 19.12 C ATOM 754 HA LEU A 66 -7.483 9.235 0.792 1.00 0.00 H ATOM 755 HB2 LEU A 66 -4.492 9.896 0.835 1.00 0.00 H ATOM 756 HB3 LEU A 66 -5.772 10.893 1.564 1.00 0.00 H ATOM 757 HG LEU A 66 -5.097 8.052 2.389 1.00 0.00 H ATOM 758 HD21 LEU A 66 -6.916 10.124 3.625 1.00 0.00 H ATOM 759 HD22 LEU A 66 -7.417 8.638 2.781 1.00 0.00 H ATOM 760 HD23 LEU A 66 -6.522 8.531 4.317 1.00 0.00 H ATOM 761 HD11 LEU A 66 -3.247 9.564 2.931 1.00 0.00 H ATOM 762 HD12 LEU A 66 -4.377 10.690 3.723 1.00 0.00 H ATOM 763 HD13 LEU A 66 -4.106 9.070 4.411 1.00 0.00 H ATOM 764 H LEU A 66 -5.184 7.581 -0.087 1.00 0.00 H ATOM 765 N TYR A 67 -6.105 9.682 -2.053 1.00 17.77 N ATOM 766 CA TYR A 67 -6.201 10.478 -3.282 1.00 18.70 C ATOM 767 C TYR A 67 -7.605 10.297 -3.856 1.00 19.94 C ATOM 768 O TYR A 67 -8.306 9.291 -3.696 1.00 20.75 O ATOM 769 CB TYR A 67 -5.071 10.124 -4.264 1.00 18.19 C ATOM 770 CG TYR A 67 -5.186 8.706 -4.785 1.00 20.41 C ATOM 771 CD1 TYR A 67 -5.841 8.458 -5.997 1.00 21.51 C ATOM 772 CD2 TYR A 67 -4.654 7.649 -4.079 1.00 19.55 C ATOM 773 CE1 TYR A 67 -5.938 7.150 -6.462 1.00 26.15 C ATOM 774 CE2 TYR A 67 -4.740 6.336 -4.518 1.00 22.87 C ATOM 775 CZ TYR A 67 -5.396 6.121 -5.719 1.00 27.04 C ATOM 776 OH TYR A 67 -5.499 4.847 -6.195 1.00 34.18 O ATOM 777 HA TYR A 67 -6.059 11.538 -3.072 1.00 0.00 H ATOM 778 HB3 TYR A 67 -4.115 10.234 -3.753 1.00 0.00 H ATOM 779 HB2 TYR A 67 -5.111 10.812 -5.108 1.00 0.00 H ATOM 780 HD2 TYR A 67 -4.145 7.853 -3.137 1.00 0.00 H ATOM 781 HE2 TYR A 67 -4.312 5.513 -3.946 1.00 0.00 H ATOM 782 HE1 TYR A 67 -6.439 6.940 -7.407 1.00 0.00 H ATOM 783 HD1 TYR A 67 -6.270 9.280 -6.570 1.00 0.00 H ATOM 784 HH TYR A 67 -5.990 4.856 -7.055 1.00 0.00 H ATOM 785 H TYR A 67 -5.712 8.720 -2.094 1.00 0.00 H ATOM 786 N ASP A 68 -8.037 11.303 -4.578 1.00 19.91 N ATOM 787 CA ASP A 68 -9.286 11.287 -5.341 1.00 20.70 C ATOM 788 C ASP A 68 -9.123 10.402 -6.577 1.00 22.77 C ATOM 789 O ASP A 68 -8.292 10.716 -7.422 1.00 25.18 O ATOM 790 CB ASP A 68 -9.667 12.708 -5.747 1.00 22.51 C ATOM 791 CG ASP A 68 -11.024 12.857 -6.412 1.00 30.52 C ATOM 792 OD1 ASP A 68 -11.620 11.865 -6.881 1.00 34.53 O ATOM 793 OD2 ASP A 68 -11.500 14.006 -6.499 1.00 41.78 O ATOM 794 HA ASP A 68 -10.084 10.879 -4.720 1.00 0.00 H ATOM 795 HB2 ASP A 68 -9.663 13.326 -4.849 1.00 0.00 H ATOM 796 HB3 ASP A 68 -8.911 13.073 -6.442 1.00 0.00 H ATOM 797 H ASP A 68 -7.456 12.165 -4.610 1.00 0.00 H ATOM 798 N GLU A 69 -9.932 9.353 -6.626 1.00 22.96 N ATOM 799 CA GLU A 69 -10.025 8.437 -7.726 1.00 28.93 C ATOM 800 C GLU A 69 -10.269 9.118 -9.063 1.00 27.56 C ATOM 801 O GLU A 69 -9.882 8.541 -10.080 1.00 31.33 O ATOM 802 CB GLU A 69 -11.144 7.417 -7.439 1.00 36.90 C ATOM 803 CG GLU A 69 -10.642 6.324 -6.481 1.00 42.83 C ATOM 804 CD GLU A 69 -11.691 5.224 -6.445 1.00 49.71 C ATOM 805 OE1 GLU A 69 -11.582 4.310 -5.600 1.00 61.30 O ATOM 806 OE2 GLU A 69 -12.620 5.324 -7.290 1.00 56.86 O ATOM 807 HA GLU A 69 -9.060 7.938 -7.812 1.00 0.00 H ATOM 808 HB2 GLU A 69 -11.991 7.931 -6.985 1.00 0.00 H ATOM 809 HB3 GLU A 69 -11.459 6.957 -8.375 1.00 0.00 H ATOM 810 HG2 GLU A 69 -9.694 5.922 -6.840 1.00 0.00 H ATOM 811 HG3 GLU A 69 -10.505 6.739 -5.483 1.00 0.00 H ATOM 812 H GLU A 69 -10.546 9.181 -5.804 1.00 0.00 H ATOM 813 N LYS A 70 -10.885 10.292 -9.089 1.00 26.62 N ATOM 814 CA LYS A 70 -11.122 10.972 -10.351 1.00 25.03 C ATOM 815 C LYS A 70 -10.194 12.138 -10.633 1.00 28.61 C ATOM 816 O LYS A 70 -10.140 12.623 -11.756 1.00 43.99 O ATOM 817 CB LYS A 70 -12.549 11.551 -10.364 1.00 28.89 C ATOM 818 CG LYS A 70 -13.596 10.444 -10.504 1.00 32.99 C ATOM 819 CD LYS A 70 -14.955 11.089 -10.778 1.00 37.80 C ATOM 820 CE LYS A 70 -15.989 10.489 -9.835 1.00 45.55 C ATOM 821 NZ LYS A 70 -17.256 10.090 -10.507 1.00 48.38 N ATOM 822 HA LYS A 70 -10.951 10.209 -11.111 1.00 0.00 H ATOM 823 HB2 LYS A 70 -12.723 12.089 -9.432 1.00 0.00 H ATOM 824 HB3 LYS A 70 -12.646 12.240 -11.203 1.00 0.00 H ATOM 825 HG2 LYS A 70 -13.328 9.787 -11.331 1.00 0.00 H ATOM 826 HG3 LYS A 70 -13.644 9.864 -9.582 1.00 0.00 H ATOM 827 HD2 LYS A 70 -14.889 12.164 -10.612 1.00 0.00 H ATOM 828 HD3 LYS A 70 -15.248 10.899 -11.811 1.00 0.00 H ATOM 829 HE2 LYS A 70 -16.224 11.227 -9.068 1.00 0.00 H ATOM 830 HE3 LYS A 70 -15.555 9.606 -9.366 1.00 0.00 H ATOM 831 HZ1 LYS A 70 -17.690 10.925 -10.950 1.00 0.00 H ATOM 832 HZ2 LYS A 70 -17.051 9.376 -11.235 1.00 0.00 H ATOM 833 HZ3 LYS A 70 -17.909 9.691 -9.803 1.00 0.00 H ATOM 834 H LYS A 70 -11.201 10.729 -8.200 1.00 0.00 H ATOM 835 N GLN A 71 -9.476 12.609 -9.626 1.00 23.54 N ATOM 836 CA GLN A 71 -8.491 13.675 -9.757 1.00 22.56 C ATOM 837 C GLN A 71 -7.333 13.342 -8.831 1.00 20.59 C ATOM 838 O GLN A 71 -7.240 13.801 -7.685 1.00 20.72 O ATOM 839 CB GLN A 71 -9.144 15.000 -9.423 1.00 23.78 C ATOM 840 CG GLN A 71 -8.324 16.263 -9.563 1.00 25.24 C ATOM 841 CD GLN A 71 -9.182 17.504 -9.350 1.00 27.18 C ATOM 842 OE1 GLN A 71 -10.136 17.382 -8.579 1.00 36.86 O ATOM 843 NE2 GLN A 71 -8.910 18.617 -10.001 1.00 37.84 N ATOM 844 HA GLN A 71 -8.109 13.759 -10.775 1.00 0.00 H ATOM 845 HB2 GLN A 71 -10.011 15.105 -10.075 1.00 0.00 H ATOM 846 HB3 GLN A 71 -9.475 14.944 -8.386 1.00 0.00 H ATOM 847 HG2 GLN A 71 -7.524 16.252 -8.822 1.00 0.00 H ATOM 848 HG3 GLN A 71 -7.891 16.297 -10.563 1.00 0.00 H ATOM 849 HE22 GLN A 71 -8.090 18.659 -10.639 1.00 0.00 H ATOM 850 HE21 GLN A 71 -9.516 19.453 -9.877 1.00 0.00 H ATOM 851 H GLN A 71 -9.624 12.193 -8.684 1.00 0.00 H ATOM 852 N GLN A 72 -6.466 12.474 -9.347 1.00 23.44 N ATOM 853 CA GLN A 72 -5.568 11.709 -8.473 1.00 21.23 C ATOM 854 C GLN A 72 -4.489 12.543 -7.842 1.00 21.74 C ATOM 855 O GLN A 72 -3.822 12.068 -6.904 1.00 21.06 O ATOM 856 CB GLN A 72 -4.942 10.510 -9.235 1.00 25.32 C ATOM 857 CG GLN A 72 -6.026 9.502 -9.652 1.00 29.04 C ATOM 858 CD GLN A 72 -6.355 9.764 -11.133 1.00 34.78 C ATOM 859 OE1 GLN A 72 -6.231 10.920 -11.572 1.00 39.91 O ATOM 860 NE2 GLN A 72 -6.748 8.770 -11.924 1.00 37.84 N ATOM 861 HA GLN A 72 -6.191 11.338 -7.659 1.00 0.00 H ATOM 862 HB2 GLN A 72 -4.434 10.878 -10.126 1.00 0.00 H ATOM 863 HB3 GLN A 72 -4.221 10.012 -8.587 1.00 0.00 H ATOM 864 HG2 GLN A 72 -5.656 8.484 -9.527 1.00 0.00 H ATOM 865 HG3 GLN A 72 -6.918 9.641 -9.042 1.00 0.00 H ATOM 866 HE22 GLN A 72 -6.847 7.808 -11.541 1.00 0.00 H ATOM 867 HE21 GLN A 72 -6.957 8.954 -12.926 1.00 0.00 H ATOM 868 H GLN A 72 -6.424 12.337 -10.377 1.00 0.00 H ATOM 869 N HIS A 73 -4.280 13.773 -8.300 1.00 20.85 N ATOM 870 CA HIS A 73 -3.282 14.590 -7.613 1.00 21.98 C ATOM 871 C HIS A 73 -3.834 15.254 -6.357 1.00 19.23 C ATOM 872 O HIS A 73 -3.071 15.911 -5.646 1.00 22.27 O ATOM 873 CB HIS A 73 -2.741 15.668 -8.527 1.00 25.58 C ATOM 874 CG HIS A 73 -3.707 16.674 -9.003 1.00 26.70 C ATOM 875 ND1 HIS A 73 -3.920 17.903 -8.384 1.00 28.77 N ATOM 876 CD2 HIS A 73 -4.528 16.637 -10.080 1.00 31.99 C ATOM 877 CE1 HIS A 73 -4.832 18.580 -9.051 1.00 30.66 C ATOM 878 NE2 HIS A 73 -5.226 17.835 -10.091 1.00 33.18 N ATOM 879 HA HIS A 73 -2.484 13.907 -7.323 1.00 0.00 H ATOM 880 HB2 HIS A 73 -1.953 16.194 -7.988 1.00 0.00 H ATOM 881 HB3 HIS A 73 -2.315 15.177 -9.402 1.00 0.00 H ATOM 882 HD2 HIS A 73 -4.622 15.823 -10.799 1.00 0.00 H ATOM 883 HE1 HIS A 73 -5.202 19.574 -8.800 1.00 0.00 H ATOM 884 H HIS A 73 -4.807 14.141 -9.117 1.00 0.00 H ATOM 885 N ILE A 74 -5.132 15.098 -6.136 1.00 18.02 N ATOM 886 CA ILE A 74 -5.709 15.682 -4.930 1.00 18.87 C ATOM 887 C ILE A 74 -5.722 14.708 -3.791 1.00 17.27 C ATOM 888 O ILE A 74 -6.303 13.618 -3.923 1.00 20.35 O ATOM 889 CB ILE A 74 -7.130 16.145 -5.212 1.00 21.76 C ATOM 890 CG1 ILE A 74 -7.130 17.153 -6.366 1.00 25.17 C ATOM 891 CG2 ILE A 74 -7.715 16.761 -3.979 1.00 26.11 C ATOM 892 CD1 ILE A 74 -6.359 18.427 -6.004 1.00 32.75 C ATOM 893 HA ILE A 74 -5.087 16.530 -4.643 1.00 0.00 H ATOM 894 HB ILE A 74 -7.739 15.288 -5.499 1.00 0.00 H ATOM 895 HG12 ILE A 74 -6.664 16.693 -7.237 1.00 0.00 H ATOM 896 HG13 ILE A 74 -8.160 17.418 -6.604 1.00 0.00 H ATOM 897 HD11 ILE A 74 -6.823 18.897 -5.137 1.00 0.00 H ATOM 898 HD12 ILE A 74 -5.326 18.171 -5.771 1.00 0.00 H ATOM 899 HD13 ILE A 74 -6.382 19.116 -6.848 1.00 0.00 H ATOM 900 HG21 ILE A 74 -7.728 16.023 -3.177 1.00 0.00 H ATOM 901 HG22 ILE A 74 -7.109 17.616 -3.679 1.00 0.00 H ATOM 902 HG23 ILE A 74 -8.733 17.091 -4.187 1.00 0.00 H ATOM 903 H ILE A 74 -5.726 14.571 -6.808 1.00 0.00 H ATOM 904 N VAL A 75 -5.103 15.081 -2.689 1.00 16.62 N ATOM 905 CA VAL A 75 -5.130 14.258 -1.488 1.00 17.29 C ATOM 906 C VAL A 75 -6.041 14.881 -0.442 1.00 17.64 C ATOM 907 O VAL A 75 -5.908 16.063 -0.134 1.00 19.45 O ATOM 908 CB VAL A 75 -3.711 14.129 -0.924 1.00 16.80 C ATOM 909 CG1 VAL A 75 -3.755 13.267 0.343 1.00 18.87 C ATOM 910 CG2 VAL A 75 -2.742 13.552 -1.938 1.00 18.11 C ATOM 911 HA VAL A 75 -5.513 13.270 -1.744 1.00 0.00 H ATOM 912 HB VAL A 75 -3.344 15.126 -0.680 1.00 0.00 H ATOM 913 HG11 VAL A 75 -4.403 13.740 1.081 1.00 0.00 H ATOM 914 HG12 VAL A 75 -4.144 12.279 0.096 1.00 0.00 H ATOM 915 HG13 VAL A 75 -2.749 13.171 0.750 1.00 0.00 H ATOM 916 HG21 VAL A 75 -3.080 12.560 -2.238 1.00 0.00 H ATOM 917 HG22 VAL A 75 -2.702 14.203 -2.812 1.00 0.00 H ATOM 918 HG23 VAL A 75 -1.750 13.480 -1.491 1.00 0.00 H ATOM 919 H VAL A 75 -4.584 15.982 -2.677 1.00 0.00 H ATOM 920 N TYR A 76 -6.964 14.070 0.058 1.00 17.64 N ATOM 921 CA TYR A 76 -7.894 14.541 1.083 1.00 19.78 C ATOM 922 C TYR A 76 -7.534 13.855 2.392 1.00 18.82 C ATOM 923 O TYR A 76 -7.824 12.672 2.556 1.00 20.48 O ATOM 924 CB TYR A 76 -9.317 14.170 0.675 1.00 22.45 C ATOM 925 CG TYR A 76 -9.786 14.687 -0.661 1.00 24.90 C ATOM 926 CD1 TYR A 76 -9.566 13.986 -1.851 1.00 26.18 C ATOM 927 CD2 TYR A 76 -10.468 15.895 -0.745 1.00 27.62 C ATOM 928 CE1 TYR A 76 -10.023 14.517 -3.027 1.00 28.80 C ATOM 929 CE2 TYR A 76 -10.918 16.410 -1.944 1.00 25.69 C ATOM 930 CZ TYR A 76 -10.698 15.711 -3.101 1.00 28.94 C ATOM 931 OH TYR A 76 -11.104 16.152 -4.339 1.00 31.54 O ATOM 932 HA TYR A 76 -7.831 15.623 1.198 1.00 0.00 H ATOM 933 HB3 TYR A 76 -9.993 14.558 1.437 1.00 0.00 H ATOM 934 HB2 TYR A 76 -9.383 13.082 0.652 1.00 0.00 H ATOM 935 HD2 TYR A 76 -10.655 16.457 0.170 1.00 0.00 H ATOM 936 HE2 TYR A 76 -11.444 17.364 -1.970 1.00 0.00 H ATOM 937 HE1 TYR A 76 -9.842 13.965 -3.950 1.00 0.00 H ATOM 938 HD1 TYR A 76 -9.039 13.032 -1.842 1.00 0.00 H ATOM 939 HH TYR A 76 -10.840 15.490 -5.027 1.00 0.00 H ATOM 940 H TYR A 76 -7.027 13.089 -0.283 1.00 0.00 H ATOM 941 N CYS A 77 -6.860 14.576 3.288 1.00 18.16 N ATOM 942 CA CYS A 77 -6.263 13.990 4.476 1.00 17.52 C ATOM 943 C CYS A 77 -6.884 14.453 5.775 1.00 16.67 C ATOM 944 O CYS A 77 -6.372 14.123 6.836 1.00 20.09 O ATOM 945 CB CYS A 77 -4.752 14.285 4.433 1.00 18.96 C ATOM 946 SG CYS A 77 -4.307 16.020 4.162 1.00 20.28 S ATOM 947 HA CYS A 77 -6.453 12.917 4.460 1.00 0.00 H ATOM 948 HB2 CYS A 77 -4.317 13.696 3.626 1.00 0.00 H ATOM 949 HB3 CYS A 77 -4.321 13.971 5.384 1.00 0.00 H ATOM 950 HG CYS A 77 -4.828 16.791 5.181 1.00 0.00 H ATOM 951 H CYS A 77 -6.757 15.599 3.130 1.00 0.00 H ATOM 952 N SER A 78 -7.999 15.202 5.701 1.00 20.90 N ATOM 953 CA SER A 78 -8.556 15.726 6.926 1.00 23.47 C ATOM 954 C SER A 78 -8.862 14.690 7.981 1.00 22.55 C ATOM 955 O SER A 78 -8.791 15.001 9.182 1.00 28.32 O ATOM 956 CB SER A 78 -9.852 16.499 6.544 1.00 27.15 C ATOM 957 OG SER A 78 -10.095 17.386 7.633 1.00 32.05 O ATOM 958 HA SER A 78 -7.803 16.367 7.384 1.00 0.00 H ATOM 959 HB2 SER A 78 -10.686 15.809 6.420 1.00 0.00 H ATOM 960 HB3 SER A 78 -9.705 17.059 5.620 1.00 0.00 H ATOM 961 HG SER A 78 -9.324 17.998 7.737 1.00 0.00 H ATOM 962 H SER A 78 -8.449 15.399 4.784 1.00 0.00 H ATOM 963 N ASN A 79 -9.232 13.477 7.582 1.00 21.64 N ATOM 964 CA ASN A 79 -9.683 12.459 8.523 1.00 22.97 C ATOM 965 C ASN A 79 -8.672 11.332 8.731 1.00 21.10 C ATOM 966 O ASN A 79 -9.011 10.236 9.151 1.00 24.05 O ATOM 967 CB ASN A 79 -11.002 11.818 8.057 1.00 26.50 C ATOM 968 CG ASN A 79 -12.136 12.815 7.941 1.00 32.53 C ATOM 969 OD1 ASN A 79 -12.755 12.950 6.865 1.00 43.41 O ATOM 970 ND2 ASN A 79 -12.434 13.492 9.022 1.00 42.40 N ATOM 971 HA ASN A 79 -9.815 12.988 9.467 1.00 0.00 H ATOM 972 HB2 ASN A 79 -10.840 11.360 7.081 1.00 0.00 H ATOM 973 HB3 ASN A 79 -11.287 11.049 8.775 1.00 0.00 H ATOM 974 HD22 ASN A 79 -11.888 13.344 9.895 1.00 0.00 H ATOM 975 HD21 ASN A 79 -13.216 14.177 9.007 1.00 0.00 H ATOM 976 H ASN A 79 -9.199 13.247 6.568 1.00 0.00 H ATOM 977 N ASP A 80 -7.438 11.691 8.432 1.00 18.06 N ATOM 978 CA ASP A 80 -6.333 10.782 8.536 1.00 16.25 C ATOM 979 C ASP A 80 -5.212 11.438 9.334 1.00 17.14 C ATOM 980 O ASP A 80 -5.100 12.649 9.355 1.00 18.65 O ATOM 981 CB ASP A 80 -5.817 10.408 7.138 1.00 15.77 C ATOM 982 CG ASP A 80 -4.881 9.229 7.133 1.00 15.95 C ATOM 983 OD1 ASP A 80 -5.350 8.050 7.026 1.00 19.46 O ATOM 984 OD2 ASP A 80 -3.651 9.517 7.263 1.00 17.16 O ATOM 985 HA ASP A 80 -6.665 9.876 9.043 1.00 0.00 H ATOM 986 HB2 ASP A 80 -6.673 10.170 6.507 1.00 0.00 H ATOM 987 HB3 ASP A 80 -5.290 11.268 6.724 1.00 0.00 H ATOM 988 H ASP A 80 -7.261 12.664 8.111 1.00 0.00 H ATOM 989 N LEU A 81 -4.378 10.599 9.959 1.00 17.76 N ATOM 990 CA LEU A 81 -3.206 11.134 10.633 1.00 17.53 C ATOM 991 C LEU A 81 -2.350 11.996 9.728 1.00 15.74 C ATOM 992 O LEU A 81 -1.635 12.927 10.142 1.00 19.81 O ATOM 993 CB LEU A 81 -2.274 10.016 11.123 1.00 21.30 C ATOM 994 CG LEU A 81 -2.774 9.188 12.301 1.00 23.95 C ATOM 995 CD1 LEU A 81 -1.683 8.231 12.742 1.00 26.37 C ATOM 996 CD2 LEU A 81 -3.194 10.148 13.395 1.00 25.68 C ATOM 997 HA LEU A 81 -3.613 11.720 11.458 1.00 0.00 H ATOM 998 HB2 LEU A 81 -2.102 9.337 10.288 1.00 0.00 H ATOM 999 HB3 LEU A 81 -1.330 10.475 11.416 1.00 0.00 H ATOM 1000 HG LEU A 81 -3.636 8.577 12.032 1.00 0.00 H ATOM 1001 HD21 LEU A 81 -2.338 10.754 13.693 1.00 0.00 H ATOM 1002 HD22 LEU A 81 -3.988 10.796 13.023 1.00 0.00 H ATOM 1003 HD23 LEU A 81 -3.557 9.583 14.253 1.00 0.00 H ATOM 1004 HD11 LEU A 81 -1.425 7.570 11.915 1.00 0.00 H ATOM 1005 HD12 LEU A 81 -0.803 8.799 13.043 1.00 0.00 H ATOM 1006 HD13 LEU A 81 -2.040 7.639 13.584 1.00 0.00 H ATOM 1007 H LEU A 81 -4.566 9.576 9.963 1.00 0.00 H ATOM 1008 N LEU A 82 -2.375 11.716 8.423 1.00 16.48 N ATOM 1009 CA LEU A 82 -1.564 12.536 7.513 1.00 16.49 C ATOM 1010 C LEU A 82 -1.927 14.011 7.582 1.00 16.73 C ATOM 1011 O LEU A 82 -1.083 14.903 7.435 1.00 19.03 O ATOM 1012 CB LEU A 82 -1.725 11.968 6.088 1.00 16.09 C ATOM 1013 CG LEU A 82 -0.880 12.728 5.056 1.00 16.61 C ATOM 1014 CD1 LEU A 82 0.607 12.494 5.289 1.00 22.70 C ATOM 1015 CD2 LEU A 82 -1.266 12.320 3.634 1.00 18.06 C ATOM 1016 HA LEU A 82 -0.518 12.485 7.816 1.00 0.00 H ATOM 1017 HB2 LEU A 82 -1.417 10.922 6.091 1.00 0.00 H ATOM 1018 HB3 LEU A 82 -2.774 12.036 5.800 1.00 0.00 H ATOM 1019 HG LEU A 82 -1.081 13.792 5.178 1.00 0.00 H ATOM 1020 HD21 LEU A 82 -1.100 11.250 3.507 1.00 0.00 H ATOM 1021 HD22 LEU A 82 -2.318 12.548 3.465 1.00 0.00 H ATOM 1022 HD23 LEU A 82 -0.654 12.872 2.920 1.00 0.00 H ATOM 1023 HD11 LEU A 82 0.876 12.842 6.286 1.00 0.00 H ATOM 1024 HD12 LEU A 82 0.824 11.429 5.203 1.00 0.00 H ATOM 1025 HD13 LEU A 82 1.181 13.044 4.544 1.00 0.00 H ATOM 1026 H LEU A 82 -2.956 10.934 8.058 1.00 0.00 H ATOM 1027 N GLY A 83 -3.221 14.259 7.821 1.00 18.45 N ATOM 1028 CA GLY A 83 -3.690 15.631 7.951 1.00 19.93 C ATOM 1029 C GLY A 83 -3.057 16.339 9.138 1.00 22.23 C ATOM 1030 O GLY A 83 -2.876 17.570 9.158 1.00 23.40 O ATOM 1031 HA3 GLY A 83 -4.772 15.622 8.082 1.00 0.00 H ATOM 1032 HA2 GLY A 83 -3.440 16.176 7.041 1.00 0.00 H ATOM 1033 H GLY A 83 -3.892 13.470 7.914 1.00 0.00 H ATOM 1034 N ASP A 84 -2.686 15.623 10.181 1.00 23.07 N ATOM 1035 CA ASP A 84 -2.001 16.258 11.317 1.00 23.69 C ATOM 1036 C ASP A 84 -0.581 16.658 10.899 1.00 23.46 C ATOM 1037 O ASP A 84 -0.104 17.678 11.358 1.00 30.99 O ATOM 1038 CB ASP A 84 -2.017 15.338 12.515 1.00 27.15 C ATOM 1039 CG ASP A 84 -3.340 15.248 13.234 1.00 35.68 C ATOM 1040 OD1 ASP A 84 -3.775 16.217 13.901 1.00 53.12 O ATOM 1041 OD2 ASP A 84 -4.002 14.185 13.139 1.00 39.64 O ATOM 1042 HA ASP A 84 -2.525 17.167 11.611 1.00 0.00 H ATOM 1043 HB2 ASP A 84 -1.747 14.338 12.177 1.00 0.00 H ATOM 1044 HB3 ASP A 84 -1.270 15.694 13.225 1.00 0.00 H ATOM 1045 H ASP A 84 -2.879 14.601 10.201 1.00 0.00 H ATOM 1046 N LEU A 85 0.060 15.853 10.040 1.00 24.75 N ATOM 1047 CA LEU A 85 1.406 16.172 9.552 1.00 25.27 C ATOM 1048 C LEU A 85 1.443 17.435 8.699 1.00 27.31 C ATOM 1049 O LEU A 85 2.297 18.340 8.848 1.00 30.30 O ATOM 1050 CB LEU A 85 1.947 14.947 8.796 1.00 28.09 C ATOM 1051 CG LEU A 85 3.413 14.983 8.340 1.00 32.86 C ATOM 1052 CD1 LEU A 85 4.327 14.308 9.345 1.00 37.38 C ATOM 1053 CD2 LEU A 85 3.592 14.308 6.983 1.00 34.30 C ATOM 1054 HA LEU A 85 2.049 16.392 10.404 1.00 0.00 H ATOM 1055 HB2 LEU A 85 1.830 14.082 9.449 1.00 0.00 H ATOM 1056 HB3 LEU A 85 1.332 14.815 7.906 1.00 0.00 H ATOM 1057 HG LEU A 85 3.684 16.036 8.259 1.00 0.00 H ATOM 1058 HD21 LEU A 85 3.276 13.267 7.052 1.00 0.00 H ATOM 1059 HD22 LEU A 85 2.985 14.824 6.239 1.00 0.00 H ATOM 1060 HD23 LEU A 85 4.642 14.352 6.692 1.00 0.00 H ATOM 1061 HD11 LEU A 85 4.252 14.820 10.304 1.00 0.00 H ATOM 1062 HD12 LEU A 85 4.028 13.266 9.464 1.00 0.00 H ATOM 1063 HD13 LEU A 85 5.355 14.354 8.987 1.00 0.00 H ATOM 1064 H LEU A 85 -0.407 14.983 9.712 1.00 0.00 H ATOM 1065 N PHE A 86 0.492 17.506 7.788 1.00 22.17 N ATOM 1066 CA PHE A 86 0.446 18.592 6.817 1.00 25.31 C ATOM 1067 C PHE A 86 -0.253 19.827 7.345 1.00 26.93 C ATOM 1068 O PHE A 86 0.009 20.915 6.796 1.00 31.53 O ATOM 1069 CB PHE A 86 -0.319 18.116 5.568 1.00 26.71 C ATOM 1070 CG PHE A 86 0.668 17.658 4.510 1.00 26.02 C ATOM 1071 CD1 PHE A 86 1.031 18.489 3.463 1.00 26.72 C ATOM 1072 CD2 PHE A 86 1.207 16.395 4.622 1.00 24.58 C ATOM 1073 CE1 PHE A 86 1.942 18.045 2.532 1.00 22.19 C ATOM 1074 CE2 PHE A 86 2.107 15.940 3.690 1.00 22.27 C ATOM 1075 CZ PHE A 86 2.458 16.772 2.645 1.00 22.16 C ATOM 1076 HA PHE A 86 1.478 18.858 6.590 1.00 0.00 H ATOM 1077 HB2 PHE A 86 -0.973 17.287 5.837 1.00 0.00 H ATOM 1078 HB3 PHE A 86 -0.918 18.937 5.174 1.00 0.00 H ATOM 1079 HD2 PHE A 86 0.918 15.754 5.455 1.00 0.00 H ATOM 1080 HE2 PHE A 86 2.536 14.941 3.773 1.00 0.00 H ATOM 1081 HZ PHE A 86 3.160 16.413 1.892 1.00 0.00 H ATOM 1082 HE1 PHE A 86 2.253 18.694 1.713 1.00 0.00 H ATOM 1083 HD1 PHE A 86 0.599 19.486 3.377 1.00 0.00 H ATOM 1084 H PHE A 86 -0.242 16.770 7.762 1.00 0.00 H ATOM 1085 N GLY A 87 -1.075 19.612 8.361 1.00 24.39 N ATOM 1086 CA GLY A 87 -1.811 20.760 8.923 1.00 26.73 C ATOM 1087 C GLY A 87 -2.903 21.342 8.050 1.00 25.91 C ATOM 1088 O GLY A 87 -3.386 22.460 8.244 1.00 26.16 O ATOM 1089 HA3 GLY A 87 -1.090 21.551 9.127 1.00 0.00 H ATOM 1090 HA2 GLY A 87 -2.268 20.437 9.858 1.00 0.00 H ATOM 1091 H GLY A 87 -1.199 18.657 8.753 1.00 0.00 H ATOM 1092 N VAL A 88 -3.329 20.589 7.035 1.00 24.03 N ATOM 1093 CA VAL A 88 -4.395 21.057 6.166 1.00 25.41 C ATOM 1094 C VAL A 88 -5.292 19.856 5.864 1.00 20.57 C ATOM 1095 O VAL A 88 -4.824 18.728 5.973 1.00 21.86 O ATOM 1096 CB VAL A 88 -3.955 21.643 4.817 1.00 25.15 C ATOM 1097 CG1 VAL A 88 -3.361 23.039 4.999 1.00 35.56 C ATOM 1098 CG2 VAL A 88 -2.997 20.670 4.120 1.00 31.08 C ATOM 1099 HA VAL A 88 -4.882 21.871 6.702 1.00 0.00 H ATOM 1100 HB VAL A 88 -4.823 21.766 4.169 1.00 0.00 H ATOM 1101 HG11 VAL A 88 -4.110 23.696 5.441 1.00 0.00 H ATOM 1102 HG12 VAL A 88 -2.494 22.981 5.657 1.00 0.00 H ATOM 1103 HG13 VAL A 88 -3.057 23.432 4.029 1.00 0.00 H ATOM 1104 HG21 VAL A 88 -2.121 20.511 4.749 1.00 0.00 H ATOM 1105 HG22 VAL A 88 -3.504 19.719 3.954 1.00 0.00 H ATOM 1106 HG23 VAL A 88 -2.687 21.090 3.163 1.00 0.00 H ATOM 1107 H VAL A 88 -2.895 19.660 6.864 1.00 0.00 H ATOM 1108 N PRO A 89 -6.546 20.092 5.533 1.00 21.62 N ATOM 1109 CA PRO A 89 -7.463 19.016 5.196 1.00 19.91 C ATOM 1110 C PRO A 89 -7.185 18.411 3.831 1.00 18.82 C ATOM 1111 O PRO A 89 -7.681 17.309 3.608 1.00 20.25 O ATOM 1112 CB PRO A 89 -8.852 19.678 5.153 1.00 22.85 C ATOM 1113 CG PRO A 89 -8.539 21.103 4.912 1.00 27.23 C ATOM 1114 CD PRO A 89 -7.219 21.401 5.551 1.00 24.79 C ATOM 1115 HA PRO A 89 -7.371 18.209 5.923 1.00 0.00 H ATOM 1116 HD3 PRO A 89 -6.660 22.138 4.974 1.00 0.00 H ATOM 1117 HD2 PRO A 89 -7.349 21.762 6.571 1.00 0.00 H ATOM 1118 HG3 PRO A 89 -9.313 21.732 5.352 1.00 0.00 H ATOM 1119 HG2 PRO A 89 -8.483 21.294 3.840 1.00 0.00 H ATOM 1120 HB2 PRO A 89 -9.456 19.268 4.344 1.00 0.00 H ATOM 1121 HB3 PRO A 89 -9.377 19.547 6.099 1.00 0.00 H ATOM 1122 N SER A 90 -6.450 19.106 2.964 1.00 19.71 N ATOM 1123 CA SER A 90 -6.300 18.610 1.598 1.00 19.27 C ATOM 1124 C SER A 90 -5.091 19.326 0.985 1.00 17.76 C ATOM 1125 O SER A 90 -4.691 20.403 1.450 1.00 21.78 O ATOM 1126 CB SER A 90 -7.549 18.869 0.724 1.00 20.72 C ATOM 1127 OG SER A 90 -7.627 20.264 0.448 1.00 25.73 O ATOM 1128 HA SER A 90 -6.165 17.529 1.631 1.00 0.00 H ATOM 1129 HB2 SER A 90 -8.444 18.549 1.257 1.00 0.00 H ATOM 1130 HB3 SER A 90 -7.466 18.313 -0.210 1.00 0.00 H ATOM 1131 HG SER A 90 -6.811 20.550 -0.035 1.00 0.00 H ATOM 1132 H SER A 90 -5.989 19.991 3.256 1.00 0.00 H ATOM 1133 N PHE A 91 -4.562 18.704 -0.058 1.00 17.40 N ATOM 1134 CA PHE A 91 -3.475 19.359 -0.766 1.00 17.11 C ATOM 1135 C PHE A 91 -3.301 18.659 -2.111 1.00 16.91 C ATOM 1136 O PHE A 91 -3.863 17.591 -2.296 1.00 18.28 O ATOM 1137 CB PHE A 91 -2.147 19.430 -0.010 1.00 18.53 C ATOM 1138 CG PHE A 91 -1.570 18.045 0.276 1.00 18.70 C ATOM 1139 CD1 PHE A 91 -0.612 17.512 -0.574 1.00 19.21 C ATOM 1140 CD2 PHE A 91 -1.999 17.308 1.384 1.00 19.31 C ATOM 1141 CE1 PHE A 91 -0.072 16.264 -0.388 1.00 19.15 C ATOM 1142 CE2 PHE A 91 -1.460 16.050 1.593 1.00 17.68 C ATOM 1143 CZ PHE A 91 -0.496 15.542 0.732 1.00 19.05 C ATOM 1144 HA PHE A 91 -3.759 20.404 -0.887 1.00 0.00 H ATOM 1145 HB2 PHE A 91 -1.431 19.992 -0.610 1.00 0.00 H ATOM 1146 HB3 PHE A 91 -2.309 19.945 0.937 1.00 0.00 H ATOM 1147 HD2 PHE A 91 -2.742 17.715 2.069 1.00 0.00 H ATOM 1148 HE2 PHE A 91 -1.795 15.453 2.441 1.00 0.00 H ATOM 1149 HZ PHE A 91 -0.062 14.563 0.933 1.00 0.00 H ATOM 1150 HE1 PHE A 91 0.658 15.852 -1.085 1.00 0.00 H ATOM 1151 HD1 PHE A 91 -0.275 18.107 -1.423 1.00 0.00 H ATOM 1152 H PHE A 91 -4.914 17.774 -0.361 1.00 0.00 H ATOM 1153 N SER A 92 -2.548 19.323 -2.987 1.00 18.22 N ATOM 1154 CA SER A 92 -2.268 18.714 -4.251 1.00 17.19 C ATOM 1155 C SER A 92 -0.846 18.164 -4.256 1.00 17.43 C ATOM 1156 O SER A 92 0.049 18.846 -3.744 1.00 18.12 O ATOM 1157 CB SER A 92 -2.445 19.687 -5.409 1.00 19.19 C ATOM 1158 OG SER A 92 -2.039 19.055 -6.618 1.00 18.70 O ATOM 1159 HA SER A 92 -2.983 17.903 -4.389 1.00 0.00 H ATOM 1160 HB2 SER A 92 -1.834 20.573 -5.238 1.00 0.00 H ATOM 1161 HB3 SER A 92 -3.493 19.979 -5.484 1.00 0.00 H ATOM 1162 HG SER A 92 -2.595 18.251 -6.771 1.00 0.00 H ATOM 1163 H SER A 92 -2.171 20.265 -2.757 1.00 0.00 H ATOM 1164 N VAL A 93 -0.652 17.036 -4.940 1.00 17.93 N ATOM 1165 CA VAL A 93 0.696 16.488 -5.092 1.00 18.16 C ATOM 1166 C VAL A 93 1.572 17.430 -5.901 1.00 17.76 C ATOM 1167 O VAL A 93 2.789 17.263 -5.846 1.00 19.46 O ATOM 1168 CB VAL A 93 0.750 15.066 -5.703 1.00 19.07 C ATOM 1169 CG1 VAL A 93 -0.147 14.143 -4.887 1.00 21.36 C ATOM 1170 CG2 VAL A 93 0.379 15.093 -7.184 1.00 24.76 C ATOM 1171 HA VAL A 93 1.079 16.394 -4.076 1.00 0.00 H ATOM 1172 HB VAL A 93 1.768 14.678 -5.656 1.00 0.00 H ATOM 1173 HG11 VAL A 93 0.205 14.115 -3.856 1.00 0.00 H ATOM 1174 HG12 VAL A 93 -1.171 14.517 -4.913 1.00 0.00 H ATOM 1175 HG13 VAL A 93 -0.115 13.139 -5.311 1.00 0.00 H ATOM 1176 HG21 VAL A 93 -0.632 15.485 -7.297 1.00 0.00 H ATOM 1177 HG22 VAL A 93 1.080 15.732 -7.721 1.00 0.00 H ATOM 1178 HG23 VAL A 93 0.425 14.081 -7.587 1.00 0.00 H ATOM 1179 H VAL A 93 -1.462 16.544 -5.367 1.00 0.00 H ATOM 1180 N LYS A 94 0.993 18.408 -6.578 1.00 18.66 N ATOM 1181 CA LYS A 94 1.751 19.408 -7.294 1.00 18.72 C ATOM 1182 C LYS A 94 2.458 20.403 -6.387 1.00 18.04 C ATOM 1183 O LYS A 94 3.353 21.136 -6.871 1.00 19.99 O ATOM 1184 CB LYS A 94 0.809 20.190 -8.271 1.00 20.06 C ATOM 1185 CG LYS A 94 0.339 19.276 -9.403 1.00 29.97 C ATOM 1186 CD LYS A 94 -0.794 19.911 -10.211 1.00 33.28 C ATOM 1187 CE LYS A 94 -0.296 20.721 -11.385 1.00 43.77 C ATOM 1188 NZ LYS A 94 -1.270 20.880 -12.502 1.00 55.28 N ATOM 1189 HA LYS A 94 2.524 18.869 -7.841 1.00 0.00 H ATOM 1190 HB2 LYS A 94 -0.058 20.555 -7.720 1.00 0.00 H ATOM 1191 HB3 LYS A 94 1.351 21.036 -8.693 1.00 0.00 H ATOM 1192 HG2 LYS A 94 1.179 19.077 -10.068 1.00 0.00 H ATOM 1193 HG3 LYS A 94 -0.015 18.338 -8.976 1.00 0.00 H ATOM 1194 HD2 LYS A 94 -1.442 19.118 -10.585 1.00 0.00 H ATOM 1195 HD3 LYS A 94 -1.366 20.566 -9.554 1.00 0.00 H ATOM 1196 HE2 LYS A 94 0.594 20.232 -11.780 1.00 0.00 H ATOM 1197 HE3 LYS A 94 -0.032 21.715 -11.023 1.00 0.00 H ATOM 1198 HZ1 LYS A 94 -1.525 19.943 -12.874 1.00 0.00 H ATOM 1199 HZ2 LYS A 94 -2.124 21.359 -12.151 1.00 0.00 H ATOM 1200 HZ3 LYS A 94 -0.838 21.449 -13.258 1.00 0.00 H ATOM 1201 H LYS A 94 -0.046 18.459 -6.595 1.00 0.00 H ATOM 1202 N GLU A 95 2.068 20.439 -5.126 1.00 17.51 N ATOM 1203 CA GLU A 95 2.650 21.387 -4.177 1.00 17.83 C ATOM 1204 C GLU A 95 3.960 20.889 -3.604 1.00 18.00 C ATOM 1205 O GLU A 95 4.066 20.582 -2.394 1.00 18.12 O ATOM 1206 CB GLU A 95 1.640 21.649 -3.036 1.00 18.07 C ATOM 1207 CG GLU A 95 0.357 22.303 -3.583 1.00 21.06 C ATOM 1208 CD GLU A 95 -0.631 22.577 -2.468 1.00 20.91 C ATOM 1209 OE1 GLU A 95 -1.704 21.930 -2.415 1.00 20.38 O ATOM 1210 OE2 GLU A 95 -0.345 23.440 -1.619 1.00 23.13 O ATOM 1211 HA GLU A 95 2.863 22.312 -4.712 1.00 0.00 H ATOM 1212 HB2 GLU A 95 1.384 20.702 -2.560 1.00 0.00 H ATOM 1213 HB3 GLU A 95 2.095 22.313 -2.301 1.00 0.00 H ATOM 1214 HG2 GLU A 95 0.616 23.243 -4.070 1.00 0.00 H ATOM 1215 HG3 GLU A 95 -0.102 21.634 -4.310 1.00 0.00 H ATOM 1216 H GLU A 95 1.332 19.780 -4.801 1.00 0.00 H ATOM 1217 N HIS A 96 4.970 20.767 -4.464 1.00 19.28 N ATOM 1218 CA HIS A 96 6.235 20.146 -4.074 1.00 18.53 C ATOM 1219 C HIS A 96 6.907 20.858 -2.905 1.00 19.52 C ATOM 1220 O HIS A 96 7.354 20.208 -1.946 1.00 19.42 O ATOM 1221 CB HIS A 96 7.175 20.104 -5.287 1.00 19.79 C ATOM 1222 CG HIS A 96 6.769 19.127 -6.352 1.00 23.26 C ATOM 1223 ND1 HIS A 96 5.616 18.379 -6.410 1.00 23.85 N ATOM 1224 CD2 HIS A 96 7.481 18.768 -7.452 1.00 31.21 C ATOM 1225 CE1 HIS A 96 5.605 17.616 -7.484 1.00 28.29 C ATOM 1226 NE2 HIS A 96 6.721 17.832 -8.133 1.00 36.88 N ATOM 1227 HA HIS A 96 6.015 19.134 -3.734 1.00 0.00 H ATOM 1228 HB2 HIS A 96 7.205 21.099 -5.730 1.00 0.00 H ATOM 1229 HB3 HIS A 96 8.171 19.833 -4.937 1.00 0.00 H ATOM 1230 HD2 HIS A 96 8.462 19.144 -7.743 1.00 0.00 H ATOM 1231 HE1 HIS A 96 4.811 16.930 -7.779 1.00 0.00 H ATOM 1232 H HIS A 96 4.856 21.122 -5.435 1.00 0.00 H ATOM 1233 N ARG A 97 6.977 22.185 -2.958 1.00 19.64 N ATOM 1234 CA ARG A 97 7.639 22.896 -1.862 1.00 19.37 C ATOM 1235 C ARG A 97 6.939 22.634 -0.531 1.00 19.56 C ATOM 1236 O ARG A 97 7.624 22.400 0.470 1.00 20.83 O ATOM 1237 CB ARG A 97 7.709 24.407 -2.111 1.00 22.34 C ATOM 1238 CG ARG A 97 8.441 25.126 -0.946 1.00 25.53 C ATOM 1239 CD ARG A 97 8.332 26.625 -1.170 1.00 41.82 C ATOM 1240 NE ARG A 97 9.563 27.352 -0.879 1.00 55.14 N ATOM 1241 CZ ARG A 97 9.863 28.322 -1.759 1.00 61.74 C ATOM 1242 NH1 ARG A 97 9.011 28.488 -2.781 1.00 72.59 N ATOM 1243 NH2 ARG A 97 10.922 29.112 -1.688 1.00 70.91 N ATOM 1244 HA ARG A 97 8.657 22.509 -1.816 1.00 0.00 H ATOM 1245 HB2 ARG A 97 8.248 24.591 -3.040 1.00 0.00 H ATOM 1246 HB3 ARG A 97 6.697 24.803 -2.195 1.00 0.00 H ATOM 1247 HG2 ARG A 97 7.976 24.860 0.003 1.00 0.00 H ATOM 1248 HG3 ARG A 97 9.490 24.830 -0.930 1.00 0.00 H ATOM 1249 HD2 ARG A 97 7.542 27.013 -0.526 1.00 0.00 H ATOM 1250 HD3 ARG A 97 8.067 26.799 -2.213 1.00 0.00 H ATOM 1251 HE ARG A 97 10.161 27.137 -0.056 1.00 0.00 H ATOM 1252 HH12 ARG A 97 9.191 29.223 -3.494 1.00 0.00 H ATOM 1253 HH11 ARG A 97 8.170 27.881 -2.861 1.00 0.00 H ATOM 1254 HH22 ARG A 97 11.078 29.839 -2.415 1.00 0.00 H ATOM 1255 HH21 ARG A 97 11.599 29.006 -0.905 1.00 0.00 H ATOM 1256 H ARG A 97 6.570 22.707 -3.761 1.00 0.00 H ATOM 1257 N LYS A 98 5.615 22.695 -0.527 1.00 20.32 N ATOM 1258 CA LYS A 98 4.881 22.434 0.712 1.00 19.85 C ATOM 1259 C LYS A 98 5.135 21.014 1.224 1.00 18.79 C ATOM 1260 O LYS A 98 5.306 20.847 2.448 1.00 21.46 O ATOM 1261 CB LYS A 98 3.378 22.619 0.500 1.00 24.94 C ATOM 1262 CG LYS A 98 2.585 22.402 1.785 1.00 31.03 C ATOM 1263 CD LYS A 98 1.541 23.488 1.932 1.00 34.51 C ATOM 1264 CE LYS A 98 0.846 23.288 3.280 1.00 37.31 C ATOM 1265 NZ LYS A 98 -0.451 24.017 3.334 1.00 39.80 N ATOM 1266 HA LYS A 98 5.240 23.149 1.452 1.00 0.00 H ATOM 1267 HB2 LYS A 98 3.196 23.632 0.141 1.00 0.00 H ATOM 1268 HB3 LYS A 98 3.038 21.903 -0.248 1.00 0.00 H ATOM 1269 HG2 LYS A 98 2.094 21.430 1.748 1.00 0.00 H ATOM 1270 HG3 LYS A 98 3.262 22.433 2.638 1.00 0.00 H ATOM 1271 HD2 LYS A 98 2.018 24.468 1.902 1.00 0.00 H ATOM 1272 HD3 LYS A 98 0.813 23.415 1.124 1.00 0.00 H ATOM 1273 HE2 LYS A 98 1.495 23.659 4.073 1.00 0.00 H ATOM 1274 HE3 LYS A 98 0.662 22.224 3.431 1.00 0.00 H ATOM 1275 HZ1 LYS A 98 -0.282 25.034 3.196 1.00 0.00 H ATOM 1276 HZ2 LYS A 98 -1.077 23.664 2.583 1.00 0.00 H ATOM 1277 HZ3 LYS A 98 -0.897 23.861 4.261 1.00 0.00 H ATOM 1278 H LYS A 98 5.100 22.927 -1.400 1.00 0.00 H ATOM 1279 N ILE A 99 5.139 20.053 0.296 1.00 18.32 N ATOM 1280 CA ILE A 99 5.323 18.648 0.698 1.00 18.48 C ATOM 1281 C ILE A 99 6.684 18.456 1.356 1.00 18.53 C ATOM 1282 O ILE A 99 6.750 17.946 2.469 1.00 19.51 O ATOM 1283 CB ILE A 99 5.105 17.725 -0.502 1.00 17.47 C ATOM 1284 CG1 ILE A 99 3.605 17.766 -0.884 1.00 19.41 C ATOM 1285 CG2 ILE A 99 5.569 16.312 -0.220 1.00 20.70 C ATOM 1286 CD1 ILE A 99 3.340 17.091 -2.204 1.00 21.62 C ATOM 1287 HA ILE A 99 4.576 18.380 1.445 1.00 0.00 H ATOM 1288 HB ILE A 99 5.707 18.076 -1.340 1.00 0.00 H ATOM 1289 HG12 ILE A 99 3.030 17.260 -0.108 1.00 0.00 H ATOM 1290 HG13 ILE A 99 3.287 18.806 -0.950 1.00 0.00 H ATOM 1291 HD11 ILE A 99 3.905 17.595 -2.988 1.00 0.00 H ATOM 1292 HD12 ILE A 99 3.648 16.047 -2.145 1.00 0.00 H ATOM 1293 HD13 ILE A 99 2.275 17.144 -2.431 1.00 0.00 H ATOM 1294 HG21 ILE A 99 6.633 16.321 0.016 1.00 0.00 H ATOM 1295 HG22 ILE A 99 5.012 15.910 0.626 1.00 0.00 H ATOM 1296 HG23 ILE A 99 5.395 15.692 -1.099 1.00 0.00 H ATOM 1297 H ILE A 99 5.013 20.296 -0.707 1.00 0.00 H ATOM 1298 N TYR A 100 7.711 18.940 0.681 1.00 18.79 N ATOM 1299 CA TYR A 100 9.046 18.828 1.241 1.00 19.24 C ATOM 1300 C TYR A 100 9.140 19.540 2.577 1.00 19.81 C ATOM 1301 O TYR A 100 9.764 18.973 3.484 1.00 23.05 O ATOM 1302 CB TYR A 100 10.098 19.426 0.287 1.00 19.38 C ATOM 1303 CG TYR A 100 10.508 18.395 -0.755 1.00 19.66 C ATOM 1304 CD1 TYR A 100 9.729 18.172 -1.870 1.00 23.99 C ATOM 1305 CD2 TYR A 100 11.659 17.654 -0.633 1.00 22.03 C ATOM 1306 CE1 TYR A 100 10.117 17.222 -2.814 1.00 24.25 C ATOM 1307 CE2 TYR A 100 12.063 16.708 -1.555 1.00 22.23 C ATOM 1308 CZ TYR A 100 11.275 16.481 -2.666 1.00 20.73 C ATOM 1309 OH TYR A 100 11.647 15.562 -3.618 1.00 22.90 O ATOM 1310 HA TYR A 100 9.245 17.766 1.382 1.00 0.00 H ATOM 1311 HB3 TYR A 100 10.975 19.727 0.860 1.00 0.00 H ATOM 1312 HB2 TYR A 100 9.676 20.297 -0.214 1.00 0.00 H ATOM 1313 HD2 TYR A 100 12.289 17.822 0.241 1.00 0.00 H ATOM 1314 HE2 TYR A 100 12.988 16.150 -1.408 1.00 0.00 H ATOM 1315 HE1 TYR A 100 9.491 17.059 -3.691 1.00 0.00 H ATOM 1316 HD1 TYR A 100 8.809 18.739 -2.014 1.00 0.00 H ATOM 1317 HH TYR A 100 10.964 15.536 -4.335 1.00 0.00 H ATOM 1318 H TYR A 100 7.565 19.397 -0.242 1.00 0.00 H ATOM 1319 N THR A 101 8.561 20.753 2.586 1.00 19.54 N ATOM 1320 CA THR A 101 8.669 21.530 3.811 1.00 22.70 C ATOM 1321 C THR A 101 8.055 20.810 5.001 1.00 23.94 C ATOM 1322 O THR A 101 8.673 20.726 6.070 1.00 28.24 O ATOM 1323 CB THR A 101 8.002 22.919 3.600 1.00 24.31 C ATOM 1324 OG1 THR A 101 8.770 23.563 2.585 1.00 30.42 O ATOM 1325 CG2 THR A 101 8.063 23.709 4.886 1.00 25.99 C ATOM 1326 HA THR A 101 9.727 21.664 4.038 1.00 0.00 H ATOM 1327 HB THR A 101 6.954 22.834 3.313 1.00 0.00 H ATOM 1328 HG1 THR A 101 8.743 23.020 1.758 1.00 0.00 H ATOM 1329 HG23 THR A 101 7.472 23.204 5.650 1.00 0.00 H ATOM 1330 HG21 THR A 101 9.099 23.783 5.217 1.00 0.00 H ATOM 1331 HG22 THR A 101 7.662 24.708 4.716 1.00 0.00 H ATOM 1332 H THR A 101 8.058 21.120 1.753 1.00 0.00 H ATOM 1333 N MET A 102 6.843 20.305 4.812 1.00 23.29 N ATOM 1334 CA MET A 102 6.110 19.684 5.915 1.00 24.57 C ATOM 1335 C MET A 102 6.814 18.405 6.330 1.00 22.93 C ATOM 1336 O MET A 102 6.873 18.048 7.537 1.00 22.87 O ATOM 1337 CB MET A 102 4.628 19.541 5.538 1.00 25.70 C ATOM 1338 CG MET A 102 3.902 20.876 5.309 1.00 26.19 C ATOM 1339 SD MET A 102 4.323 22.089 6.594 1.00 31.38 S ATOM 1340 CE MET A 102 3.246 21.500 7.911 1.00 31.13 C ATOM 1341 HA MET A 102 6.110 20.311 6.806 1.00 0.00 H ATOM 1342 HB2 MET A 102 4.564 18.955 4.621 1.00 0.00 H ATOM 1343 HB3 MET A 102 4.120 19.010 6.343 1.00 0.00 H ATOM 1344 HG2 MET A 102 2.826 20.702 5.324 1.00 0.00 H ATOM 1345 HG3 MET A 102 4.191 21.275 4.336 1.00 0.00 H ATOM 1346 HE1 MET A 102 2.209 21.541 7.577 1.00 0.00 H ATOM 1347 HE2 MET A 102 3.508 20.472 8.160 1.00 0.00 H ATOM 1348 HE3 MET A 102 3.371 22.132 8.790 1.00 0.00 H ATOM 1349 H MET A 102 6.409 20.351 3.868 1.00 0.00 H ATOM 1350 N ILE A 103 7.366 17.640 5.397 1.00 19.63 N ATOM 1351 CA ILE A 103 8.096 16.410 5.769 1.00 19.69 C ATOM 1352 C ILE A 103 9.352 16.785 6.517 1.00 20.30 C ATOM 1353 O ILE A 103 9.639 16.213 7.568 1.00 21.46 O ATOM 1354 CB ILE A 103 8.346 15.576 4.503 1.00 18.91 C ATOM 1355 CG1 ILE A 103 7.025 15.153 3.893 1.00 19.59 C ATOM 1356 CG2 ILE A 103 9.294 14.413 4.860 1.00 20.21 C ATOM 1357 CD1 ILE A 103 7.144 14.546 2.507 1.00 24.08 C ATOM 1358 HA ILE A 103 7.513 15.784 6.444 1.00 0.00 H ATOM 1359 HB ILE A 103 8.844 16.158 3.728 1.00 0.00 H ATOM 1360 HG12 ILE A 103 6.565 14.415 4.551 1.00 0.00 H ATOM 1361 HG13 ILE A 103 6.382 16.031 3.828 1.00 0.00 H ATOM 1362 HD11 ILE A 103 7.590 15.274 1.830 1.00 0.00 H ATOM 1363 HD12 ILE A 103 7.774 13.658 2.554 1.00 0.00 H ATOM 1364 HD13 ILE A 103 6.153 14.272 2.146 1.00 0.00 H ATOM 1365 HG21 ILE A 103 10.236 14.815 5.233 1.00 0.00 H ATOM 1366 HG22 ILE A 103 8.833 13.793 5.629 1.00 0.00 H ATOM 1367 HG23 ILE A 103 9.481 13.812 3.970 1.00 0.00 H ATOM 1368 H ILE A 103 7.284 17.908 4.395 1.00 0.00 H ATOM 1369 N TYR A 104 10.135 17.752 6.049 1.00 23.16 N ATOM 1370 CA TYR A 104 11.373 18.083 6.759 1.00 23.37 C ATOM 1371 C TYR A 104 11.098 18.574 8.163 1.00 27.13 C ATOM 1372 O TYR A 104 11.860 18.365 9.116 1.00 28.52 O ATOM 1373 CB TYR A 104 12.142 19.168 6.010 1.00 24.74 C ATOM 1374 CG TYR A 104 13.068 18.722 4.916 1.00 24.67 C ATOM 1375 CD1 TYR A 104 12.897 19.181 3.615 1.00 24.53 C ATOM 1376 CD2 TYR A 104 14.118 17.855 5.148 1.00 27.94 C ATOM 1377 CE1 TYR A 104 13.741 18.784 2.577 1.00 26.76 C ATOM 1378 CE2 TYR A 104 14.960 17.470 4.126 1.00 32.72 C ATOM 1379 CZ TYR A 104 14.787 17.925 2.835 1.00 29.32 C ATOM 1380 OH TYR A 104 15.656 17.501 1.855 1.00 30.42 O ATOM 1381 HA TYR A 104 11.964 17.169 6.812 1.00 0.00 H ATOM 1382 HB3 TYR A 104 12.738 19.713 6.742 1.00 0.00 H ATOM 1383 HB2 TYR A 104 11.410 19.842 5.566 1.00 0.00 H ATOM 1384 HD2 TYR A 104 14.284 17.469 6.154 1.00 0.00 H ATOM 1385 HE2 TYR A 104 15.783 16.789 4.344 1.00 0.00 H ATOM 1386 HE1 TYR A 104 13.573 19.152 1.565 1.00 0.00 H ATOM 1387 HD1 TYR A 104 12.081 19.870 3.400 1.00 0.00 H ATOM 1388 HH TYR A 104 15.402 17.912 0.991 1.00 0.00 H ATOM 1389 H TYR A 104 9.871 18.269 5.186 1.00 0.00 H ATOM 1390 N ARG A 105 9.943 19.242 8.327 1.00 23.92 N ATOM 1391 CA ARG A 105 9.733 19.788 9.680 1.00 28.52 C ATOM 1392 C ARG A 105 9.372 18.656 10.632 1.00 27.28 C ATOM 1393 O ARG A 105 9.343 18.886 11.848 1.00 30.03 O ATOM 1394 CB ARG A 105 8.685 20.882 9.605 1.00 28.87 C ATOM 1395 CG ARG A 105 9.215 22.176 8.961 1.00 31.26 C ATOM 1396 CD ARG A 105 8.146 23.249 8.936 1.00 32.56 C ATOM 1397 NE ARG A 105 8.680 24.455 8.247 1.00 27.12 N ATOM 1398 CZ ARG A 105 7.759 25.370 7.924 1.00 27.95 C ATOM 1399 NH1 ARG A 105 6.477 25.100 8.254 1.00 33.98 N ATOM 1400 NH2 ARG A 105 8.089 26.489 7.303 1.00 29.60 N ATOM 1401 HA ARG A 105 10.642 20.242 10.076 1.00 0.00 H ATOM 1402 HB2 ARG A 105 7.844 20.518 9.015 1.00 0.00 H ATOM 1403 HB3 ARG A 105 8.346 21.110 10.616 1.00 0.00 H ATOM 1404 HG2 ARG A 105 10.068 22.536 9.535 1.00 0.00 H ATOM 1405 HG3 ARG A 105 9.530 21.963 7.940 1.00 0.00 H ATOM 1406 HD2 ARG A 105 7.864 23.507 9.957 1.00 0.00 H ATOM 1407 HD3 ARG A 105 7.271 22.880 8.401 1.00 0.00 H ATOM 1408 HE ARG A 105 9.690 24.577 8.033 1.00 0.00 H ATOM 1409 HH12 ARG A 105 5.726 25.781 8.023 1.00 0.00 H ATOM 1410 HH11 ARG A 105 6.241 24.211 8.739 1.00 0.00 H ATOM 1411 HH22 ARG A 105 7.355 27.186 7.062 1.00 0.00 H ATOM 1412 HH21 ARG A 105 9.082 26.673 7.055 1.00 0.00 H ATOM 1413 H ARG A 105 9.252 19.364 7.560 1.00 0.00 H ATOM 1414 N ASN A 106 9.123 17.462 10.097 1.00 23.46 N ATOM 1415 CA ASN A 106 8.744 16.306 10.885 1.00 22.60 C ATOM 1416 C ASN A 106 9.851 15.267 10.959 1.00 20.42 C ATOM 1417 O ASN A 106 9.563 14.100 11.242 1.00 20.40 O ATOM 1418 CB ASN A 106 7.463 15.680 10.314 1.00 22.24 C ATOM 1419 CG ASN A 106 6.311 16.538 10.789 1.00 24.23 C ATOM 1420 OD1 ASN A 106 5.889 17.466 10.090 1.00 29.92 O ATOM 1421 ND2 ASN A 106 5.800 16.243 11.974 1.00 25.60 N ATOM 1422 HA ASN A 106 8.561 16.651 11.903 1.00 0.00 H ATOM 1423 HB2 ASN A 106 7.502 15.672 9.225 1.00 0.00 H ATOM 1424 HB3 ASN A 106 7.348 14.660 10.680 1.00 0.00 H ATOM 1425 HD22 ASN A 106 6.189 15.452 12.526 1.00 0.00 H ATOM 1426 HD21 ASN A 106 5.009 16.802 12.353 1.00 0.00 H ATOM 1427 H ASN A 106 9.204 17.354 9.066 1.00 0.00 H ATOM 1428 N LEU A 107 11.078 15.747 10.730 1.00 21.93 N ATOM 1429 CA LEU A 107 12.194 14.810 10.913 1.00 22.44 C ATOM 1430 C LEU A 107 13.402 15.597 11.427 1.00 25.15 C ATOM 1431 O LEU A 107 13.337 16.802 11.420 1.00 27.23 O ATOM 1432 CB LEU A 107 12.561 14.001 9.683 1.00 25.12 C ATOM 1433 CG LEU A 107 12.793 14.805 8.402 1.00 22.59 C ATOM 1434 CD1 LEU A 107 14.230 15.294 8.270 1.00 27.33 C ATOM 1435 CD2 LEU A 107 12.501 13.968 7.167 1.00 23.81 C ATOM 1436 HA LEU A 107 11.867 14.063 11.636 1.00 0.00 H ATOM 1437 HB2 LEU A 107 13.476 13.452 9.904 1.00 0.00 H ATOM 1438 HB3 LEU A 107 11.753 13.295 9.493 1.00 0.00 H ATOM 1439 HG LEU A 107 12.117 15.657 8.472 1.00 0.00 H ATOM 1440 HD21 LEU A 107 13.157 13.098 7.156 1.00 0.00 H ATOM 1441 HD22 LEU A 107 11.462 13.640 7.189 1.00 0.00 H ATOM 1442 HD23 LEU A 107 12.675 14.568 6.274 1.00 0.00 H ATOM 1443 HD11 LEU A 107 14.474 15.935 9.117 1.00 0.00 H ATOM 1444 HD12 LEU A 107 14.904 14.437 8.255 1.00 0.00 H ATOM 1445 HD13 LEU A 107 14.337 15.858 7.343 1.00 0.00 H ATOM 1446 H LEU A 107 11.234 16.733 10.437 1.00 0.00 H ATOM 1447 N VAL A 108 14.389 14.790 11.831 1.00 22.63 N ATOM 1448 CA VAL A 108 15.634 15.469 12.201 1.00 24.80 C ATOM 1449 C VAL A 108 16.668 14.979 11.188 1.00 23.24 C ATOM 1450 O VAL A 108 16.839 13.778 10.923 1.00 26.72 O ATOM 1451 CB VAL A 108 16.045 15.274 13.662 1.00 29.32 C ATOM 1452 CG1 VAL A 108 14.845 15.364 14.585 1.00 33.43 C ATOM 1453 CG2 VAL A 108 16.809 13.963 13.829 1.00 51.90 C ATOM 1454 HA VAL A 108 15.520 16.552 12.154 1.00 0.00 H ATOM 1455 HB VAL A 108 16.718 16.083 13.947 1.00 0.00 H ATOM 1456 HG11 VAL A 108 14.381 16.345 14.481 1.00 0.00 H ATOM 1457 HG12 VAL A 108 14.125 14.590 14.319 1.00 0.00 H ATOM 1458 HG13 VAL A 108 15.170 15.221 15.616 1.00 0.00 H ATOM 1459 HG21 VAL A 108 16.173 13.132 13.524 1.00 0.00 H ATOM 1460 HG22 VAL A 108 17.704 13.984 13.207 1.00 0.00 H ATOM 1461 HG23 VAL A 108 17.094 13.840 14.874 1.00 0.00 H ATOM 1462 H VAL A 108 14.281 13.757 11.879 1.00 0.00 H ATOM 1463 N VAL A 109 17.301 15.957 10.564 1.00 24.91 N ATOM 1464 CA VAL A 109 18.408 15.597 9.695 1.00 25.12 C ATOM 1465 C VAL A 109 19.609 15.172 10.556 1.00 27.63 C ATOM 1466 O VAL A 109 20.029 15.914 11.457 1.00 31.06 O ATOM 1467 CB VAL A 109 18.785 16.759 8.766 1.00 27.95 C ATOM 1468 CG1 VAL A 109 19.986 16.366 7.942 1.00 25.78 C ATOM 1469 CG2 VAL A 109 17.577 17.099 7.904 1.00 28.55 C ATOM 1470 HA VAL A 109 18.105 14.763 9.062 1.00 0.00 H ATOM 1471 HB VAL A 109 19.057 17.649 9.334 1.00 0.00 H ATOM 1472 HG11 VAL A 109 20.822 16.141 8.605 1.00 0.00 H ATOM 1473 HG12 VAL A 109 19.744 15.485 7.347 1.00 0.00 H ATOM 1474 HG13 VAL A 109 20.257 17.189 7.281 1.00 0.00 H ATOM 1475 HG21 VAL A 109 17.296 16.226 7.314 1.00 0.00 H ATOM 1476 HG22 VAL A 109 16.745 17.389 8.545 1.00 0.00 H ATOM 1477 HG23 VAL A 109 17.829 17.924 7.237 1.00 0.00 H ATOM 1478 H VAL A 109 17.017 16.949 10.691 1.00 0.00 H ATOM 1479 N VAL A 110 20.150 13.995 10.280 1.00 25.49 N ATOM 1480 CA VAL A 110 21.254 13.330 10.954 1.00 26.11 C ATOM 1481 C VAL A 110 22.524 14.157 10.844 1.00 27.47 C ATOM 1482 O VAL A 110 22.759 14.725 9.767 1.00 30.53 O ATOM 1483 CB VAL A 110 21.456 11.919 10.348 1.00 30.07 C ATOM 1484 CG1 VAL A 110 22.763 11.265 10.744 1.00 47.83 C ATOM 1485 CG2 VAL A 110 20.278 11.030 10.751 1.00 38.63 C ATOM 1486 HA VAL A 110 21.017 13.227 12.013 1.00 0.00 H ATOM 1487 HB VAL A 110 21.500 12.040 9.266 1.00 0.00 H ATOM 1488 HG11 VAL A 110 23.594 11.884 10.407 1.00 0.00 H ATOM 1489 HG12 VAL A 110 22.802 11.161 11.828 1.00 0.00 H ATOM 1490 HG13 VAL A 110 22.830 10.281 10.280 1.00 0.00 H ATOM 1491 HG21 VAL A 110 20.232 10.961 11.838 1.00 0.00 H ATOM 1492 HG22 VAL A 110 19.352 11.463 10.374 1.00 0.00 H ATOM 1493 HG23 VAL A 110 20.414 10.035 10.328 1.00 0.00 H ATOM 1494 H VAL A 110 19.732 13.480 9.479 1.00 0.00 H ATOM 1495 N ASN A 111 23.308 14.260 11.923 1.00 30.89 N ATOM 1496 CA ASN A 111 24.541 15.061 11.943 1.00 32.78 C ATOM 1497 C ASN A 111 25.552 14.452 10.976 1.00 35.07 C ATOM 1498 O ASN A 111 26.052 15.098 10.059 1.00 41.32 O ATOM 1499 CB ASN A 111 25.116 15.121 13.350 1.00 39.20 C ATOM 1500 CG ASN A 111 24.527 16.153 14.287 1.00 51.55 C ATOM 1501 OD1 ASN A 111 24.909 16.266 15.463 1.00 66.22 O ATOM 1502 ND2 ASN A 111 23.585 16.962 13.817 1.00 53.69 N ATOM 1503 HA ASN A 111 24.313 16.080 11.630 1.00 0.00 H ATOM 1504 HB2 ASN A 111 24.973 14.142 13.807 1.00 0.00 H ATOM 1505 HB3 ASN A 111 26.183 15.327 13.262 1.00 0.00 H ATOM 1506 HD22 ASN A 111 23.264 16.869 12.832 1.00 0.00 H ATOM 1507 HD21 ASN A 111 23.169 17.689 14.434 1.00 0.00 H ATOM 1508 H ASN A 111 23.033 13.750 12.787 1.00 0.00 H ATOM 1509 N GLN A 112 25.837 13.181 11.195 1.00 39.72 N ATOM 1510 CA GLN A 112 26.756 12.464 10.333 1.00 44.06 C ATOM 1511 C GLN A 112 25.991 11.884 9.141 1.00 43.90 C ATOM 1512 O GLN A 112 25.298 10.871 9.272 1.00 44.05 O ATOM 1513 CB GLN A 112 27.502 11.384 11.120 1.00 51.45 C ATOM 1514 CG GLN A 112 28.816 10.955 10.500 1.00 59.25 C ATOM 1515 CD GLN A 112 29.585 12.022 9.748 1.00 61.60 C ATOM 1516 OE1 GLN A 112 30.366 12.778 10.335 1.00 64.00 O ATOM 1517 NE2 GLN A 112 29.379 12.078 8.428 1.00 61.34 N ATOM 1518 HA GLN A 112 27.509 13.152 9.948 1.00 0.00 H ATOM 1519 HB2 GLN A 112 27.705 11.769 12.119 1.00 0.00 H ATOM 1520 HB3 GLN A 112 26.857 10.508 11.194 1.00 0.00 H ATOM 1521 HG2 GLN A 112 29.457 10.586 11.301 1.00 0.00 H ATOM 1522 HG3 GLN A 112 28.605 10.144 9.803 1.00 0.00 H ATOM 1523 HE22 GLN A 112 28.711 11.420 7.978 1.00 0.00 H ATOM 1524 HE21 GLN A 112 29.887 12.779 7.852 1.00 0.00 H ATOM 1525 H GLN A 112 25.396 12.688 11.997 1.00 0.00 H ATOM 1526 N GLN A 113 26.154 12.587 8.024 1.00 41.10 N ATOM 1527 CA GLN A 113 25.566 12.235 6.732 1.00 40.00 C ATOM 1528 C GLN A 113 26.397 11.165 6.064 1.00 47.56 C ATOM 1529 O GLN A 113 27.423 10.752 6.629 1.00 57.27 O ATOM 1530 CB GLN A 113 25.394 13.549 5.951 1.00 33.26 C ATOM 1531 CG GLN A 113 24.296 14.422 6.579 1.00 26.33 C ATOM 1532 CD GLN A 113 22.902 13.870 6.361 1.00 24.57 C ATOM 1533 OE1 GLN A 113 22.621 13.299 5.311 1.00 26.21 O ATOM 1534 NE2 GLN A 113 22.043 14.064 7.353 1.00 30.08 N ATOM 1535 HA GLN A 113 24.578 11.781 6.810 1.00 0.00 H ATOM 1536 HB2 GLN A 113 26.336 14.097 5.963 1.00 0.00 H ATOM 1537 HB3 GLN A 113 25.122 13.319 4.921 1.00 0.00 H ATOM 1538 HG2 GLN A 113 24.478 14.492 7.651 1.00 0.00 H ATOM 1539 HG3 GLN A 113 24.349 15.417 6.138 1.00 0.00 H ATOM 1540 HE22 GLN A 113 22.348 14.556 8.217 1.00 0.00 H ATOM 1541 HE21 GLN A 113 21.064 13.724 7.267 1.00 0.00 H ATOM 1542 H GLN A 113 26.739 13.445 8.072 1.00 0.00 H ATOM 1543 N GLU A 114 26.041 10.636 4.913 1.00 51.78 N ATOM 1544 CA GLU A 114 26.647 9.460 4.298 1.00 57.68 C ATOM 1545 C GLU A 114 26.189 8.175 5.008 1.00 63.11 C ATOM 1546 O GLU A 114 26.486 7.043 4.598 1.00 68.99 O ATOM 1547 CB GLU A 114 28.173 9.469 4.270 1.00 60.95 C ATOM 1548 CG GLU A 114 28.849 10.773 3.905 1.00 65.17 C ATOM 1549 CD GLU A 114 29.785 11.224 5.017 1.00 67.38 C ATOM 1550 OE1 GLU A 114 29.864 12.447 5.263 1.00 71.73 O ATOM 1551 OE2 GLU A 114 30.426 10.348 5.632 1.00 68.83 O ATOM 1552 HA GLU A 114 26.304 9.488 3.264 1.00 0.00 H ATOM 1553 HB2 GLU A 114 28.521 9.185 5.263 1.00 0.00 H ATOM 1554 HB3 GLU A 114 28.493 8.719 3.546 1.00 0.00 H ATOM 1555 HG2 GLU A 114 29.422 10.635 2.988 1.00 0.00 H ATOM 1556 HG3 GLU A 114 28.089 11.538 3.745 1.00 0.00 H ATOM 1557 H GLU A 114 25.262 11.095 4.398 1.00 0.00 H TER 1558 GLU A 114 HETATM 1559 O HOH 1 13.238 8.292 14.143 1.00 26.78 O HETATM 1560 O HOH 2 -1.581 -0.099 6.971 1.00 35.35 O HETATM 1561 O HOH 3 -10.076 11.284 -1.371 1.00 40.06 O HETATM 1562 O HOH 4 -5.204 1.009 5.782 1.00 51.60 O HETATM 1563 O HOH 5 6.382 13.839 13.091 1.00 24.49 O HETATM 1564 O HOH 6 -9.062 11.930 5.071 1.00 25.76 O HETATM 1565 O HOH 7 -5.727 13.992 14.816 1.00 26.22 O HETATM 1566 O HOH 8 -7.951 7.490 6.624 1.00 24.65 O HETATM 1567 O HOH 9 -5.197 7.923 10.231 1.00 29.71 O HETATM 1568 O HOH 10 -5.412 20.247 -11.824 1.00 44.90 O HETATM 1569 O HOH 11 18.723 4.303 4.592 1.00 40.12 O HETATM 1570 O HOH 12 13.665 12.334 15.358 1.00 37.27 O HETATM 1571 O HOH 13 10.559 9.547 16.528 1.00 32.20 O HETATM 1572 O HOH 14 23.621 11.722 3.341 1.00 35.44 O HETATM 1573 O HOH 15 4.201 24.027 -2.685 1.00 20.44 O HETATM 1574 O HOH 16 -2.728 1.536 10.341 1.00 37.24 O HETATM 1575 O HOH 17 -5.271 5.702 8.326 1.00 42.45 O HETATM 1576 O HOH 18 -0.100 4.989 11.448 1.00 36.46 O HETATM 1577 O HOH 19 4.819 -1.803 10.595 1.00 23.28 O HETATM 1578 O HOH 20 10.311 19.276 -6.938 1.00 42.79 O HETATM 1579 O HOH 21 -8.076 5.347 4.665 1.00 28.33 O HETATM 1580 O HOH 22 -1.631 24.006 0.728 1.00 29.33 O HETATM 1581 O HOH 23 10.319 -4.572 10.042 1.00 41.74 O HETATM 1582 O HOH 24 -2.410 6.245 10.199 1.00 36.29 O HETATM 1583 O HOH 25 -11.222 -3.387 -2.595 1.00 51.27 O HETATM 1584 O HOH 26 3.550 19.353 10.954 1.00 34.58 O HETATM 1585 O HOH 27 -6.244 14.680 10.927 1.00 40.12 O HETATM 1586 O HOH 28 7.561 -4.311 9.323 1.00 23.41 O HETATM 1587 O HOH 29 13.081 29.572 -5.542 1.00 32.66 O HETATM 1588 O HOH 30 6.143 7.019 16.557 1.00 28.44 O HETATM 1589 O HOH 31 9.256 7.646 18.024 1.00 45.25 O HETATM 1590 O HOH 32 -4.462 23.046 0.804 1.00 36.56 O HETATM 1591 O HOH 33 1.708 25.193 -1.831 1.00 31.60 O HETATM 1592 O HOH 34 -11.641 8.681 -4.475 1.00 40.55 O HETATM 1593 O HOH 35 1.208 3.078 12.466 1.00 46.97 O HETATM 1594 O HOH 36 5.099 23.824 10.141 1.00 43.64 O HETATM 1595 O HOH 37 -9.045 15.329 11.929 1.00 52.77 O HETATM 1596 O HOH 38 12.135 11.566 17.315 1.00 43.10 O HETATM 1597 O HOH 39 12.873 0.754 5.177 1.00 29.85 O HETATM 1598 O HOH 40 -9.515 10.943 1.305 1.00 30.29 O HETATM 1599 O HOH 41 -8.007 6.653 -3.366 1.00 29.14 O HETATM 1600 O HOH 42 -7.964 6.382 -10.048 1.00 31.74 O HETATM 1601 O HOH 43 7.451 0.398 15.009 1.00 51.42 O HETATM 1602 O HOH 44 6.212 4.576 15.266 1.00 39.26 O HETATM 1603 O HOH 45 -7.436 4.501 -8.034 1.00 41.38 O HETATM 1604 O HOH 46 -1.648 13.153 -10.487 1.00 41.44 O HETATM 1605 O HOH 47 17.517 5.678 -0.655 1.00 33.25 O HETATM 1606 O HOH 48 -3.675 -0.132 4.506 1.00 49.98 O HETATM 1607 O HOH 49 -9.998 6.319 2.079 1.00 36.96 O HETATM 1608 O HOH 50 0.000 17.526 15.314 1.00 50.57 O HETATM 1609 O HOH 51 -4.691 2.739 -3.703 1.00 46.34 O HETATM 1610 O HOH 52 31.246 15.448 6.203 1.00 35.15 O HETATM 1611 O HOH 53 -8.434 19.230 9.121 1.00 49.14 O HETATM 1612 O HOH 54 -11.779 -4.168 -0.050 1.00 52.38 O HETATM 1613 O HOH 55 -7.175 15.583 13.235 1.00 38.97 O HETATM 1614 O HOH 56 15.627 11.068 -4.988 1.00 54.87 O HETATM 1615 O HOH 57 -1.197 19.714 11.914 1.00 53.67 O HETATM 1616 O HOH 58 11.004 16.383 -6.636 1.00 44.26 O HETATM 1617 O HOH 59 4.688 26.184 1.295 1.00 63.17 O HETATM 1618 O HOH 60 -11.226 13.921 11.913 1.00 47.09 O HETATM 1619 O HOH 61 15.795 14.375 -7.220 1.00 53.66 O HETATM 1620 O HOH 62 3.988 -0.504 14.992 1.00 51.48 O HETATM 1621 O HOH 63 22.461 8.530 2.350 1.00 44.13 O HETATM 1622 O HOH 64 28.887 15.086 5.466 1.00 30.60 O HETATM 1623 O HOH 65 12.693 19.093 13.154 1.00 44.49 O HETATM 1624 O HOH 66 6.939 4.226 19.815 1.00 47.66 O HETATM 1625 O HOH 67 28.283 15.631 7.616 1.00 45.55 O HETATM 1626 O HOH 68 -0.470 23.563 6.190 1.00 48.92 O HETATM 1627 O HOH 69 9.963 18.073 17.355 1.00 57.14 O HETATM 1628 O HOH 70 11.898 30.559 -3.465 1.00 59.24 O HETATM 1629 O HOH 71 18.927 3.710 6.833 1.00 52.90 O HETATM 1630 O HOH 72 3.253 17.073 12.760 1.00 56.32 O HETATM 1631 O HOH 73 11.736 13.267 -5.128 1.00 44.32 O HETATM 1632 O HOH 74 3.952 25.127 4.923 1.00 48.93 O HETATM 1633 O HOH 75 -12.187 11.670 4.632 1.00 40.91 O HETATM 1634 O HOH 76 23.528 15.473 -10.147 1.00 48.92 O HETATM 1635 O HOH 77 -9.909 1.155 -4.496 1.00 54.04 O HETATM 1636 O HOH 78 12.144 0.000 0.000 1.00 44.24 O HETATM 1637 O HOH 79 18.347 2.741 9.630 1.00 52.60 O HETATM 1638 O HOH 80 10.784 21.626 12.574 1.00 53.59 O HETATM 1639 O HOH 81 16.853 2.052 13.158 1.00 53.83 O HETATM 1640 O HOH 82 8.330 23.882 13.132 1.00 57.54 O HETATM 1641 O HOH 83 9.914 23.948 11.467 1.00 49.20 O HETATM 1642 O HOH 84 -8.162 7.987 10.369 1.00 35.87 O HETATM 1643 O HOH 85 14.002 12.853 -4.535 1.00 55.49 O HETATM 1644 O HOH 86 4.056 14.997 -7.136 1.00 24.15 O HETATM 1645 O HOH 87 -1.322 11.802 -8.260 1.00 21.79 O HETATM 1646 O HOH 88 -0.004 -0.895 -13.039 1.00 44.88 O HETATM 1647 O HOH 89 3.899 2.356 -13.053 1.00 33.45 O HETATM 1648 O HOH 90 -2.594 3.094 -6.368 1.00 41.34 O HETATM 1649 O HOH 91 5.786 10.519 -10.973 1.00 46.08 O HETATM 1650 O HOH 92 9.630 14.728 -8.091 1.00 35.76 O HETATM 1651 O HOH 93 -4.034 1.765 -12.815 1.00 43.42 O HETATM 1652 O HOH 94 2.898 14.483 -9.548 1.00 49.79 O HETATM 1653 O HOH 95 4.877 13.139 -10.115 1.00 56.01 O HETATM 1654 O HOH 96 -2.998 4.175 -13.828 1.00 45.77 O HETATM 1655 S1 NON A 97 12.160 -1.676 8.027 1.00 -0.19 S HETATM 1656 O1 NON A 97 13.600 -1.986 7.994 1.00 -0.48 O HETATM 1657 O2 NON A 97 11.596 -1.773 9.415 1.00 -0.48 O HETATM 1658 C1 NON A 97 11.294 -2.941 7.009 1.00 0.04 C HETATM 1659 C2 NON A 97 11.566 -2.573 5.540 1.00 0.00 C HETATM 1660 C3 NON A 97 12.964 -2.984 5.210 1.00 -0.03 C HETATM 1661 N1 NON A 97 13.145 -3.296 3.740 1.00 0.24 N HETATM 1662 C4 NON A 97 12.272 -2.473 2.808 1.00 -0.01 C HETATM 1663 C5 NON A 97 12.676 -2.911 1.405 1.00 0.09 C HETATM 1664 O4 NON A 97 12.449 -4.280 1.206 1.00 -0.37 O HETATM 1665 C6 NON A 97 13.162 -5.134 2.106 1.00 0.09 C HETATM 1666 C7 NON A 97 12.753 -4.740 3.516 1.00 -0.01 C HETATM 1667 H14 NON A 97 11.665 -4.852 3.632 1.00 0.08 H HETATM 1668 H15 NON A 97 13.268 -5.382 4.245 1.00 0.08 H HETATM 1669 H12 NON A 97 14.246 -4.998 1.976 1.00 0.06 H HETATM 1670 H13 NON A 97 12.899 -6.185 1.917 1.00 0.06 H HETATM 1671 H10 NON A 97 12.088 -2.341 0.670 1.00 0.06 H HETATM 1672 H11 NON A 97 13.746 -2.702 1.260 1.00 0.06 H HETATM 1673 H8 NON A 97 12.462 -1.399 2.948 1.00 0.08 H HETATM 1674 H9 NON A 97 11.207 -2.684 2.988 1.00 0.08 H HETATM 1675 H1 NON A 97 14.113 -3.153 3.496 1.00 0.20 H HETATM 1676 H6 NON A 97 13.646 -2.166 5.484 1.00 0.08 H HETATM 1677 H7 NON A 97 13.215 -3.881 5.795 1.00 0.08 H HETATM 1678 H4 NON A 97 11.454 -1.488 5.401 1.00 0.03 H HETATM 1679 H5 NON A 97 10.857 -3.102 4.886 1.00 0.03 H HETATM 1680 H2 NON A 97 10.213 -2.920 7.213 1.00 0.05 H HETATM 1681 H3 NON A 97 11.689 -3.943 7.230 1.00 0.05 H HETATM 1682 O3 NON A 97 11.915 -0.341 7.461 1.00 -0.48 O CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1655 1656 1657 1658 1682 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1655 1659 1680 1681 CONECT 1659 1658 1660 1678 1679 CONECT 1660 1659 1661 1676 1677 CONECT 1661 1660 1662 1666 1675 CONECT 1662 1661 1663 1673 1674 CONECT 1663 1662 1664 1671 1672 CONECT 1664 1663 1665 CONECT 1665 1664 1666 1669 1670 CONECT 1666 1661 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 CONECT 1669 1665 CONECT 1670 1665 CONECT 1671 1663 CONECT 1672 1663 CONECT 1673 1662 CONECT 1674 1662 CONECT 1675 1661 CONECT 1676 1660 CONECT 1677 1660 CONECT 1678 1659 CONECT 1679 1659 CONECT 1680 1658 CONECT 1681 1658 CONECT 1682 1655 MASTER 0 0 0 0 0 0 0 0 1681 1 32 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 2axi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rv1
RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2gv2
RCSB PDB
PDBbind
110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
108aa, >3TU1_1|Chain... at 100%
3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
2axi
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ubiquitin-protein ligase e3 mdm2
Ligand Name
10-mer
EC.Number
E.C.6.3.2.0
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
IC50=0.14uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
Chembiochem v7 pp. 515-26, 2006
Ligand Properties
Formula
C
7
H
1
8
NO
4
S
Molecular Weight
212.287
Exact Mass
212.096
No. of atoms
31
No. of bonds
31
Polar Surface Area
99.66
LOGP Value
-3.07 (
Computed with XLOGP3
)
1.08 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
OS(CCC[NH+]1CCOCC1)(O)O
InChI String
InChI=1S/C7H17NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h9-11H,1-7H2/p+1
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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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