Browse entries in the PDBbind-CN Database
HEADER 1AZE_COMPLEX COMPND 1AZE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 56 MET GLU ALA ILE ALA LYS VAL ASP PHE LYS ALA THR ALA SEQRES 2 A 56 ASP ASP GLU LEU SER PHE LYS ARG GLY ASP ILE LEU LYS SEQRES 3 A 56 VAL LEU ASN GLU GLU SER ASP GLN ASN TRP TYR LYS ALA SEQRES 4 A 56 GLU LEU ASN GLY LYS ASP GLY PHE ILE PRO LYS ASN TYR SEQRES 5 A 56 ILE GLU MET LYS HET VAL A 57 177 ATOM 1 N MET A 1 11.739 3.234 3.588 1.00 0.00 N ATOM 2 CA MET A 1 12.086 1.892 3.129 1.00 0.00 C ATOM 3 C MET A 1 11.454 1.573 1.758 1.00 0.00 C ATOM 4 O MET A 1 10.885 2.442 1.096 1.00 0.00 O ATOM 5 CB MET A 1 11.740 0.866 4.234 1.00 0.00 C ATOM 6 CG MET A 1 10.249 0.737 4.605 1.00 0.00 C ATOM 7 SD MET A 1 9.179 -0.157 3.438 1.00 0.00 S ATOM 8 CE MET A 1 7.781 -0.560 4.517 1.00 0.00 C ATOM 9 HA MET A 1 13.161 1.831 2.956 1.00 0.00 H ATOM 10 HB2 MET A 1 12.085 -0.112 3.899 1.00 0.00 H ATOM 11 HB3 MET A 1 12.283 1.152 5.135 1.00 0.00 H ATOM 12 HG2 MET A 1 9.849 1.745 4.712 1.00 0.00 H ATOM 13 HG3 MET A 1 10.192 0.222 5.564 1.00 0.00 H ATOM 14 HE1 MET A 1 8.131 -1.170 5.350 1.00 0.00 H ATOM 15 HE2 MET A 1 7.342 0.361 4.900 1.00 0.00 H ATOM 16 HE3 MET A 1 7.033 -1.112 3.949 1.00 0.00 H ATOM 17 HN3 MET A 1 10.706 3.312 3.678 1.00 0.00 H ATOM 18 HN2 MET A 1 12.082 3.934 2.899 1.00 0.00 H ATOM 19 HN1 MET A 1 12.183 3.409 4.512 1.00 0.00 H ATOM 20 N GLU A 2 11.567 0.310 1.322 1.00 0.00 N ATOM 21 CA GLU A 2 10.882 -0.228 0.147 1.00 0.00 C ATOM 22 C GLU A 2 10.572 -1.721 0.331 1.00 0.00 C ATOM 23 O GLU A 2 11.313 -2.437 1.007 1.00 0.00 O ATOM 24 CB GLU A 2 11.674 0.071 -1.138 1.00 0.00 C ATOM 25 CG GLU A 2 13.087 -0.531 -1.177 1.00 0.00 C ATOM 26 CD GLU A 2 13.865 -0.028 -2.396 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.279 1.153 -2.355 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.015 -0.820 -3.351 1.00 0.00 O ATOM 29 HA GLU A 2 9.922 0.276 0.039 1.00 0.00 H ATOM 30 HB2 GLU A 2 11.112 -0.326 -1.983 1.00 0.00 H ATOM 31 HB3 GLU A 2 11.763 1.153 -1.238 1.00 0.00 H ATOM 32 HG2 GLU A 2 13.621 -0.246 -0.271 1.00 0.00 H ATOM 33 HG3 GLU A 2 13.011 -1.617 -1.226 1.00 0.00 H ATOM 34 H GLU A 2 12.185 -0.332 1.857 1.00 0.00 H ATOM 35 N ALA A 3 9.445 -2.171 -0.241 1.00 0.00 N ATOM 36 CA ALA A 3 8.866 -3.493 -0.010 1.00 0.00 C ATOM 37 C ALA A 3 8.196 -4.053 -1.277 1.00 0.00 C ATOM 38 O ALA A 3 7.710 -3.301 -2.123 1.00 0.00 O ATOM 39 CB ALA A 3 7.873 -3.390 1.155 1.00 0.00 C ATOM 40 HA ALA A 3 9.659 -4.195 0.247 1.00 0.00 H ATOM 41 HB1 ALA A 3 8.397 -3.050 2.048 1.00 0.00 H ATOM 42 HB2 ALA A 3 7.088 -2.678 0.900 1.00 0.00 H ATOM 43 HB3 ALA A 3 7.431 -4.369 1.341 1.00 0.00 H ATOM 44 H ALA A 3 8.948 -1.534 -0.895 1.00 0.00 H ATOM 45 N ILE A 4 8.181 -5.389 -1.399 1.00 0.00 N ATOM 46 CA ILE A 4 7.683 -6.125 -2.561 1.00 0.00 C ATOM 47 C ILE A 4 6.181 -6.390 -2.385 1.00 0.00 C ATOM 48 O ILE A 4 5.769 -6.970 -1.382 1.00 0.00 O ATOM 49 CB ILE A 4 8.467 -7.451 -2.741 1.00 0.00 C ATOM 50 CG1 ILE A 4 9.957 -7.244 -3.104 1.00 0.00 C ATOM 51 CG2 ILE A 4 7.839 -8.300 -3.867 1.00 0.00 C ATOM 52 CD1 ILE A 4 10.827 -6.617 -2.005 1.00 0.00 C ATOM 53 HA ILE A 4 7.833 -5.529 -3.461 1.00 0.00 H ATOM 54 HB ILE A 4 8.409 -7.951 -1.774 1.00 0.00 H ATOM 55 HG12 ILE A 4 10.380 -8.217 -3.353 1.00 0.00 H ATOM 56 HG13 ILE A 4 10.002 -6.595 -3.979 1.00 0.00 H ATOM 57 HD11 ILE A 4 10.434 -5.633 -1.749 1.00 0.00 H ATOM 58 HD12 ILE A 4 10.812 -7.256 -1.122 1.00 0.00 H ATOM 59 HD13 ILE A 4 11.851 -6.518 -2.366 1.00 0.00 H ATOM 60 HG21 ILE A 4 6.805 -8.531 -3.613 1.00 0.00 H ATOM 61 HG22 ILE A 4 7.868 -7.740 -4.802 1.00 0.00 H ATOM 62 HG23 ILE A 4 8.402 -9.226 -3.979 1.00 0.00 H ATOM 63 H ILE A 4 8.553 -5.946 -0.604 1.00 0.00 H ATOM 64 N ALA A 5 5.367 -6.011 -3.379 1.00 0.00 N ATOM 65 CA ALA A 5 3.938 -6.304 -3.440 1.00 0.00 C ATOM 66 C ALA A 5 3.689 -7.820 -3.408 1.00 0.00 C ATOM 67 O ALA A 5 4.115 -8.543 -4.308 1.00 0.00 O ATOM 68 CB ALA A 5 3.343 -5.660 -4.695 1.00 0.00 C ATOM 69 HA ALA A 5 3.443 -5.882 -2.565 1.00 0.00 H ATOM 70 HB1 ALA A 5 3.494 -4.581 -4.655 1.00 0.00 H ATOM 71 HB2 ALA A 5 3.837 -6.064 -5.578 1.00 0.00 H ATOM 72 HB3 ALA A 5 2.276 -5.878 -4.742 1.00 0.00 H ATOM 73 H ALA A 5 5.783 -5.469 -4.163 1.00 0.00 H ATOM 74 N LYS A 6 3.004 -8.289 -2.358 1.00 0.00 N ATOM 75 CA LYS A 6 2.694 -9.695 -2.100 1.00 0.00 C ATOM 76 C LYS A 6 1.353 -10.080 -2.751 1.00 0.00 C ATOM 77 O LYS A 6 1.244 -11.143 -3.361 1.00 0.00 O ATOM 78 CB LYS A 6 2.722 -9.912 -0.576 1.00 0.00 C ATOM 79 CG LYS A 6 2.319 -11.328 -0.141 1.00 0.00 C ATOM 80 CD LYS A 6 2.747 -11.634 1.307 1.00 0.00 C ATOM 81 CE LYS A 6 2.392 -10.543 2.334 1.00 0.00 C ATOM 82 NZ LYS A 6 0.944 -10.267 2.377 1.00 0.00 N ATOM 83 HA LYS A 6 3.435 -10.354 -2.552 1.00 0.00 H ATOM 84 HB2 LYS A 6 3.734 -9.718 -0.220 1.00 0.00 H ATOM 85 HB3 LYS A 6 2.034 -9.203 -0.115 1.00 0.00 H ATOM 86 HG2 LYS A 6 1.236 -11.424 -0.215 1.00 0.00 H ATOM 87 HG3 LYS A 6 2.793 -12.049 -0.807 1.00 0.00 H ATOM 88 HD2 LYS A 6 2.261 -12.560 1.615 1.00 0.00 H ATOM 89 HD3 LYS A 6 3.828 -11.771 1.319 1.00 0.00 H ATOM 90 HE2 LYS A 6 2.917 -9.626 2.067 1.00 0.00 H ATOM 91 HE3 LYS A 6 2.716 -10.871 3.321 1.00 0.00 H ATOM 92 HZ1 LYS A 6 0.626 -9.945 1.441 1.00 0.00 H ATOM 93 HZ2 LYS A 6 0.434 -11.135 2.638 1.00 0.00 H ATOM 94 HZ3 LYS A 6 0.754 -9.527 3.082 1.00 0.00 H ATOM 95 H LYS A 6 2.662 -7.593 -1.665 1.00 0.00 H ATOM 96 N VAL A 7 0.350 -9.196 -2.646 1.00 0.00 N ATOM 97 CA VAL A 7 -0.936 -9.260 -3.344 1.00 0.00 C ATOM 98 C VAL A 7 -1.184 -7.934 -4.090 1.00 0.00 C ATOM 99 O VAL A 7 -0.776 -6.864 -3.634 1.00 0.00 O ATOM 100 CB VAL A 7 -2.068 -9.620 -2.353 1.00 0.00 C ATOM 101 CG1 VAL A 7 -2.005 -8.764 -1.084 1.00 0.00 C ATOM 102 CG2 VAL A 7 -3.466 -9.517 -2.988 1.00 0.00 C ATOM 103 HA VAL A 7 -0.919 -10.053 -4.092 1.00 0.00 H ATOM 104 HB VAL A 7 -1.903 -10.662 -2.080 1.00 0.00 H ATOM 105 HG11 VAL A 7 -1.049 -8.925 -0.586 1.00 0.00 H ATOM 106 HG12 VAL A 7 -2.105 -7.712 -1.352 1.00 0.00 H ATOM 107 HG13 VAL A 7 -2.817 -9.048 -0.415 1.00 0.00 H ATOM 108 HG21 VAL A 7 -3.633 -8.496 -3.331 1.00 0.00 H ATOM 109 HG22 VAL A 7 -3.531 -10.201 -3.834 1.00 0.00 H ATOM 110 HG23 VAL A 7 -4.221 -9.781 -2.247 1.00 0.00 H ATOM 111 H VAL A 7 0.500 -8.388 -2.008 1.00 0.00 H ATOM 112 N ASP A 8 -1.856 -8.017 -5.247 1.00 0.00 N ATOM 113 CA ASP A 8 -2.221 -6.885 -6.093 1.00 0.00 C ATOM 114 C ASP A 8 -3.353 -6.057 -5.455 1.00 0.00 C ATOM 115 O ASP A 8 -4.388 -6.610 -5.083 1.00 0.00 O ATOM 116 CB ASP A 8 -2.601 -7.400 -7.498 1.00 0.00 C ATOM 117 CG ASP A 8 -3.749 -8.414 -7.499 1.00 0.00 C ATOM 118 OD1 ASP A 8 -3.493 -9.557 -7.055 1.00 0.00 O ATOM 119 OD2 ASP A 8 -4.853 -8.035 -7.948 1.00 0.00 O ATOM 120 HA ASP A 8 -1.366 -6.216 -6.191 1.00 0.00 H ATOM 121 HB2 ASP A 8 -2.896 -6.546 -8.108 1.00 0.00 H ATOM 122 HB3 ASP A 8 -1.724 -7.874 -7.939 1.00 0.00 H ATOM 123 H ASP A 8 -2.140 -8.965 -5.568 1.00 0.00 H ATOM 124 N PHE A 9 -3.162 -4.732 -5.342 1.00 0.00 N ATOM 125 CA PHE A 9 -4.183 -3.783 -4.901 1.00 0.00 C ATOM 126 C PHE A 9 -4.834 -3.136 -6.133 1.00 0.00 C ATOM 127 O PHE A 9 -4.193 -2.359 -6.842 1.00 0.00 O ATOM 128 CB PHE A 9 -3.580 -2.732 -3.953 1.00 0.00 C ATOM 129 CG PHE A 9 -4.629 -1.890 -3.237 1.00 0.00 C ATOM 130 CD1 PHE A 9 -5.144 -0.722 -3.842 1.00 0.00 C ATOM 131 CD2 PHE A 9 -5.185 -2.340 -2.018 1.00 0.00 C ATOM 132 CE1 PHE A 9 -6.163 0.019 -3.207 1.00 0.00 C ATOM 133 CE2 PHE A 9 -6.219 -1.611 -1.393 1.00 0.00 C ATOM 134 CZ PHE A 9 -6.707 -0.429 -1.987 1.00 0.00 C ATOM 135 HA PHE A 9 -4.954 -4.309 -4.338 1.00 0.00 H ATOM 136 HB2 PHE A 9 -2.979 -3.247 -3.203 1.00 0.00 H ATOM 137 HB3 PHE A 9 -2.941 -2.067 -4.535 1.00 0.00 H ATOM 138 HD2 PHE A 9 -4.813 -3.255 -1.558 1.00 0.00 H ATOM 139 HE2 PHE A 9 -6.640 -1.962 -0.451 1.00 0.00 H ATOM 140 HZ PHE A 9 -7.503 0.137 -1.503 1.00 0.00 H ATOM 141 HE1 PHE A 9 -6.530 0.940 -3.661 1.00 0.00 H ATOM 142 HD1 PHE A 9 -4.752 -0.392 -4.804 1.00 0.00 H ATOM 143 H PHE A 9 -2.223 -4.356 -5.585 1.00 0.00 H ATOM 144 N LYS A 10 -6.111 -3.459 -6.379 1.00 0.00 N ATOM 145 CA LYS A 10 -6.914 -2.952 -7.488 1.00 0.00 C ATOM 146 C LYS A 10 -7.815 -1.818 -6.976 1.00 0.00 C ATOM 147 O LYS A 10 -8.942 -2.062 -6.545 1.00 0.00 O ATOM 148 CB LYS A 10 -7.700 -4.129 -8.096 1.00 0.00 C ATOM 149 CG LYS A 10 -8.479 -3.730 -9.358 1.00 0.00 C ATOM 150 CD LYS A 10 -9.162 -4.965 -9.964 1.00 0.00 C ATOM 151 CE LYS A 10 -9.931 -4.601 -11.240 1.00 0.00 C ATOM 152 NZ LYS A 10 -10.568 -5.790 -11.836 1.00 0.00 N ATOM 153 HA LYS A 10 -6.295 -2.529 -8.279 1.00 0.00 H ATOM 154 HB2 LYS A 10 -6.998 -4.921 -8.355 1.00 0.00 H ATOM 155 HB3 LYS A 10 -8.406 -4.499 -7.352 1.00 0.00 H ATOM 156 HG2 LYS A 10 -9.236 -2.990 -9.097 1.00 0.00 H ATOM 157 HG3 LYS A 10 -7.791 -3.303 -10.088 1.00 0.00 H ATOM 158 HD2 LYS A 10 -8.403 -5.709 -10.206 1.00 0.00 H ATOM 159 HD3 LYS A 10 -9.858 -5.381 -9.235 1.00 0.00 H ATOM 160 HE2 LYS A 10 -9.238 -4.169 -11.962 1.00 0.00 H ATOM 161 HE3 LYS A 10 -10.701 -3.870 -10.995 1.00 0.00 H ATOM 162 HZ1 LYS A 10 -9.837 -6.490 -12.077 1.00 0.00 H ATOM 163 HZ2 LYS A 10 -11.234 -6.204 -11.153 1.00 0.00 H ATOM 164 HZ3 LYS A 10 -11.080 -5.512 -12.697 1.00 0.00 H ATOM 165 H LYS A 10 -6.568 -4.126 -5.726 1.00 0.00 H ATOM 166 N ALA A 11 -7.309 -0.575 -7.005 1.00 0.00 N ATOM 167 CA ALA A 11 -8.001 0.598 -6.468 1.00 0.00 C ATOM 168 C ALA A 11 -9.218 1.000 -7.317 1.00 0.00 C ATOM 169 O ALA A 11 -9.150 0.995 -8.546 1.00 0.00 O ATOM 170 CB ALA A 11 -7.032 1.783 -6.363 1.00 0.00 C ATOM 171 HA ALA A 11 -8.365 0.327 -5.477 1.00 0.00 H ATOM 172 HB1 ALA A 11 -6.208 1.519 -5.700 1.00 0.00 H ATOM 173 HB2 ALA A 11 -6.642 2.020 -7.353 1.00 0.00 H ATOM 174 HB3 ALA A 11 -7.560 2.648 -5.962 1.00 0.00 H ATOM 175 H ALA A 11 -6.371 -0.437 -7.434 1.00 0.00 H ATOM 176 N THR A 12 -10.309 1.395 -6.646 1.00 0.00 N ATOM 177 CA THR A 12 -11.490 2.011 -7.254 1.00 0.00 C ATOM 178 C THR A 12 -11.289 3.534 -7.328 1.00 0.00 C ATOM 179 O THR A 12 -11.383 4.123 -8.403 1.00 0.00 O ATOM 180 CB THR A 12 -12.757 1.635 -6.456 1.00 0.00 C ATOM 181 OG1 THR A 12 -12.906 0.228 -6.424 1.00 0.00 O ATOM 182 CG2 THR A 12 -14.027 2.240 -7.073 1.00 0.00 C ATOM 183 HA THR A 12 -11.624 1.637 -8.269 1.00 0.00 H ATOM 184 HB THR A 12 -12.632 2.036 -5.450 1.00 0.00 H ATOM 185 HG1 THR A 12 -13.720 -0.005 -5.911 1.00 0.00 H ATOM 186 HG23 THR A 12 -13.932 3.325 -7.107 1.00 0.00 H ATOM 187 HG21 THR A 12 -14.158 1.854 -8.084 1.00 0.00 H ATOM 188 HG22 THR A 12 -14.890 1.968 -6.465 1.00 0.00 H ATOM 189 H THR A 12 -10.317 1.253 -5.616 1.00 0.00 H ATOM 190 N ALA A 13 -11.014 4.163 -6.174 1.00 0.00 N ATOM 191 CA ALA A 13 -10.782 5.598 -6.024 1.00 0.00 C ATOM 192 C ALA A 13 -9.338 5.970 -6.408 1.00 0.00 C ATOM 193 O ALA A 13 -8.392 5.314 -5.967 1.00 0.00 O ATOM 194 CB ALA A 13 -11.086 5.992 -4.573 1.00 0.00 C ATOM 195 HA ALA A 13 -11.441 6.146 -6.697 1.00 0.00 H ATOM 196 HB1 ALA A 13 -12.125 5.757 -4.344 1.00 0.00 H ATOM 197 HB2 ALA A 13 -10.430 5.437 -3.902 1.00 0.00 H ATOM 198 HB3 ALA A 13 -10.917 7.061 -4.445 1.00 0.00 H ATOM 199 H ALA A 13 -10.962 3.580 -5.315 1.00 0.00 H ATOM 200 N ASP A 14 -9.171 7.026 -7.223 1.00 0.00 N ATOM 201 CA ASP A 14 -7.876 7.516 -7.701 1.00 0.00 C ATOM 202 C ASP A 14 -7.192 8.387 -6.625 1.00 0.00 C ATOM 203 O ASP A 14 -7.024 9.596 -6.781 1.00 0.00 O ATOM 204 CB ASP A 14 -8.072 8.230 -9.054 1.00 0.00 C ATOM 205 CG ASP A 14 -6.749 8.610 -9.726 1.00 0.00 C ATOM 206 OD1 ASP A 14 -5.890 7.709 -9.851 1.00 0.00 O ATOM 207 OD2 ASP A 14 -6.621 9.791 -10.116 1.00 0.00 O ATOM 208 HA ASP A 14 -7.194 6.684 -7.876 1.00 0.00 H ATOM 209 HB2 ASP A 14 -8.623 7.567 -9.721 1.00 0.00 H ATOM 210 HB3 ASP A 14 -8.651 9.138 -8.887 1.00 0.00 H ATOM 211 H ASP A 14 -10.024 7.532 -7.537 1.00 0.00 H ATOM 212 N ASP A 15 -6.797 7.729 -5.529 1.00 0.00 N ATOM 213 CA ASP A 15 -6.104 8.272 -4.360 1.00 0.00 C ATOM 214 C ASP A 15 -5.393 7.128 -3.611 1.00 0.00 C ATOM 215 O ASP A 15 -4.224 7.254 -3.247 1.00 0.00 O ATOM 216 CB ASP A 15 -7.056 9.110 -3.475 1.00 0.00 C ATOM 217 CG ASP A 15 -8.335 8.420 -2.990 1.00 0.00 C ATOM 218 OD1 ASP A 15 -8.567 7.251 -3.363 1.00 0.00 O ATOM 219 OD2 ASP A 15 -9.080 9.087 -2.237 1.00 0.00 O ATOM 220 HA ASP A 15 -5.333 8.974 -4.679 1.00 0.00 H ATOM 221 HB2 ASP A 15 -6.496 9.425 -2.594 1.00 0.00 H ATOM 222 HB3 ASP A 15 -7.352 9.988 -4.049 1.00 0.00 H ATOM 223 H ASP A 15 -7.007 6.711 -5.505 1.00 0.00 H ATOM 224 N GLU A 16 -6.086 5.994 -3.425 1.00 0.00 N ATOM 225 CA GLU A 16 -5.520 4.740 -2.943 1.00 0.00 C ATOM 226 C GLU A 16 -4.648 4.152 -4.067 1.00 0.00 C ATOM 227 O GLU A 16 -5.143 3.906 -5.167 1.00 0.00 O ATOM 228 CB GLU A 16 -6.647 3.767 -2.541 1.00 0.00 C ATOM 229 CG GLU A 16 -7.651 4.334 -1.522 1.00 0.00 C ATOM 230 CD GLU A 16 -6.981 4.942 -0.291 1.00 0.00 C ATOM 231 OE1 GLU A 16 -6.614 4.159 0.609 1.00 0.00 O ATOM 232 OE2 GLU A 16 -6.874 6.187 -0.252 1.00 0.00 O ATOM 233 HA GLU A 16 -4.908 4.909 -2.057 1.00 0.00 H ATOM 234 HB2 GLU A 16 -7.196 3.491 -3.442 1.00 0.00 H ATOM 235 HB3 GLU A 16 -6.190 2.877 -2.109 1.00 0.00 H ATOM 236 HG2 GLU A 16 -8.243 5.107 -2.012 1.00 0.00 H ATOM 237 HG3 GLU A 16 -8.308 3.527 -1.196 1.00 0.00 H ATOM 238 H GLU A 16 -7.103 6.011 -3.641 1.00 0.00 H ATOM 239 N LEU A 17 -3.344 3.965 -3.816 1.00 0.00 N ATOM 240 CA LEU A 17 -2.370 3.543 -4.822 1.00 0.00 C ATOM 241 C LEU A 17 -2.683 2.131 -5.333 1.00 0.00 C ATOM 242 O LEU A 17 -2.725 1.187 -4.544 1.00 0.00 O ATOM 243 CB LEU A 17 -0.952 3.606 -4.228 1.00 0.00 C ATOM 244 CG LEU A 17 0.184 3.287 -5.220 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.205 4.265 -6.399 1.00 0.00 C ATOM 246 CD2 LEU A 17 1.532 3.370 -4.493 1.00 0.00 C ATOM 247 HA LEU A 17 -2.429 4.222 -5.673 1.00 0.00 H ATOM 248 HB2 LEU A 17 -0.791 4.612 -3.841 1.00 0.00 H ATOM 249 HB3 LEU A 17 -0.896 2.890 -3.408 1.00 0.00 H ATOM 250 HG LEU A 17 0.010 2.283 -5.608 1.00 0.00 H ATOM 251 HD21 LEU A 17 1.667 4.375 -4.094 1.00 0.00 H ATOM 252 HD22 LEU A 17 1.548 2.649 -3.676 1.00 0.00 H ATOM 253 HD23 LEU A 17 2.336 3.145 -5.194 1.00 0.00 H ATOM 254 HD11 LEU A 17 -0.743 4.207 -6.934 1.00 0.00 H ATOM 255 HD12 LEU A 17 0.352 5.279 -6.026 1.00 0.00 H ATOM 256 HD13 LEU A 17 1.021 4.003 -7.072 1.00 0.00 H ATOM 257 H LEU A 17 -3.005 4.130 -2.847 1.00 0.00 H ATOM 258 N SER A 18 -2.870 1.990 -6.653 1.00 0.00 N ATOM 259 CA SER A 18 -3.058 0.704 -7.325 1.00 0.00 C ATOM 260 C SER A 18 -1.706 0.137 -7.771 1.00 0.00 C ATOM 261 O SER A 18 -0.894 0.863 -8.346 1.00 0.00 O ATOM 262 CB SER A 18 -4.015 0.845 -8.516 1.00 0.00 C ATOM 263 OG SER A 18 -4.280 -0.425 -9.081 1.00 0.00 O ATOM 264 HA SER A 18 -3.508 0.006 -6.619 1.00 0.00 H ATOM 265 HB2 SER A 18 -3.560 1.487 -9.270 1.00 0.00 H ATOM 266 HB3 SER A 18 -4.950 1.291 -8.177 1.00 0.00 H ATOM 267 HG SER A 18 -4.695 -1.009 -8.398 1.00 0.00 H ATOM 268 H SER A 18 -2.882 2.850 -7.237 1.00 0.00 H ATOM 269 N PHE A 19 -1.476 -1.156 -7.510 1.00 0.00 N ATOM 270 CA PHE A 19 -0.224 -1.854 -7.803 1.00 0.00 C ATOM 271 C PHE A 19 -0.451 -3.365 -7.944 1.00 0.00 C ATOM 272 O PHE A 19 -1.436 -3.903 -7.439 1.00 0.00 O ATOM 273 CB PHE A 19 0.826 -1.537 -6.724 1.00 0.00 C ATOM 274 CG PHE A 19 0.425 -1.878 -5.293 1.00 0.00 C ATOM 275 CD1 PHE A 19 -0.218 -0.909 -4.490 1.00 0.00 C ATOM 276 CD2 PHE A 19 0.737 -3.142 -4.742 1.00 0.00 C ATOM 277 CE1 PHE A 19 -0.528 -1.191 -3.143 1.00 0.00 C ATOM 278 CE2 PHE A 19 0.484 -3.402 -3.377 1.00 0.00 C ATOM 279 CZ PHE A 19 -0.140 -2.422 -2.576 1.00 0.00 C ATOM 280 HA PHE A 19 0.156 -1.497 -8.760 1.00 0.00 H ATOM 281 HB2 PHE A 19 1.731 -2.097 -6.961 1.00 0.00 H ATOM 282 HB3 PHE A 19 1.039 -0.469 -6.767 1.00 0.00 H ATOM 283 HD2 PHE A 19 1.174 -3.917 -5.372 1.00 0.00 H ATOM 284 HE2 PHE A 19 0.771 -4.360 -2.942 1.00 0.00 H ATOM 285 HZ PHE A 19 -0.322 -2.617 -1.519 1.00 0.00 H ATOM 286 HE1 PHE A 19 -1.067 -0.458 -2.542 1.00 0.00 H ATOM 287 HD1 PHE A 19 -0.476 0.062 -4.914 1.00 0.00 H ATOM 288 H PHE A 19 -2.242 -1.703 -7.068 1.00 0.00 H ATOM 289 N LYS A 20 0.476 -4.042 -8.637 1.00 0.00 N ATOM 290 CA LYS A 20 0.446 -5.477 -8.910 1.00 0.00 C ATOM 291 C LYS A 20 1.486 -6.223 -8.062 1.00 0.00 C ATOM 292 O LYS A 20 2.543 -5.687 -7.732 1.00 0.00 O ATOM 293 CB LYS A 20 0.686 -5.731 -10.408 1.00 0.00 C ATOM 294 CG LYS A 20 -0.444 -5.150 -11.272 1.00 0.00 C ATOM 295 CD LYS A 20 -0.248 -5.533 -12.746 1.00 0.00 C ATOM 296 CE LYS A 20 -1.395 -4.986 -13.606 1.00 0.00 C ATOM 297 NZ LYS A 20 -1.245 -5.381 -15.018 1.00 0.00 N ATOM 298 HA LYS A 20 -0.538 -5.859 -8.639 1.00 0.00 H ATOM 299 HB2 LYS A 20 1.628 -5.266 -10.699 1.00 0.00 H ATOM 300 HB3 LYS A 20 0.745 -6.806 -10.579 1.00 0.00 H ATOM 301 HG2 LYS A 20 -1.400 -5.542 -10.924 1.00 0.00 H ATOM 302 HG3 LYS A 20 -0.443 -4.064 -11.181 1.00 0.00 H ATOM 303 HD2 LYS A 20 0.695 -5.118 -13.101 1.00 0.00 H ATOM 304 HD3 LYS A 20 -0.222 -6.619 -12.833 1.00 0.00 H ATOM 305 HE2 LYS A 20 -1.400 -3.898 -13.541 1.00 0.00 H ATOM 306 HE3 LYS A 20 -2.340 -5.376 -13.227 1.00 0.00 H ATOM 307 HZ1 LYS A 20 -0.348 -5.007 -15.388 1.00 0.00 H ATOM 308 HZ2 LYS A 20 -1.245 -6.419 -15.088 1.00 0.00 H ATOM 309 HZ3 LYS A 20 -2.037 -4.995 -15.571 1.00 0.00 H ATOM 310 H LYS A 20 1.282 -3.502 -9.011 1.00 0.00 H ATOM 311 N ARG A 21 1.184 -7.488 -7.737 1.00 0.00 N ATOM 312 CA ARG A 21 2.062 -8.401 -7.011 1.00 0.00 C ATOM 313 C ARG A 21 3.388 -8.606 -7.768 1.00 0.00 C ATOM 314 O ARG A 21 3.383 -9.056 -8.913 1.00 0.00 O ATOM 315 CB ARG A 21 1.310 -9.712 -6.726 1.00 0.00 C ATOM 316 CG ARG A 21 0.918 -10.509 -7.987 1.00 0.00 C ATOM 317 CD ARG A 21 -0.385 -11.292 -7.778 1.00 0.00 C ATOM 318 NE ARG A 21 -0.309 -12.166 -6.594 1.00 0.00 N ATOM 319 CZ ARG A 21 -1.278 -12.400 -5.691 1.00 0.00 C ATOM 320 NH1 ARG A 21 -2.496 -11.855 -5.789 1.00 0.00 N ATOM 321 NH2 ARG A 21 -1.018 -13.198 -4.652 1.00 0.00 N ATOM 322 HA ARG A 21 2.337 -7.970 -6.049 1.00 0.00 H ATOM 323 HB2 ARG A 21 1.948 -10.344 -6.108 1.00 0.00 H ATOM 324 HB3 ARG A 21 0.399 -9.471 -6.178 1.00 0.00 H ATOM 325 HG2 ARG A 21 0.785 -9.815 -8.817 1.00 0.00 H ATOM 326 HG3 ARG A 21 1.718 -11.210 -8.226 1.00 0.00 H ATOM 327 HD2 ARG A 21 -0.575 -11.905 -8.659 1.00 0.00 H ATOM 328 HD3 ARG A 21 -1.205 -10.586 -7.645 1.00 0.00 H ATOM 329 HE ARG A 21 0.595 -12.657 -6.439 1.00 0.00 H ATOM 330 HH12 ARG A 21 -3.218 -12.062 -5.069 1.00 0.00 H ATOM 331 HH11 ARG A 21 -2.721 -11.225 -6.585 1.00 0.00 H ATOM 332 HH22 ARG A 21 -1.757 -13.389 -3.945 1.00 0.00 H ATOM 333 HH21 ARG A 21 -0.077 -13.629 -4.550 1.00 0.00 H ATOM 334 H ARG A 21 0.251 -7.847 -8.025 1.00 0.00 H ATOM 335 N GLY A 22 4.511 -8.226 -7.140 1.00 0.00 N ATOM 336 CA GLY A 22 5.838 -8.160 -7.750 1.00 0.00 C ATOM 337 C GLY A 22 6.448 -6.750 -7.709 1.00 0.00 C ATOM 338 O GLY A 22 7.659 -6.624 -7.528 1.00 0.00 O ATOM 339 HA3 GLY A 22 5.758 -8.474 -8.791 1.00 0.00 H ATOM 340 HA2 GLY A 22 6.500 -8.841 -7.216 1.00 0.00 H ATOM 341 H GLY A 22 4.431 -7.957 -6.139 1.00 0.00 H ATOM 342 N ASP A 23 5.633 -5.694 -7.889 1.00 0.00 N ATOM 343 CA ASP A 23 6.052 -4.298 -7.949 1.00 0.00 C ATOM 344 C ASP A 23 6.867 -3.877 -6.713 1.00 0.00 C ATOM 345 O ASP A 23 6.651 -4.364 -5.604 1.00 0.00 O ATOM 346 CB ASP A 23 4.811 -3.392 -8.099 1.00 0.00 C ATOM 347 CG ASP A 23 4.014 -3.562 -9.397 1.00 0.00 C ATOM 348 OD1 ASP A 23 4.468 -4.321 -10.280 1.00 0.00 O ATOM 349 OD2 ASP A 23 2.947 -2.914 -9.482 1.00 0.00 O ATOM 350 HA ASP A 23 6.704 -4.186 -8.816 1.00 0.00 H ATOM 351 HB2 ASP A 23 4.141 -3.601 -7.265 1.00 0.00 H ATOM 352 HB3 ASP A 23 5.145 -2.356 -8.044 1.00 0.00 H ATOM 353 H ASP A 23 4.617 -5.890 -7.994 1.00 0.00 H ATOM 354 N ILE A 24 7.800 -2.945 -6.928 1.00 0.00 N ATOM 355 CA ILE A 24 8.649 -2.343 -5.898 1.00 0.00 C ATOM 356 C ILE A 24 7.939 -1.090 -5.363 1.00 0.00 C ATOM 357 O ILE A 24 8.018 -0.021 -5.968 1.00 0.00 O ATOM 358 CB ILE A 24 10.062 -2.042 -6.457 1.00 0.00 C ATOM 359 CG1 ILE A 24 10.717 -3.334 -6.997 1.00 0.00 C ATOM 360 CG2 ILE A 24 10.946 -1.409 -5.362 1.00 0.00 C ATOM 361 CD1 ILE A 24 12.094 -3.105 -7.636 1.00 0.00 C ATOM 362 HA ILE A 24 8.799 -3.036 -5.070 1.00 0.00 H ATOM 363 HB ILE A 24 9.966 -1.334 -7.280 1.00 0.00 H ATOM 364 HG12 ILE A 24 10.833 -4.034 -6.169 1.00 0.00 H ATOM 365 HG13 ILE A 24 10.056 -3.768 -7.748 1.00 0.00 H ATOM 366 HD11 ILE A 24 11.994 -2.415 -8.474 1.00 0.00 H ATOM 367 HD12 ILE A 24 12.771 -2.682 -6.894 1.00 0.00 H ATOM 368 HD13 ILE A 24 12.491 -4.056 -7.991 1.00 0.00 H ATOM 369 HG21 ILE A 24 10.491 -0.479 -5.022 1.00 0.00 H ATOM 370 HG22 ILE A 24 11.034 -2.100 -4.523 1.00 0.00 H ATOM 371 HG23 ILE A 24 11.936 -1.203 -5.770 1.00 0.00 H ATOM 372 H ILE A 24 7.934 -2.621 -7.907 1.00 0.00 H ATOM 373 N LEU A 25 7.245 -1.229 -4.225 1.00 0.00 N ATOM 374 CA LEU A 25 6.538 -0.147 -3.543 1.00 0.00 C ATOM 375 C LEU A 25 7.503 0.510 -2.551 1.00 0.00 C ATOM 376 O LEU A 25 7.752 -0.022 -1.468 1.00 0.00 O ATOM 377 CB LEU A 25 5.282 -0.688 -2.833 1.00 0.00 C ATOM 378 CG LEU A 25 4.073 -0.965 -3.752 1.00 0.00 C ATOM 379 CD1 LEU A 25 3.427 0.337 -4.251 1.00 0.00 C ATOM 380 CD2 LEU A 25 4.408 -1.878 -4.934 1.00 0.00 C ATOM 381 HA LEU A 25 6.202 0.598 -4.264 1.00 0.00 H ATOM 382 HB2 LEU A 25 5.550 -1.621 -2.338 1.00 0.00 H ATOM 383 HB3 LEU A 25 4.976 0.043 -2.085 1.00 0.00 H ATOM 384 HG LEU A 25 3.353 -1.498 -3.131 1.00 0.00 H ATOM 385 HD21 LEU A 25 5.184 -1.413 -5.542 1.00 0.00 H ATOM 386 HD22 LEU A 25 4.764 -2.838 -4.560 1.00 0.00 H ATOM 387 HD23 LEU A 25 3.514 -2.031 -5.538 1.00 0.00 H ATOM 388 HD11 LEU A 25 3.083 0.921 -3.397 1.00 0.00 H ATOM 389 HD12 LEU A 25 4.161 0.913 -4.814 1.00 0.00 H ATOM 390 HD13 LEU A 25 2.580 0.098 -4.894 1.00 0.00 H ATOM 391 H LEU A 25 7.207 -2.176 -3.796 1.00 0.00 H ATOM 392 N LYS A 26 8.041 1.672 -2.939 1.00 0.00 N ATOM 393 CA LYS A 26 8.972 2.475 -2.155 1.00 0.00 C ATOM 394 C LYS A 26 8.195 3.468 -1.285 1.00 0.00 C ATOM 395 O LYS A 26 7.394 4.243 -1.800 1.00 0.00 O ATOM 396 CB LYS A 26 9.965 3.172 -3.100 1.00 0.00 C ATOM 397 CG LYS A 26 11.040 3.946 -2.321 1.00 0.00 C ATOM 398 CD LYS A 26 12.250 4.255 -3.219 1.00 0.00 C ATOM 399 CE LYS A 26 13.445 4.798 -2.422 1.00 0.00 C ATOM 400 NZ LYS A 26 13.983 3.796 -1.480 1.00 0.00 N ATOM 401 HA LYS A 26 9.548 1.840 -1.482 1.00 0.00 H ATOM 402 HB2 LYS A 26 10.451 2.419 -3.721 1.00 0.00 H ATOM 403 HB3 LYS A 26 9.419 3.868 -3.736 1.00 0.00 H ATOM 404 HG2 LYS A 26 10.615 4.882 -1.959 1.00 0.00 H ATOM 405 HG3 LYS A 26 11.368 3.346 -1.473 1.00 0.00 H ATOM 406 HD2 LYS A 26 12.554 3.339 -3.726 1.00 0.00 H ATOM 407 HD3 LYS A 26 11.956 4.998 -3.960 1.00 0.00 H ATOM 408 HE2 LYS A 26 13.124 5.674 -1.859 1.00 0.00 H ATOM 409 HE3 LYS A 26 14.232 5.084 -3.119 1.00 0.00 H ATOM 410 HZ1 LYS A 26 13.240 3.522 -0.806 1.00 0.00 H ATOM 411 HZ2 LYS A 26 14.299 2.958 -2.010 1.00 0.00 H ATOM 412 HZ3 LYS A 26 14.788 4.205 -0.963 1.00 0.00 H ATOM 413 H LYS A 26 7.773 2.032 -3.877 1.00 0.00 H ATOM 414 N VAL A 27 8.433 3.463 0.032 1.00 0.00 N ATOM 415 CA VAL A 27 7.645 4.223 1.000 1.00 0.00 C ATOM 416 C VAL A 27 8.245 5.621 1.172 1.00 0.00 C ATOM 417 O VAL A 27 9.456 5.784 1.318 1.00 0.00 O ATOM 418 CB VAL A 27 7.557 3.459 2.339 1.00 0.00 C ATOM 419 CG1 VAL A 27 6.976 4.316 3.478 1.00 0.00 C ATOM 420 CG2 VAL A 27 6.658 2.228 2.155 1.00 0.00 C ATOM 421 HA VAL A 27 6.626 4.342 0.631 1.00 0.00 H ATOM 422 HB VAL A 27 8.573 3.179 2.616 1.00 0.00 H ATOM 423 HG11 VAL A 27 7.609 5.189 3.633 1.00 0.00 H ATOM 424 HG12 VAL A 27 5.970 4.638 3.211 1.00 0.00 H ATOM 425 HG13 VAL A 27 6.939 3.725 4.393 1.00 0.00 H ATOM 426 HG21 VAL A 27 5.662 2.549 1.849 1.00 0.00 H ATOM 427 HG22 VAL A 27 7.084 1.580 1.389 1.00 0.00 H ATOM 428 HG23 VAL A 27 6.592 1.684 3.097 1.00 0.00 H ATOM 429 H VAL A 27 9.223 2.886 0.386 1.00 0.00 H ATOM 430 N LEU A 28 7.358 6.624 1.148 1.00 0.00 N ATOM 431 CA LEU A 28 7.681 8.039 1.299 1.00 0.00 C ATOM 432 C LEU A 28 7.510 8.460 2.765 1.00 0.00 C ATOM 433 O LEU A 28 8.442 9.006 3.356 1.00 0.00 O ATOM 434 CB LEU A 28 6.816 8.901 0.360 1.00 0.00 C ATOM 435 CG LEU A 28 6.928 8.549 -1.139 1.00 0.00 C ATOM 436 CD1 LEU A 28 6.067 9.537 -1.943 1.00 0.00 C ATOM 437 CD2 LEU A 28 8.377 8.584 -1.653 1.00 0.00 C ATOM 438 HA LEU A 28 8.722 8.197 1.017 1.00 0.00 H ATOM 439 HB2 LEU A 28 5.774 8.784 0.658 1.00 0.00 H ATOM 440 HB3 LEU A 28 7.114 9.942 0.486 1.00 0.00 H ATOM 441 HG LEU A 28 6.574 7.526 -1.269 1.00 0.00 H ATOM 442 HD21 LEU A 28 8.786 9.585 -1.514 1.00 0.00 H ATOM 443 HD22 LEU A 28 8.976 7.864 -1.096 1.00 0.00 H ATOM 444 HD23 LEU A 28 8.392 8.328 -2.712 1.00 0.00 H ATOM 445 HD11 LEU A 28 5.029 9.458 -1.620 1.00 0.00 H ATOM 446 HD12 LEU A 28 6.426 10.552 -1.773 1.00 0.00 H ATOM 447 HD13 LEU A 28 6.138 9.299 -3.004 1.00 0.00 H ATOM 448 H LEU A 28 6.358 6.374 1.011 1.00 0.00 H ATOM 449 N ASN A 29 6.323 8.218 3.346 1.00 0.00 N ATOM 450 CA ASN A 29 6.022 8.546 4.737 1.00 0.00 C ATOM 451 C ASN A 29 4.988 7.583 5.344 1.00 0.00 C ATOM 452 O ASN A 29 3.781 7.773 5.180 1.00 0.00 O ATOM 453 CB ASN A 29 5.591 10.024 4.843 1.00 0.00 C ATOM 454 CG ASN A 29 5.124 10.441 6.236 1.00 0.00 C ATOM 455 OD1 ASN A 29 4.089 11.085 6.383 1.00 0.00 O ATOM 456 ND2 ASN A 29 5.851 10.059 7.278 1.00 0.00 N ATOM 457 HA ASN A 29 6.927 8.416 5.331 1.00 0.00 H ATOM 458 HB2 ASN A 29 6.440 10.649 4.565 1.00 0.00 H ATOM 459 HB3 ASN A 29 4.773 10.193 4.143 1.00 0.00 H ATOM 460 HD22 ASN A 29 6.725 9.514 7.131 1.00 0.00 H ATOM 461 HD21 ASN A 29 5.547 10.304 8.242 1.00 0.00 H ATOM 462 H ASN A 29 5.578 7.773 2.774 1.00 0.00 H ATOM 463 N GLU A 30 5.474 6.577 6.083 1.00 0.00 N ATOM 464 CA GLU A 30 4.669 5.693 6.928 1.00 0.00 C ATOM 465 C GLU A 30 4.511 6.270 8.351 1.00 0.00 C ATOM 466 O GLU A 30 3.591 5.875 9.068 1.00 0.00 O ATOM 467 CB GLU A 30 5.260 4.274 6.956 1.00 0.00 C ATOM 468 CG GLU A 30 6.706 4.180 7.470 1.00 0.00 C ATOM 469 CD GLU A 30 7.177 2.724 7.519 1.00 0.00 C ATOM 470 OE1 GLU A 30 6.688 1.995 8.410 1.00 0.00 O ATOM 471 OE2 GLU A 30 8.007 2.357 6.659 1.00 0.00 O ATOM 472 HA GLU A 30 3.672 5.628 6.493 1.00 0.00 H ATOM 473 HB2 GLU A 30 4.632 3.659 7.600 1.00 0.00 H ATOM 474 HB3 GLU A 30 5.236 3.878 5.941 1.00 0.00 H ATOM 475 HG2 GLU A 30 7.359 4.744 6.804 1.00 0.00 H ATOM 476 HG3 GLU A 30 6.757 4.605 8.472 1.00 0.00 H ATOM 477 H GLU A 30 6.500 6.411 6.054 1.00 0.00 H ATOM 478 N GLU A 31 5.390 7.208 8.750 1.00 0.00 N ATOM 479 CA GLU A 31 5.408 7.903 10.035 1.00 0.00 C ATOM 480 C GLU A 31 4.249 8.905 10.079 1.00 0.00 C ATOM 481 O GLU A 31 4.418 10.110 9.896 1.00 0.00 O ATOM 482 CB GLU A 31 6.782 8.555 10.285 1.00 0.00 C ATOM 483 CG GLU A 31 7.933 7.547 10.102 1.00 0.00 C ATOM 484 CD GLU A 31 8.418 7.357 8.656 1.00 0.00 C ATOM 485 OE1 GLU A 31 7.861 8.014 7.746 1.00 0.00 O ATOM 486 OE2 GLU A 31 9.349 6.542 8.483 1.00 0.00 O ATOM 487 HA GLU A 31 5.263 7.193 10.849 1.00 0.00 H ATOM 488 HB2 GLU A 31 6.917 9.377 9.582 1.00 0.00 H ATOM 489 HB3 GLU A 31 6.810 8.942 11.304 1.00 0.00 H ATOM 490 HG2 GLU A 31 8.779 7.889 10.699 1.00 0.00 H ATOM 491 HG3 GLU A 31 7.596 6.580 10.474 1.00 0.00 H ATOM 492 H GLU A 31 6.135 7.465 8.072 1.00 0.00 H ATOM 493 N SER A 32 3.057 8.340 10.275 1.00 0.00 N ATOM 494 CA SER A 32 1.750 8.979 10.164 1.00 0.00 C ATOM 495 C SER A 32 0.695 8.036 10.753 1.00 0.00 C ATOM 496 O SER A 32 0.006 8.387 11.711 1.00 0.00 O ATOM 497 CB SER A 32 1.475 9.327 8.690 1.00 0.00 C ATOM 498 OG SER A 32 0.208 9.927 8.522 1.00 0.00 O ATOM 499 HA SER A 32 1.717 9.913 10.725 1.00 0.00 H ATOM 500 HB2 SER A 32 1.514 8.413 8.098 1.00 0.00 H ATOM 501 HB3 SER A 32 2.242 10.018 8.341 1.00 0.00 H ATOM 502 HG SER A 32 0.067 10.136 7.565 1.00 0.00 H ATOM 503 H SER A 32 3.059 7.333 10.536 1.00 0.00 H ATOM 504 N ASP A 33 0.623 6.820 10.196 1.00 0.00 N ATOM 505 CA ASP A 33 -0.144 5.693 10.716 1.00 0.00 C ATOM 506 C ASP A 33 0.362 4.363 10.127 1.00 0.00 C ATOM 507 O ASP A 33 0.817 4.306 8.983 1.00 0.00 O ATOM 508 CB ASP A 33 -1.654 5.891 10.494 1.00 0.00 C ATOM 509 CG ASP A 33 -2.077 5.798 9.027 1.00 0.00 C ATOM 510 OD1 ASP A 33 -1.918 6.812 8.315 1.00 0.00 O ATOM 511 OD2 ASP A 33 -2.605 4.725 8.659 1.00 0.00 O ATOM 512 HA ASP A 33 0.011 5.647 11.794 1.00 0.00 H ATOM 513 HB2 ASP A 33 -2.188 5.125 11.056 1.00 0.00 H ATOM 514 HB3 ASP A 33 -1.931 6.876 10.871 1.00 0.00 H ATOM 515 H ASP A 33 1.159 6.666 9.318 1.00 0.00 H ATOM 516 N GLN A 34 0.263 3.290 10.923 1.00 0.00 N ATOM 517 CA GLN A 34 0.669 1.935 10.554 1.00 0.00 C ATOM 518 C GLN A 34 -0.254 1.321 9.486 1.00 0.00 C ATOM 519 O GLN A 34 0.231 0.631 8.592 1.00 0.00 O ATOM 520 CB GLN A 34 0.757 1.073 11.830 1.00 0.00 C ATOM 521 CG GLN A 34 1.018 -0.427 11.587 1.00 0.00 C ATOM 522 CD GLN A 34 2.221 -0.725 10.686 1.00 0.00 C ATOM 523 OE1 GLN A 34 3.227 -0.020 10.705 1.00 0.00 O ATOM 524 NE2 GLN A 34 2.132 -1.782 9.880 1.00 0.00 N ATOM 525 HA GLN A 34 1.655 1.972 10.090 1.00 0.00 H ATOM 526 HB2 GLN A 34 1.568 1.462 12.446 1.00 0.00 H ATOM 527 HB3 GLN A 34 -0.185 1.169 12.369 1.00 0.00 H ATOM 528 HG2 GLN A 34 1.189 -0.904 12.552 1.00 0.00 H ATOM 529 HG3 GLN A 34 0.130 -0.857 11.123 1.00 0.00 H ATOM 530 HE22 GLN A 34 1.271 -2.365 9.880 1.00 0.00 H ATOM 531 HE21 GLN A 34 2.924 -2.024 9.251 1.00 0.00 H ATOM 532 H GLN A 34 -0.132 3.432 11.875 1.00 0.00 H ATOM 533 N ASN A 35 -1.573 1.551 9.584 1.00 0.00 N ATOM 534 CA ASN A 35 -2.599 0.970 8.714 1.00 0.00 C ATOM 535 C ASN A 35 -2.337 1.238 7.221 1.00 0.00 C ATOM 536 O ASN A 35 -2.251 0.295 6.432 1.00 0.00 O ATOM 537 CB ASN A 35 -3.991 1.482 9.126 1.00 0.00 C ATOM 538 CG ASN A 35 -4.332 1.172 10.583 1.00 0.00 C ATOM 539 OD1 ASN A 35 -4.207 2.024 11.459 1.00 0.00 O ATOM 540 ND2 ASN A 35 -4.768 -0.057 10.844 1.00 0.00 N ATOM 541 HA ASN A 35 -2.558 -0.111 8.844 1.00 0.00 H ATOM 542 HB2 ASN A 35 -4.021 2.562 8.984 1.00 0.00 H ATOM 543 HB3 ASN A 35 -4.738 1.012 8.486 1.00 0.00 H ATOM 544 HD22 ASN A 35 -4.860 -0.750 10.074 1.00 0.00 H ATOM 545 HD21 ASN A 35 -5.017 -0.325 11.818 1.00 0.00 H ATOM 546 H ASN A 35 -1.892 2.193 10.338 1.00 0.00 H ATOM 547 N TRP A 36 -2.232 2.523 6.849 1.00 0.00 N ATOM 548 CA TRP A 36 -2.083 3.003 5.478 1.00 0.00 C ATOM 549 C TRP A 36 -0.788 3.817 5.333 1.00 0.00 C ATOM 550 O TRP A 36 -0.661 4.902 5.899 1.00 0.00 O ATOM 551 CB TRP A 36 -3.312 3.838 5.092 1.00 0.00 C ATOM 552 CG TRP A 36 -4.577 3.062 4.864 1.00 0.00 C ATOM 553 CD1 TRP A 36 -5.560 2.856 5.769 1.00 0.00 C ATOM 554 CD2 TRP A 36 -5.027 2.416 3.636 1.00 0.00 C ATOM 555 NE1 TRP A 36 -6.599 2.161 5.183 1.00 0.00 N ATOM 556 CE2 TRP A 36 -6.338 1.892 3.856 1.00 0.00 C ATOM 557 CE3 TRP A 36 -4.470 2.238 2.347 1.00 0.00 C ATOM 558 CZ2 TRP A 36 -7.075 1.265 2.834 1.00 0.00 C ATOM 559 CZ3 TRP A 36 -5.205 1.627 1.309 1.00 0.00 C ATOM 560 CH2 TRP A 36 -6.507 1.141 1.552 1.00 0.00 C ATOM 561 HA TRP A 36 -2.015 2.152 4.800 1.00 0.00 H ATOM 562 HB2 TRP A 36 -3.497 4.554 5.893 1.00 0.00 H ATOM 563 HB3 TRP A 36 -3.078 4.376 4.173 1.00 0.00 H ATOM 564 HE1 TRP A 36 -7.468 1.877 5.679 1.00 0.00 H ATOM 565 HD1 TRP A 36 -5.536 3.189 6.807 1.00 0.00 H ATOM 566 HZ2 TRP A 36 -8.075 0.880 3.033 1.00 0.00 H ATOM 567 HH2 TRP A 36 -7.072 0.670 0.748 1.00 0.00 H ATOM 568 HZ3 TRP A 36 -4.765 1.530 0.316 1.00 0.00 H ATOM 569 HE3 TRP A 36 -3.453 2.580 2.152 1.00 0.00 H ATOM 570 H TRP A 36 -2.259 3.239 7.603 1.00 0.00 H ATOM 571 N TYR A 37 0.157 3.298 4.538 1.00 0.00 N ATOM 572 CA TYR A 37 1.438 3.924 4.222 1.00 0.00 C ATOM 573 C TYR A 37 1.314 4.805 2.977 1.00 0.00 C ATOM 574 O TYR A 37 0.725 4.382 1.983 1.00 0.00 O ATOM 575 CB TYR A 37 2.484 2.830 3.951 1.00 0.00 C ATOM 576 CG TYR A 37 2.680 1.797 5.047 1.00 0.00 C ATOM 577 CD1 TYR A 37 2.696 2.190 6.402 1.00 0.00 C ATOM 578 CD2 TYR A 37 2.991 0.463 4.701 1.00 0.00 C ATOM 579 CE1 TYR A 37 3.148 1.294 7.393 1.00 0.00 C ATOM 580 CE2 TYR A 37 3.419 -0.443 5.697 1.00 0.00 C ATOM 581 CZ TYR A 37 3.544 -0.011 7.035 1.00 0.00 C ATOM 582 OH TYR A 37 4.060 -0.848 7.980 1.00 0.00 O ATOM 583 HA TYR A 37 1.742 4.541 5.068 1.00 0.00 H ATOM 584 HB3 TYR A 37 3.442 3.321 3.783 1.00 0.00 H ATOM 585 HB2 TYR A 37 2.184 2.301 3.046 1.00 0.00 H ATOM 586 HD2 TYR A 37 2.901 0.133 3.666 1.00 0.00 H ATOM 587 HE2 TYR A 37 3.652 -1.474 5.433 1.00 0.00 H ATOM 588 HE1 TYR A 37 3.191 1.610 8.435 1.00 0.00 H ATOM 589 HD1 TYR A 37 2.359 3.188 6.683 1.00 0.00 H ATOM 590 HH TYR A 37 4.075 -0.386 8.856 1.00 0.00 H ATOM 591 H TYR A 37 -0.038 2.371 4.110 1.00 0.00 H ATOM 592 N LYS A 38 1.924 5.998 3.004 1.00 0.00 N ATOM 593 CA LYS A 38 2.007 6.873 1.839 1.00 0.00 C ATOM 594 C LYS A 38 3.288 6.523 1.070 1.00 0.00 C ATOM 595 O LYS A 38 4.394 6.720 1.579 1.00 0.00 O ATOM 596 CB LYS A 38 1.943 8.350 2.262 1.00 0.00 C ATOM 597 CG LYS A 38 0.594 8.665 2.932 1.00 0.00 C ATOM 598 CD LYS A 38 0.441 10.140 3.338 1.00 0.00 C ATOM 599 CE LYS A 38 1.529 10.648 4.296 1.00 0.00 C ATOM 600 NZ LYS A 38 1.694 9.783 5.479 1.00 0.00 N ATOM 601 HA LYS A 38 1.155 6.719 1.177 1.00 0.00 H ATOM 602 HB2 LYS A 38 2.749 8.556 2.966 1.00 0.00 H ATOM 603 HB3 LYS A 38 2.061 8.981 1.381 1.00 0.00 H ATOM 604 HG2 LYS A 38 -0.205 8.414 2.234 1.00 0.00 H ATOM 605 HG3 LYS A 38 0.500 8.049 3.826 1.00 0.00 H ATOM 606 HD2 LYS A 38 0.471 10.748 2.434 1.00 0.00 H ATOM 607 HD3 LYS A 38 -0.527 10.262 3.825 1.00 0.00 H ATOM 608 HE2 LYS A 38 1.259 11.650 4.631 1.00 0.00 H ATOM 609 HE3 LYS A 38 2.476 10.689 3.758 1.00 0.00 H ATOM 610 HZ1 LYS A 38 0.798 9.743 6.006 1.00 0.00 H ATOM 611 HZ2 LYS A 38 1.960 8.826 5.172 1.00 0.00 H ATOM 612 HZ3 LYS A 38 2.440 10.172 6.090 1.00 0.00 H ATOM 613 H LYS A 38 2.358 6.314 3.895 1.00 0.00 H ATOM 614 N ALA A 39 3.119 5.956 -0.135 1.00 0.00 N ATOM 615 CA ALA A 39 4.182 5.351 -0.933 1.00 0.00 C ATOM 616 C ALA A 39 4.126 5.735 -2.423 1.00 0.00 C ATOM 617 O ALA A 39 3.219 6.430 -2.884 1.00 0.00 O ATOM 618 CB ALA A 39 4.104 3.829 -0.745 1.00 0.00 C ATOM 619 HA ALA A 39 5.139 5.736 -0.582 1.00 0.00 H ATOM 620 HB1 ALA A 39 4.238 3.587 0.309 1.00 0.00 H ATOM 621 HB2 ALA A 39 3.130 3.472 -1.080 1.00 0.00 H ATOM 622 HB3 ALA A 39 4.889 3.351 -1.331 1.00 0.00 H ATOM 623 H ALA A 39 2.157 5.947 -0.531 1.00 0.00 H ATOM 624 N GLU A 40 5.145 5.257 -3.146 1.00 0.00 N ATOM 625 CA GLU A 40 5.528 5.566 -4.515 1.00 0.00 C ATOM 626 C GLU A 40 5.797 4.246 -5.251 1.00 0.00 C ATOM 627 O GLU A 40 6.717 3.512 -4.887 1.00 0.00 O ATOM 628 CB GLU A 40 6.806 6.425 -4.453 1.00 0.00 C ATOM 629 CG GLU A 40 7.407 6.762 -5.827 1.00 0.00 C ATOM 630 CD GLU A 40 8.707 7.559 -5.694 1.00 0.00 C ATOM 631 OE1 GLU A 40 9.699 6.954 -5.228 1.00 0.00 O ATOM 632 OE2 GLU A 40 8.695 8.756 -6.056 1.00 0.00 O ATOM 633 HA GLU A 40 4.746 6.109 -5.045 1.00 0.00 H ATOM 634 HB2 GLU A 40 6.566 7.360 -3.946 1.00 0.00 H ATOM 635 HB3 GLU A 40 7.555 5.883 -3.876 1.00 0.00 H ATOM 636 HG2 GLU A 40 7.614 5.834 -6.360 1.00 0.00 H ATOM 637 HG3 GLU A 40 6.686 7.352 -6.393 1.00 0.00 H ATOM 638 H GLU A 40 5.750 4.565 -2.660 1.00 0.00 H ATOM 639 N LEU A 41 5.013 3.944 -6.297 1.00 0.00 N ATOM 640 CA LEU A 41 5.238 2.812 -7.181 1.00 0.00 C ATOM 641 C LEU A 41 6.477 3.080 -8.054 1.00 0.00 C ATOM 642 O LEU A 41 7.541 2.516 -7.813 1.00 0.00 O ATOM 643 CB LEU A 41 3.950 2.563 -7.997 1.00 0.00 C ATOM 644 CG LEU A 41 3.782 1.091 -8.379 1.00 0.00 C ATOM 645 CD1 LEU A 41 2.430 0.885 -9.074 1.00 0.00 C ATOM 646 CD2 LEU A 41 4.916 0.557 -9.267 1.00 0.00 C ATOM 647 HA LEU A 41 5.449 1.901 -6.620 1.00 0.00 H ATOM 648 HB2 LEU A 41 3.091 2.871 -7.400 1.00 0.00 H ATOM 649 HB3 LEU A 41 3.991 3.160 -8.908 1.00 0.00 H ATOM 650 HG LEU A 41 3.822 0.521 -7.451 1.00 0.00 H ATOM 651 HD21 LEU A 41 4.954 1.133 -10.191 1.00 0.00 H ATOM 652 HD22 LEU A 41 5.865 0.652 -8.739 1.00 0.00 H ATOM 653 HD23 LEU A 41 4.731 -0.492 -9.498 1.00 0.00 H ATOM 654 HD11 LEU A 41 1.627 1.176 -8.397 1.00 0.00 H ATOM 655 HD12 LEU A 41 2.388 1.498 -9.974 1.00 0.00 H ATOM 656 HD13 LEU A 41 2.317 -0.165 -9.343 1.00 0.00 H ATOM 657 H LEU A 41 4.195 4.557 -6.487 1.00 0.00 H ATOM 658 N ASN A 42 6.315 3.966 -9.045 1.00 0.00 N ATOM 659 CA ASN A 42 7.299 4.459 -10.001 1.00 0.00 C ATOM 660 C ASN A 42 6.703 5.678 -10.723 1.00 0.00 C ATOM 661 O ASN A 42 7.254 6.777 -10.672 1.00 0.00 O ATOM 662 CB ASN A 42 7.715 3.376 -11.023 1.00 0.00 C ATOM 663 CG ASN A 42 8.650 2.306 -10.458 1.00 0.00 C ATOM 664 OD1 ASN A 42 9.775 2.602 -10.064 1.00 0.00 O ATOM 665 ND2 ASN A 42 8.201 1.052 -10.429 1.00 0.00 N ATOM 666 HA ASN A 42 8.203 4.739 -9.460 1.00 0.00 H ATOM 667 HB2 ASN A 42 6.813 2.884 -11.387 1.00 0.00 H ATOM 668 HB3 ASN A 42 8.220 3.867 -11.855 1.00 0.00 H ATOM 669 HD22 ASN A 42 7.243 0.835 -10.770 1.00 0.00 H ATOM 670 HD21 ASN A 42 8.809 0.290 -10.065 1.00 0.00 H ATOM 671 H ASN A 42 5.356 4.356 -9.146 1.00 0.00 H ATOM 672 N GLY A 43 5.566 5.458 -11.395 1.00 0.00 N ATOM 673 CA GLY A 43 4.822 6.449 -12.166 1.00 0.00 C ATOM 674 C GLY A 43 3.900 7.341 -11.318 1.00 0.00 C ATOM 675 O GLY A 43 3.711 8.506 -11.664 1.00 0.00 O ATOM 676 HA3 GLY A 43 4.211 5.924 -12.900 1.00 0.00 H ATOM 677 HA2 GLY A 43 5.537 7.089 -12.683 1.00 0.00 H ATOM 678 H GLY A 43 5.178 4.494 -11.365 1.00 0.00 H ATOM 679 N LYS A 44 3.298 6.798 -10.245 1.00 0.00 N ATOM 680 CA LYS A 44 2.297 7.483 -9.419 1.00 0.00 C ATOM 681 C LYS A 44 2.397 7.098 -7.929 1.00 0.00 C ATOM 682 O LYS A 44 3.096 6.149 -7.562 1.00 0.00 O ATOM 683 CB LYS A 44 0.890 7.234 -10.000 1.00 0.00 C ATOM 684 CG LYS A 44 0.395 5.801 -9.750 1.00 0.00 C ATOM 685 CD LYS A 44 -0.897 5.496 -10.526 1.00 0.00 C ATOM 686 CE LYS A 44 -1.548 4.180 -10.071 1.00 0.00 C ATOM 687 NZ LYS A 44 -0.620 3.036 -10.159 1.00 0.00 N ATOM 688 HA LYS A 44 2.499 8.554 -9.451 1.00 0.00 H ATOM 689 HB2 LYS A 44 0.192 7.931 -9.537 1.00 0.00 H ATOM 690 HB3 LYS A 44 0.919 7.412 -11.075 1.00 0.00 H ATOM 691 HG2 LYS A 44 1.169 5.101 -10.065 1.00 0.00 H ATOM 692 HG3 LYS A 44 0.204 5.675 -8.684 1.00 0.00 H ATOM 693 HD2 LYS A 44 -1.603 6.311 -10.367 1.00 0.00 H ATOM 694 HD3 LYS A 44 -0.661 5.423 -11.588 1.00 0.00 H ATOM 695 HE2 LYS A 44 -2.413 3.980 -10.703 1.00 0.00 H ATOM 696 HE3 LYS A 44 -1.873 4.289 -9.036 1.00 0.00 H ATOM 697 HZ1 LYS A 44 -0.309 2.918 -11.144 1.00 0.00 H ATOM 698 HZ2 LYS A 44 0.206 3.214 -9.553 1.00 0.00 H ATOM 699 HZ3 LYS A 44 -1.105 2.172 -9.842 1.00 0.00 H ATOM 700 H LYS A 44 3.560 5.826 -9.983 1.00 0.00 H ATOM 701 N ASP A 45 1.674 7.851 -7.085 1.00 0.00 N ATOM 702 CA ASP A 45 1.757 7.827 -5.623 1.00 0.00 C ATOM 703 C ASP A 45 0.360 7.749 -4.979 1.00 0.00 C ATOM 704 O ASP A 45 -0.616 8.254 -5.535 1.00 0.00 O ATOM 705 CB ASP A 45 2.474 9.105 -5.149 1.00 0.00 C ATOM 706 CG ASP A 45 3.847 9.291 -5.796 1.00 0.00 C ATOM 707 OD1 ASP A 45 3.885 9.880 -6.899 1.00 0.00 O ATOM 708 OD2 ASP A 45 4.831 8.838 -5.177 1.00 0.00 O ATOM 709 HA ASP A 45 2.313 6.940 -5.319 1.00 0.00 H ATOM 710 HB2 ASP A 45 1.853 9.965 -5.397 1.00 0.00 H ATOM 711 HB3 ASP A 45 2.603 9.051 -4.068 1.00 0.00 H ATOM 712 H ASP A 45 0.992 8.512 -7.508 1.00 0.00 H ATOM 713 N GLY A 46 0.272 7.132 -3.790 1.00 0.00 N ATOM 714 CA GLY A 46 -0.955 7.082 -2.993 1.00 0.00 C ATOM 715 C GLY A 46 -0.837 6.202 -1.739 1.00 0.00 C ATOM 716 O GLY A 46 0.265 5.886 -1.290 1.00 0.00 O ATOM 717 HA3 GLY A 46 -1.756 6.687 -3.618 1.00 0.00 H ATOM 718 HA2 GLY A 46 -1.205 8.096 -2.681 1.00 0.00 H ATOM 719 H GLY A 46 1.122 6.664 -3.415 1.00 0.00 H ATOM 720 N PHE A 47 -1.991 5.800 -1.182 1.00 0.00 N ATOM 721 CA PHE A 47 -2.106 5.032 0.063 1.00 0.00 C ATOM 722 C PHE A 47 -2.081 3.514 -0.204 1.00 0.00 C ATOM 723 O PHE A 47 -2.705 3.038 -1.151 1.00 0.00 O ATOM 724 CB PHE A 47 -3.393 5.437 0.802 1.00 0.00 C ATOM 725 CG PHE A 47 -3.458 6.893 1.232 1.00 0.00 C ATOM 726 CD1 PHE A 47 -2.937 7.287 2.486 1.00 0.00 C ATOM 727 CD2 PHE A 47 -4.064 7.856 0.393 1.00 0.00 C ATOM 728 CE1 PHE A 47 -3.041 8.629 2.907 1.00 0.00 C ATOM 729 CE2 PHE A 47 -4.147 9.203 0.804 1.00 0.00 C ATOM 730 CZ PHE A 47 -3.638 9.590 2.063 1.00 0.00 C ATOM 731 HA PHE A 47 -1.245 5.262 0.691 1.00 0.00 H ATOM 732 HB2 PHE A 47 -4.238 5.242 0.142 1.00 0.00 H ATOM 733 HB3 PHE A 47 -3.480 4.817 1.694 1.00 0.00 H ATOM 734 HD2 PHE A 47 -4.468 7.557 -0.574 1.00 0.00 H ATOM 735 HE2 PHE A 47 -4.604 9.945 0.150 1.00 0.00 H ATOM 736 HZ PHE A 47 -3.706 10.630 2.383 1.00 0.00 H ATOM 737 HE1 PHE A 47 -2.660 8.924 3.885 1.00 0.00 H ATOM 738 HD1 PHE A 47 -2.454 6.552 3.129 1.00 0.00 H ATOM 739 H PHE A 47 -2.873 6.053 -1.672 1.00 0.00 H ATOM 740 N ILE A 48 -1.351 2.759 0.634 1.00 0.00 N ATOM 741 CA ILE A 48 -1.050 1.334 0.483 1.00 0.00 C ATOM 742 C ILE A 48 -1.346 0.590 1.801 1.00 0.00 C ATOM 743 O ILE A 48 -0.793 0.980 2.830 1.00 0.00 O ATOM 744 CB ILE A 48 0.440 1.177 0.097 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.867 -0.300 0.130 1.00 0.00 C ATOM 746 CG2 ILE A 48 0.721 1.865 -1.249 1.00 0.00 C ATOM 747 CD1 ILE A 48 2.124 -0.603 -0.693 1.00 0.00 C ATOM 748 HA ILE A 48 -1.675 0.904 -0.300 1.00 0.00 H ATOM 749 HB ILE A 48 1.057 1.682 0.840 1.00 0.00 H ATOM 750 HG12 ILE A 48 1.060 -0.579 1.166 1.00 0.00 H ATOM 751 HG13 ILE A 48 0.047 -0.903 -0.261 1.00 0.00 H ATOM 752 HD11 ILE A 48 1.945 -0.342 -1.736 1.00 0.00 H ATOM 753 HD12 ILE A 48 2.959 -0.017 -0.308 1.00 0.00 H ATOM 754 HD13 ILE A 48 2.359 -1.665 -0.618 1.00 0.00 H ATOM 755 HG21 ILE A 48 0.103 1.411 -2.024 1.00 0.00 H ATOM 756 HG22 ILE A 48 0.484 2.926 -1.170 1.00 0.00 H ATOM 757 HG23 ILE A 48 1.774 1.744 -1.504 1.00 0.00 H ATOM 758 H ILE A 48 -0.961 3.234 1.473 1.00 0.00 H ATOM 759 N PRO A 49 -2.150 -0.496 1.806 1.00 0.00 N ATOM 760 CA PRO A 49 -2.353 -1.330 2.991 1.00 0.00 C ATOM 761 C PRO A 49 -1.048 -1.976 3.485 1.00 0.00 C ATOM 762 O PRO A 49 -0.290 -2.529 2.687 1.00 0.00 O ATOM 763 CB PRO A 49 -3.352 -2.423 2.582 1.00 0.00 C ATOM 764 CG PRO A 49 -4.058 -1.835 1.367 1.00 0.00 C ATOM 765 CD PRO A 49 -2.955 -1.008 0.704 1.00 0.00 C ATOM 766 HA PRO A 49 -2.721 -0.717 3.814 1.00 0.00 H ATOM 767 HD3 PRO A 49 -2.351 -1.633 0.046 1.00 0.00 H ATOM 768 HD2 PRO A 49 -3.384 -0.187 0.130 1.00 0.00 H ATOM 769 HG3 PRO A 49 -4.896 -1.205 1.666 1.00 0.00 H ATOM 770 HG2 PRO A 49 -4.415 -2.621 0.701 1.00 0.00 H ATOM 771 HB2 PRO A 49 -2.833 -3.346 2.321 1.00 0.00 H ATOM 772 HB3 PRO A 49 -4.061 -2.621 3.385 1.00 0.00 H ATOM 773 N LYS A 50 -0.827 -1.962 4.807 1.00 0.00 N ATOM 774 CA LYS A 50 0.243 -2.705 5.479 1.00 0.00 C ATOM 775 C LYS A 50 0.272 -4.200 5.096 1.00 0.00 C ATOM 776 O LYS A 50 1.343 -4.774 4.902 1.00 0.00 O ATOM 777 CB LYS A 50 0.124 -2.513 7.004 1.00 0.00 C ATOM 778 CG LYS A 50 -1.194 -3.033 7.607 1.00 0.00 C ATOM 779 CD LYS A 50 -1.247 -2.798 9.123 1.00 0.00 C ATOM 780 CE LYS A 50 -2.634 -3.095 9.715 1.00 0.00 C ATOM 781 NZ LYS A 50 -3.038 -4.501 9.521 1.00 0.00 N ATOM 782 HA LYS A 50 1.195 -2.298 5.138 1.00 0.00 H ATOM 783 HB2 LYS A 50 0.950 -3.042 7.480 1.00 0.00 H ATOM 784 HB3 LYS A 50 0.202 -1.448 7.221 1.00 0.00 H ATOM 785 HG2 LYS A 50 -2.029 -2.513 7.138 1.00 0.00 H ATOM 786 HG3 LYS A 50 -1.277 -4.102 7.410 1.00 0.00 H ATOM 787 HD2 LYS A 50 -0.515 -3.447 9.604 1.00 0.00 H ATOM 788 HD3 LYS A 50 -0.996 -1.757 9.325 1.00 0.00 H ATOM 789 HE2 LYS A 50 -3.367 -2.450 9.231 1.00 0.00 H ATOM 790 HE3 LYS A 50 -2.612 -2.881 10.784 1.00 0.00 H ATOM 791 HZ1 LYS A 50 -3.070 -4.714 8.504 1.00 0.00 H ATOM 792 HZ2 LYS A 50 -2.349 -5.126 9.986 1.00 0.00 H ATOM 793 HZ3 LYS A 50 -3.979 -4.651 9.937 1.00 0.00 H ATOM 794 H LYS A 50 -1.459 -1.384 5.397 1.00 0.00 H ATOM 795 N ASN A 51 -0.911 -4.823 4.989 1.00 0.00 N ATOM 796 CA ASN A 51 -1.107 -6.247 4.717 1.00 0.00 C ATOM 797 C ASN A 51 -0.658 -6.655 3.303 1.00 0.00 C ATOM 798 O ASN A 51 -0.095 -7.736 3.130 1.00 0.00 O ATOM 799 CB ASN A 51 -2.590 -6.603 4.930 1.00 0.00 C ATOM 800 CG ASN A 51 -3.044 -6.392 6.374 1.00 0.00 C ATOM 801 OD1 ASN A 51 -3.539 -5.327 6.735 1.00 0.00 O ATOM 802 ND2 ASN A 51 -2.874 -7.412 7.214 1.00 0.00 N ATOM 803 HA ASN A 51 -0.479 -6.805 5.412 1.00 0.00 H ATOM 804 HB2 ASN A 51 -3.197 -5.975 4.278 1.00 0.00 H ATOM 805 HB3 ASN A 51 -2.739 -7.650 4.666 1.00 0.00 H ATOM 806 HD22 ASN A 51 -2.452 -8.300 6.875 1.00 0.00 H ATOM 807 HD21 ASN A 51 -3.164 -7.320 8.209 1.00 0.00 H ATOM 808 H ASN A 51 -1.765 -4.242 5.110 1.00 0.00 H ATOM 809 N TYR A 52 -0.940 -5.819 2.291 1.00 0.00 N ATOM 810 CA TYR A 52 -0.775 -6.150 0.874 1.00 0.00 C ATOM 811 C TYR A 52 0.692 -6.262 0.414 1.00 0.00 C ATOM 812 O TYR A 52 0.955 -6.924 -0.592 1.00 0.00 O ATOM 813 CB TYR A 52 -1.580 -5.164 -0.002 1.00 0.00 C ATOM 814 CG TYR A 52 -3.056 -5.512 -0.183 1.00 0.00 C ATOM 815 CD1 TYR A 52 -3.884 -5.733 0.942 1.00 0.00 C ATOM 816 CD2 TYR A 52 -3.585 -5.722 -1.481 1.00 0.00 C ATOM 817 CE1 TYR A 52 -5.221 -6.145 0.775 1.00 0.00 C ATOM 818 CE2 TYR A 52 -4.924 -6.135 -1.646 1.00 0.00 C ATOM 819 CZ TYR A 52 -5.742 -6.350 -0.518 1.00 0.00 C ATOM 820 OH TYR A 52 -7.034 -6.757 -0.676 1.00 0.00 O ATOM 821 HA TYR A 52 -1.179 -7.154 0.744 1.00 0.00 H ATOM 822 HB3 TYR A 52 -1.117 -5.133 -0.988 1.00 0.00 H ATOM 823 HB2 TYR A 52 -1.520 -4.177 0.457 1.00 0.00 H ATOM 824 HD2 TYR A 52 -2.954 -5.564 -2.356 1.00 0.00 H ATOM 825 HE2 TYR A 52 -5.327 -6.288 -2.647 1.00 0.00 H ATOM 826 HE1 TYR A 52 -5.854 -6.305 1.648 1.00 0.00 H ATOM 827 HD1 TYR A 52 -3.485 -5.584 1.945 1.00 0.00 H ATOM 828 HH TYR A 52 -7.458 -6.858 0.213 1.00 0.00 H ATOM 829 H TYR A 52 -1.300 -4.873 2.529 1.00 0.00 H ATOM 830 N ILE A 53 1.634 -5.629 1.130 1.00 0.00 N ATOM 831 CA ILE A 53 3.063 -5.601 0.808 1.00 0.00 C ATOM 832 C ILE A 53 3.874 -6.442 1.812 1.00 0.00 C ATOM 833 O ILE A 53 3.473 -6.602 2.966 1.00 0.00 O ATOM 834 CB ILE A 53 3.536 -4.126 0.739 1.00 0.00 C ATOM 835 CG1 ILE A 53 3.927 -3.560 2.120 1.00 0.00 C ATOM 836 CG2 ILE A 53 4.678 -3.964 -0.277 1.00 0.00 C ATOM 837 CD1 ILE A 53 4.077 -2.034 2.144 1.00 0.00 C ATOM 838 HA ILE A 53 3.233 -6.057 -0.168 1.00 0.00 H ATOM 839 HB ILE A 53 2.686 -3.537 0.396 1.00 0.00 H ATOM 840 HG12 ILE A 53 3.156 -3.841 2.838 1.00 0.00 H ATOM 841 HG13 ILE A 53 4.877 -4.004 2.417 1.00 0.00 H ATOM 842 HD11 ILE A 53 4.853 -1.735 1.440 1.00 0.00 H ATOM 843 HD12 ILE A 53 3.131 -1.573 1.861 1.00 0.00 H ATOM 844 HD13 ILE A 53 4.353 -1.713 3.148 1.00 0.00 H ATOM 845 HG21 ILE A 53 5.520 -4.589 0.021 1.00 0.00 H ATOM 846 HG22 ILE A 53 4.330 -4.268 -1.264 1.00 0.00 H ATOM 847 HG23 ILE A 53 4.991 -2.920 -0.306 1.00 0.00 H ATOM 848 H ILE A 53 1.325 -5.118 1.981 1.00 0.00 H ATOM 849 N GLU A 54 5.040 -6.945 1.382 1.00 0.00 N ATOM 850 CA GLU A 54 6.015 -7.626 2.231 1.00 0.00 C ATOM 851 C GLU A 54 6.849 -6.583 2.999 1.00 0.00 C ATOM 852 O GLU A 54 8.043 -6.409 2.756 1.00 0.00 O ATOM 853 CB GLU A 54 6.874 -8.576 1.373 1.00 0.00 C ATOM 854 CG GLU A 54 7.730 -9.526 2.235 1.00 0.00 C ATOM 855 CD GLU A 54 6.921 -10.469 3.133 1.00 0.00 C ATOM 856 OE1 GLU A 54 5.827 -10.892 2.698 1.00 0.00 O ATOM 857 OE2 GLU A 54 7.413 -10.757 4.247 1.00 0.00 O ATOM 858 HA GLU A 54 5.512 -8.241 2.977 1.00 0.00 H ATOM 859 HB2 GLU A 54 6.215 -9.172 0.742 1.00 0.00 H ATOM 860 HB3 GLU A 54 7.536 -7.980 0.744 1.00 0.00 H ATOM 861 HG2 GLU A 54 8.343 -10.132 1.568 1.00 0.00 H ATOM 862 HG3 GLU A 54 8.376 -8.921 2.871 1.00 0.00 H ATOM 863 H GLU A 54 5.267 -6.843 0.372 1.00 0.00 H ATOM 864 N MET A 55 6.191 -5.874 3.926 1.00 0.00 N ATOM 865 CA MET A 55 6.770 -4.806 4.745 1.00 0.00 C ATOM 866 C MET A 55 7.900 -5.301 5.664 1.00 0.00 C ATOM 867 O MET A 55 8.866 -4.576 5.900 1.00 0.00 O ATOM 868 CB MET A 55 5.665 -4.076 5.535 1.00 0.00 C ATOM 869 CG MET A 55 4.811 -4.987 6.432 1.00 0.00 C ATOM 870 SD MET A 55 3.611 -4.102 7.461 1.00 0.00 S ATOM 871 CE MET A 55 2.704 -5.504 8.161 1.00 0.00 C ATOM 872 HA MET A 55 7.236 -4.093 4.065 1.00 0.00 H ATOM 873 HB2 MET A 55 6.138 -3.324 6.166 1.00 0.00 H ATOM 874 HB3 MET A 55 5.004 -3.585 4.821 1.00 0.00 H ATOM 875 HG2 MET A 55 5.479 -5.545 7.088 1.00 0.00 H ATOM 876 HG3 MET A 55 4.267 -5.683 5.794 1.00 0.00 H ATOM 877 HE1 MET A 55 2.255 -6.084 7.355 1.00 0.00 H ATOM 878 HE2 MET A 55 3.391 -6.135 8.724 1.00 0.00 H ATOM 879 HE3 MET A 55 1.922 -5.134 8.824 1.00 0.00 H ATOM 880 H MET A 55 5.187 -6.100 4.077 1.00 0.00 H ATOM 881 N LYS A 56 7.765 -6.528 6.184 1.00 0.00 N ATOM 882 CA LYS A 56 8.722 -7.209 7.051 1.00 0.00 C ATOM 883 C LYS A 56 8.801 -8.683 6.628 1.00 0.00 C ATOM 884 O LYS A 56 9.891 -9.189 6.373 1.00 0.00 O ATOM 885 CB LYS A 56 8.306 -7.056 8.527 1.00 0.00 C ATOM 886 CG LYS A 56 8.250 -5.582 8.966 1.00 0.00 C ATOM 887 CD LYS A 56 7.951 -5.450 10.468 1.00 0.00 C ATOM 888 CE LYS A 56 7.674 -3.994 10.879 1.00 0.00 C ATOM 889 NZ LYS A 56 8.824 -3.107 10.620 1.00 0.00 N ATOM 890 HA LYS A 56 9.711 -6.763 6.951 1.00 0.00 H ATOM 891 OXT LYS A 56 7.613 -9.344 6.527 1.00 0.00 O ATOM 892 HB2 LYS A 56 7.320 -7.500 8.662 1.00 0.00 H ATOM 893 HB3 LYS A 56 9.028 -7.581 9.152 1.00 0.00 H ATOM 894 HG2 LYS A 56 9.211 -5.113 8.754 1.00 0.00 H ATOM 895 HG3 LYS A 56 7.467 -5.074 8.403 1.00 0.00 H ATOM 896 HD2 LYS A 56 7.076 -6.055 10.707 1.00 0.00 H ATOM 897 HD3 LYS A 56 8.809 -5.817 11.031 1.00 0.00 H ATOM 898 HE2 LYS A 56 7.445 -3.968 11.944 1.00 0.00 H ATOM 899 HE3 LYS A 56 6.816 -3.628 10.315 1.00 0.00 H ATOM 900 HZ1 LYS A 56 9.647 -3.442 11.160 1.00 0.00 H ATOM 901 HZ2 LYS A 56 9.046 -3.117 9.604 1.00 0.00 H ATOM 902 HZ3 LYS A 56 8.586 -2.138 10.914 1.00 0.00 H ATOM 903 H LYS A 56 6.894 -7.045 5.947 1.00 0.00 H TER 904 LYS A 56 HETATM 905 N VAL A 1 -8.245 -17.467 4.646 1.00 0.24 N HETATM 906 CA VAL A 1 -8.577 -16.067 4.997 1.00 0.07 C HETATM 907 C VAL A 1 -7.809 -15.081 4.093 1.00 0.23 C HETATM 908 O VAL A 1 -6.586 -15.191 4.001 1.00 -0.39 O HETATM 909 N VAL A 1 -8.493 -14.137 3.414 1.00 -0.25 N HETATM 910 CA VAL A 1 -7.873 -13.206 2.474 1.00 0.13 C HETATM 911 C VAL A 1 -7.145 -12.059 3.206 1.00 0.21 C HETATM 912 O VAL A 1 -7.468 -11.763 4.358 1.00 -0.39 O HETATM 913 N VAL A 1 -6.173 -11.394 2.550 1.00 -0.25 N HETATM 914 CA VAL A 1 -5.440 -10.260 3.109 1.00 0.13 C HETATM 915 C VAL A 1 -6.387 -9.052 3.272 1.00 0.21 C HETATM 916 O VAL A 1 -6.962 -8.603 2.280 1.00 -0.39 O HETATM 917 N VAL A 1 -6.593 -8.534 4.501 1.00 -0.25 N HETATM 918 CA VAL A 1 -7.587 -7.502 4.782 1.00 0.13 C HETATM 919 C VAL A 1 -7.093 -6.099 4.386 1.00 0.20 C HETATM 920 O VAL A 1 -5.893 -5.822 4.401 1.00 -0.39 O HETATM 921 N VAL A 1 -8.045 -5.211 4.062 1.00 -0.26 N HETATM 922 CA VAL A 1 -7.826 -3.794 3.775 1.00 0.13 C HETATM 923 C VAL A 1 -8.292 -2.985 5.004 1.00 0.21 C HETATM 924 O VAL A 1 -9.491 -2.976 5.288 1.00 -0.39 O HETATM 925 N VAL A 1 -7.392 -2.287 5.729 1.00 -0.25 N HETATM 926 CA VAL A 1 -7.746 -1.445 6.875 1.00 0.13 C HETATM 927 C VAL A 1 -8.692 -0.281 6.511 1.00 0.21 C HETATM 928 O VAL A 1 -8.733 0.131 5.352 1.00 -0.39 O HETATM 929 N VAL A 1 -9.423 0.298 7.483 1.00 -0.25 N HETATM 930 CA VAL A 1 -10.237 1.494 7.270 1.00 0.13 C HETATM 931 C VAL A 1 -9.340 2.724 7.037 1.00 0.20 C HETATM 932 O VAL A 1 -8.309 2.877 7.694 1.00 -0.39 O HETATM 933 N VAL A 1 -9.723 3.595 6.090 1.00 -0.26 N HETATM 934 CA VAL A 1 -8.950 4.783 5.708 1.00 0.13 C HETATM 935 C VAL A 1 -8.789 5.807 6.845 1.00 0.20 C HETATM 936 O VAL A 1 -7.773 6.500 6.883 1.00 -0.39 O HETATM 937 N VAL A 1 -9.774 5.891 7.756 1.00 -0.26 N HETATM 938 CA VAL A 1 -9.788 6.732 8.957 1.00 0.13 C HETATM 939 C VAL A 1 -10.253 8.161 8.631 1.00 0.20 C HETATM 940 O VAL A 1 -9.740 8.786 7.703 1.00 -0.39 O HETATM 941 N VAL A 1 -11.218 8.678 9.406 1.00 -0.27 N HETATM 942 CA VAL A 1 -11.710 10.054 9.306 1.00 0.09 C HETATM 943 C VAL A 1 -10.720 11.065 9.914 1.00 0.06 C HETATM 944 O VAL A 1 -10.675 12.199 9.389 1.00 -0.57 O HETATM 945 OXT VAL A 1 -10.039 10.703 10.901 1.00 -0.57 O HETATM 946 CB VAL A 1 -13.112 10.168 9.935 1.00 -0.01 C HETATM 947 CG VAL A 1 -13.139 9.927 11.456 1.00 -0.02 C HETATM 948 CD VAL A 1 -14.559 10.052 12.032 1.00 0.06 C HETATM 949 NE VAL A 1 -15.485 9.053 11.468 1.00 -0.27 N HETATM 950 CZ VAL A 1 -15.534 7.745 11.776 1.00 0.29 C HETATM 951 NH1 VAL A 1 -14.713 7.209 12.686 1.00 -0.28 N HETATM 952 H91 VAL A 1 -14.771 6.204 12.903 1.00 0.26 H HETATM 953 H92 VAL A 1 -14.023 7.801 13.169 1.00 0.26 H HETATM 954 NH2 VAL A 1 -16.422 6.958 11.161 1.00 -0.28 N HETATM 955 H93 VAL A 1 -17.062 7.355 10.458 1.00 0.26 H HETATM 956 H94 VAL A 1 -16.467 5.955 11.390 1.00 0.26 H HETATM 957 H90 VAL A 1 -16.162 9.390 10.769 1.00 0.26 H HETATM 958 H88 VAL A 1 -14.944 11.057 11.807 1.00 0.07 H HETATM 959 H89 VAL A 1 -14.511 9.913 13.122 1.00 0.07 H HETATM 960 H86 VAL A 1 -12.491 10.669 11.945 1.00 0.03 H HETATM 961 H87 VAL A 1 -12.759 8.915 11.662 1.00 0.03 H HETATM 962 H84 VAL A 1 -13.767 9.426 9.456 1.00 0.03 H HETATM 963 H85 VAL A 1 -13.498 11.179 9.738 1.00 0.03 H HETATM 964 H83 VAL A 1 -11.806 10.295 8.237 1.00 0.07 H HETATM 965 H82 VAL A 1 -11.629 8.085 10.098 1.00 0.19 H HETATM 966 CB VAL A 1 -8.420 6.722 9.669 1.00 -0.01 C HETATM 967 CG VAL A 1 -8.498 7.123 11.151 1.00 -0.02 C HETATM 968 CD VAL A 1 -7.099 7.289 11.770 1.00 0.06 C HETATM 969 NE VAL A 1 -6.257 6.090 11.583 1.00 -0.27 N HETATM 970 CZ VAL A 1 -5.375 5.867 10.591 1.00 0.29 C HETATM 971 NH1 VAL A 1 -5.099 6.790 9.662 1.00 -0.28 N HETATM 972 H78 VAL A 1 -4.418 6.584 8.917 1.00 0.26 H HETATM 973 H79 VAL A 1 -5.568 7.707 9.692 1.00 0.26 H HETATM 974 NH2 VAL A 1 -4.754 4.688 10.516 1.00 -0.28 N HETATM 975 H80 VAL A 1 -4.947 3.959 11.217 1.00 0.26 H HETATM 976 H81 VAL A 1 -4.082 4.507 9.757 1.00 0.26 H HETATM 977 H77 VAL A 1 -6.355 5.345 12.287 1.00 0.26 H HETATM 978 H75 VAL A 1 -7.209 7.479 12.848 1.00 0.07 H HETATM 979 H76 VAL A 1 -6.602 8.148 11.295 1.00 0.07 H HETATM 980 H73 VAL A 1 -9.042 6.343 11.703 1.00 0.03 H HETATM 981 H74 VAL A 1 -9.040 8.076 11.234 1.00 0.03 H HETATM 982 H71 VAL A 1 -7.753 7.428 9.152 1.00 0.03 H HETATM 983 H72 VAL A 1 -8.001 5.707 9.604 1.00 0.03 H HETATM 984 H70 VAL A 1 -10.522 6.300 9.653 1.00 0.08 H HETATM 985 H69 VAL A 1 -10.580 5.321 7.598 1.00 0.19 H HETATM 986 CB VAL A 1 -9.543 5.445 4.452 1.00 -0.01 C HETATM 987 CG VAL A 1 -9.562 4.488 3.246 1.00 -0.02 C HETATM 988 CD VAL A 1 -9.406 5.240 1.919 1.00 0.06 C HETATM 989 NE VAL A 1 -10.482 6.216 1.683 1.00 -0.27 N HETATM 990 CZ VAL A 1 -10.481 7.159 0.723 1.00 0.29 C HETATM 991 NH1 VAL A 1 -9.437 7.327 -0.094 1.00 -0.28 N HETATM 992 H65 VAL A 1 -9.464 8.057 -0.820 1.00 0.26 H HETATM 993 H66 VAL A 1 -8.606 6.726 0.003 1.00 0.26 H HETATM 994 NH2 VAL A 1 -11.544 7.954 0.573 1.00 -0.28 N HETATM 995 H67 VAL A 1 -12.361 7.844 1.191 1.00 0.26 H HETATM 996 H68 VAL A 1 -11.547 8.677 -0.160 1.00 0.26 H HETATM 997 H64 VAL A 1 -11.303 6.174 2.304 1.00 0.26 H HETATM 998 H62 VAL A 1 -9.410 4.508 1.098 1.00 0.07 H HETATM 999 H63 VAL A 1 -8.444 5.774 1.929 1.00 0.07 H HETATM 1000 H60 VAL A 1 -10.519 3.945 3.237 1.00 0.03 H HETATM 1001 H61 VAL A 1 -8.735 3.771 3.348 1.00 0.03 H HETATM 1002 H58 VAL A 1 -8.937 6.326 4.196 1.00 0.03 H HETATM 1003 H59 VAL A 1 -10.574 5.760 4.671 1.00 0.03 H HETATM 1004 H57 VAL A 1 -7.939 4.435 5.449 1.00 0.08 H HETATM 1005 H56 VAL A 1 -10.587 3.424 5.616 1.00 0.19 H HETATM 1006 CB VAL A 1 -11.085 1.634 8.541 1.00 -0.01 C HETATM 1007 CG VAL A 1 -10.193 1.017 9.620 1.00 -0.03 C HETATM 1008 CD VAL A 1 -9.492 -0.123 8.876 1.00 0.04 C HETATM 1009 H54 VAL A 1 -8.481 -0.280 9.280 1.00 0.05 H HETATM 1010 H55 VAL A 1 -10.071 -1.054 8.967 1.00 0.05 H HETATM 1011 H52 VAL A 1 -10.794 0.632 10.457 1.00 0.03 H HETATM 1012 H53 VAL A 1 -9.464 1.750 9.998 1.00 0.03 H HETATM 1013 H50 VAL A 1 -12.032 1.082 8.447 1.00 0.03 H HETATM 1014 H51 VAL A 1 -11.297 2.691 8.760 1.00 0.03 H HETATM 1015 H49 VAL A 1 -10.891 1.359 6.396 1.00 0.08 H HETATM 1016 CB VAL A 1 -6.410 -0.908 7.412 1.00 -0.01 C HETATM 1017 CG VAL A 1 -5.385 -1.937 6.947 1.00 -0.03 C HETATM 1018 CD VAL A 1 -5.944 -2.358 5.590 1.00 0.04 C HETATM 1019 H47 VAL A 1 -5.599 -1.672 4.802 1.00 0.05 H HETATM 1020 H48 VAL A 1 -5.631 -3.384 5.346 1.00 0.05 H HETATM 1021 H45 VAL A 1 -5.334 -2.790 7.639 1.00 0.03 H HETATM 1022 H46 VAL A 1 -4.386 -1.487 6.845 1.00 0.03 H HETATM 1023 H43 VAL A 1 -6.428 -0.843 8.510 1.00 0.03 H HETATM 1024 H44 VAL A 1 -6.189 0.083 6.989 1.00 0.03 H HETATM 1025 H42 VAL A 1 -8.237 -2.062 7.642 1.00 0.08 H HETATM 1026 CB VAL A 1 -8.610 -3.403 2.499 1.00 -0.01 C HETATM 1027 CG1 VAL A 1 -8.473 -1.902 2.199 1.00 -0.06 C HETATM 1028 H36 VAL A 1 -9.040 -1.657 1.289 1.00 0.02 H HETATM 1029 H37 VAL A 1 -7.412 -1.653 2.048 1.00 0.02 H HETATM 1030 H38 VAL A 1 -8.869 -1.321 3.045 1.00 0.02 H HETATM 1031 CG2 VAL A 1 -8.115 -4.194 1.275 1.00 -0.06 C HETATM 1032 H39 VAL A 1 -8.207 -5.272 1.474 1.00 0.02 H HETATM 1033 H40 VAL A 1 -7.061 -3.945 1.079 1.00 0.02 H HETATM 1034 H41 VAL A 1 -8.723 -3.930 0.397 1.00 0.02 H HETATM 1035 H35 VAL A 1 -9.672 -3.635 2.664 1.00 0.03 H HETATM 1036 H34 VAL A 1 -6.755 -3.611 3.606 1.00 0.08 H HETATM 1037 H33 VAL A 1 -8.986 -5.547 4.013 1.00 0.19 H HETATM 1038 CB VAL A 1 -7.843 -7.600 6.291 1.00 -0.01 C HETATM 1039 CG VAL A 1 -6.479 -8.029 6.832 1.00 -0.03 C HETATM 1040 CD VAL A 1 -5.966 -8.974 5.742 1.00 0.04 C HETATM 1041 H31 VAL A 1 -4.871 -8.906 5.662 1.00 0.05 H HETATM 1042 H32 VAL A 1 -6.254 -10.011 5.969 1.00 0.05 H HETATM 1043 H29 VAL A 1 -6.581 -8.552 7.794 1.00 0.03 H HETATM 1044 H30 VAL A 1 -5.811 -7.164 6.954 1.00 0.03 H HETATM 1045 H27 VAL A 1 -8.614 -8.352 6.515 1.00 0.03 H HETATM 1046 H28 VAL A 1 -8.147 -6.628 6.706 1.00 0.03 H HETATM 1047 H26 VAL A 1 -8.514 -7.716 4.229 1.00 0.08 H HETATM 1048 CB VAL A 1 -4.301 -9.980 2.117 1.00 -0.01 C HETATM 1049 CG VAL A 1 -4.853 -10.488 0.784 1.00 -0.03 C HETATM 1050 CD VAL A 1 -5.716 -11.681 1.197 1.00 0.04 C HETATM 1051 H24 VAL A 1 -6.574 -11.786 0.517 1.00 0.05 H HETATM 1052 H25 VAL A 1 -5.122 -12.607 1.182 1.00 0.05 H HETATM 1053 H22 VAL A 1 -4.039 -10.803 0.114 1.00 0.03 H HETATM 1054 H23 VAL A 1 -5.459 -9.716 0.288 1.00 0.03 H HETATM 1055 H20 VAL A 1 -3.390 -10.528 2.400 1.00 0.03 H HETATM 1056 H21 VAL A 1 -4.080 -8.904 2.066 1.00 0.03 H HETATM 1057 H19 VAL A 1 -5.022 -10.522 4.092 1.00 0.08 H HETATM 1058 CB VAL A 1 -9.037 -12.685 1.619 1.00 -0.01 C HETATM 1059 CG VAL A 1 -10.208 -12.687 2.601 1.00 -0.03 C HETATM 1060 CD VAL A 1 -9.934 -13.918 3.469 1.00 0.04 C HETATM 1061 H17 VAL A 1 -10.253 -13.733 4.505 1.00 0.05 H HETATM 1062 H18 VAL A 1 -10.469 -14.793 3.071 1.00 0.05 H HETATM 1063 H15 VAL A 1 -11.167 -12.784 2.071 1.00 0.03 H HETATM 1064 H16 VAL A 1 -10.215 -11.770 3.208 1.00 0.03 H HETATM 1065 H13 VAL A 1 -9.233 -13.353 0.768 1.00 0.03 H HETATM 1066 H14 VAL A 1 -8.833 -11.670 1.249 1.00 0.03 H HETATM 1067 H12 VAL A 1 -7.147 -13.736 1.840 1.00 0.08 H HETATM 1068 CB VAL A 1 -8.330 -15.794 6.498 1.00 0.01 C HETATM 1069 CG1 VAL A 1 -8.505 -14.313 6.884 1.00 -0.06 C HETATM 1070 H6 VAL A 1 -8.316 -14.190 7.960 1.00 0.02 H HETATM 1071 H7 VAL A 1 -9.532 -13.993 6.653 1.00 0.02 H HETATM 1072 H8 VAL A 1 -7.793 -13.699 6.314 1.00 0.02 H HETATM 1073 CG2 VAL A 1 -9.292 -16.631 7.358 1.00 -0.06 C HETATM 1074 H9 VAL A 1 -9.184 -17.695 7.099 1.00 0.02 H HETATM 1075 H10 VAL A 1 -10.327 -16.310 7.168 1.00 0.02 H HETATM 1076 H11 VAL A 1 -9.053 -16.487 8.422 1.00 0.02 H HETATM 1077 H5 VAL A 1 -7.296 -16.091 6.729 1.00 0.04 H HETATM 1078 H4 VAL A 1 -9.651 -15.921 4.808 1.00 0.11 H HETATM 1079 H1 VAL A 1 -8.415 -17.616 3.664 1.00 0.20 H HETATM 1080 H2 VAL A 1 -8.820 -18.094 5.186 1.00 0.20 H HETATM 1081 H3 VAL A 1 -7.274 -17.643 4.849 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 905 906 1079 1080 1081 CONECT 906 905 907 1068 1078 CONECT 907 906 908 909 CONECT 908 907 CONECT 909 907 910 1060 CONECT 910 909 911 1058 1067 CONECT 911 910 912 913 CONECT 912 911 CONECT 913 911 914 1050 CONECT 914 913 915 1048 1057 CONECT 915 914 916 917 CONECT 916 915 CONECT 917 915 918 1040 CONECT 918 917 919 1038 1047 CONECT 919 918 920 921 CONECT 920 919 CONECT 921 919 922 1037 CONECT 922 921 923 1026 1036 CONECT 923 922 924 925 CONECT 924 923 CONECT 925 923 926 1018 CONECT 926 925 927 1016 1025 CONECT 927 926 928 929 CONECT 928 927 CONECT 929 927 930 1008 CONECT 930 929 931 1006 1015 CONECT 931 930 932 933 CONECT 932 931 CONECT 933 931 934 1005 CONECT 934 933 935 986 1004 CONECT 935 934 936 937 CONECT 936 935 CONECT 937 935 938 985 CONECT 938 937 939 966 984 CONECT 939 938 940 941 CONECT 940 939 CONECT 941 939 942 965 CONECT 942 941 943 946 964 CONECT 943 942 944 945 CONECT 944 943 CONECT 945 943 CONECT 946 942 947 962 963 CONECT 947 946 948 960 961 CONECT 948 947 949 958 959 CONECT 949 948 950 957 CONECT 950 949 951 954 CONECT 951 950 952 953 CONECT 952 951 CONECT 953 951 CONECT 954 950 955 956 CONECT 955 954 CONECT 956 954 CONECT 957 949 CONECT 958 948 CONECT 959 948 CONECT 960 947 CONECT 961 947 CONECT 962 946 CONECT 963 946 CONECT 964 942 CONECT 965 941 CONECT 966 938 967 982 983 CONECT 967 966 968 980 981 CONECT 968 967 969 978 979 CONECT 969 968 970 977 CONECT 970 969 971 974 CONECT 971 970 972 973 CONECT 972 971 CONECT 973 971 CONECT 974 970 975 976 CONECT 975 974 CONECT 976 974 CONECT 977 969 CONECT 978 968 CONECT 979 968 CONECT 980 967 CONECT 981 967 CONECT 982 966 CONECT 983 966 CONECT 984 938 CONECT 985 937 CONECT 986 934 987 1002 1003 CONECT 987 986 988 1000 1001 CONECT 988 987 989 998 999 CONECT 989 988 990 997 CONECT 990 989 991 994 CONECT 991 990 992 993 CONECT 992 991 CONECT 993 991 CONECT 994 990 995 996 CONECT 995 994 CONECT 996 994 CONECT 997 989 CONECT 998 988 CONECT 999 988 CONECT 1000 987 CONECT 1001 987 CONECT 1002 986 CONECT 1003 986 CONECT 1004 934 CONECT 1005 933 CONECT 1006 930 1007 1013 1014 CONECT 1007 1006 1008 1011 1012 CONECT 1008 929 1007 1009 1010 CONECT 1009 1008 CONECT 1010 1008 CONECT 1011 1007 CONECT 1012 1007 CONECT 1013 1006 CONECT 1014 1006 CONECT 1015 930 CONECT 1016 926 1017 1023 1024 CONECT 1017 1016 1018 1021 1022 CONECT 1018 925 1017 1019 1020 CONECT 1019 1018 CONECT 1020 1018 CONECT 1021 1017 CONECT 1022 1017 CONECT 1023 1016 CONECT 1024 1016 CONECT 1025 926 CONECT 1026 922 1027 1031 1035 CONECT 1027 1026 1028 1029 1030 CONECT 1028 1027 CONECT 1029 1027 CONECT 1030 1027 CONECT 1031 1026 1032 1033 1034 CONECT 1032 1031 CONECT 1033 1031 CONECT 1034 1031 CONECT 1035 1026 CONECT 1036 922 CONECT 1037 921 CONECT 1038 918 1039 1045 1046 CONECT 1039 1038 1040 1043 1044 CONECT 1040 917 1039 1041 1042 CONECT 1041 1040 CONECT 1042 1040 CONECT 1043 1039 CONECT 1044 1039 CONECT 1045 1038 CONECT 1046 1038 CONECT 1047 918 CONECT 1048 914 1049 1055 1056 CONECT 1049 1048 1050 1053 1054 CONECT 1050 913 1049 1051 1052 CONECT 1051 1050 CONECT 1052 1050 CONECT 1053 1049 CONECT 1054 1049 CONECT 1055 1048 CONECT 1056 1048 CONECT 1057 914 CONECT 1058 910 1059 1065 1066 CONECT 1059 1058 1060 1063 1064 CONECT 1060 909 1059 1061 1062 CONECT 1061 1060 CONECT 1062 1060 CONECT 1063 1059 CONECT 1064 1059 CONECT 1065 1058 CONECT 1066 1058 CONECT 1067 910 CONECT 1068 906 1069 1073 1077 CONECT 1069 1068 1070 1071 1072 CONECT 1070 1069 CONECT 1071 1069 CONECT 1072 1069 CONECT 1073 1068 1074 1075 1076 CONECT 1074 1073 CONECT 1075 1073 CONECT 1076 1073 CONECT 1077 1068 CONECT 1078 906 CONECT 1079 905 CONECT 1080 905 CONECT 1081 905 MASTER 0 0 0 0 0 0 0 0 1080 1 181 5 END
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Entry Information
PDB ID
1aze
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
growth factor receptor-bound protein 2 (grb2)
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=60uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v290 pp. 717-30, 1999
Ligand Properties
Formula
C
5
3
H
9
5
N
1
9
O
1
1
Molecular Weight
1174.440
Exact Mass
1173.750
No. of atoms
178
No. of bonds
182
Polar Surface Area
480.92
LOGP Value
1.77 (
Computed with XLOGP3
)
-5.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 5
Canonical SMILES
CC([C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH3+])C
InChI String
InChI=1S/C53H91N19O11/c1-29(2)39(54)48(80)71-27-11-19-37(71)47(79)70-26-10-18-36(70)45(77)69-25-9-17-35(69)44(76)67-40(30(3)4)49(81)72-28-12-20-38(72)46(78)68-24-8-16-34(68)43(75)65-32(14-6-22-62-52(57)58)41(73)64-31(13-5-21-61-51(55)56)42(74)66-33(50(82)83)15-7-23-63-53(59)60/h29-40H,5-28,54H2,1-4H3,(H,64,73)(H,65,75)(H,66,74)(H,67,76)(H,82,83)(H4,55,56,61)(H4,57,58,62)(H4,59,60,63)/p+4/t31-,32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1
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UniProtKB AC
UniProt accession number (AC):
P26675
P62993
Entrez Gene ID
NCBI Entrez Gene ID:
34790
2885
ASD
Information of known allosteric effects of PDB entries
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