Browse entries in the PDBbind-CN Database
HEADER 6HOL_COMPLEX COMPND 6HOL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 LYS PHE GLN TYR LYS GLU ASP HIS PRO PHE GLU TYR ARG SEQRES 2 A 116 LYS LYS GLU GLY GLU LYS ILE ARG LYS LYS TYR PRO ASP SEQRES 3 A 116 ARG VAL PRO VAL ILE VAL GLU LYS ALA PRO LYS ALA ARG SEQRES 4 A 116 VAL PRO ASP LEU ASP LYS ARG LYS TYR LEU VAL PRO SER SEQRES 5 A 116 ASP LEU THR VAL GLY GLN PHE TYR PHE LEU ILE ARG LYS SEQRES 6 A 116 ARG ILE HIS LEU ARG PRO GLU ASP ALA LEU PHE PHE PHE SEQRES 7 A 116 VAL ASN ASN THR ILE PRO PRO THR SER ALA THR MET GLY SEQRES 8 A 116 GLN LEU TYR GLU ASP ASN HIS GLU GLU ASP TYR PHE LEU SEQRES 9 A 116 TYR VAL ALA TYR SER ASP GLU SER VAL TYR GLY LYS HET ASP A 224 170 ATOM 1 N LYS A 2 3.495 18.673 7.038 1.00 35.15 N ATOM 2 CA LYS A 2 2.306 18.261 7.766 1.00 34.94 C ATOM 3 C LYS A 2 2.550 17.230 8.893 1.00 34.48 C ATOM 4 O LYS A 2 1.617 16.967 9.662 1.00 36.79 O ATOM 5 CB LYS A 2 1.214 17.776 6.803 1.00 35.09 C ATOM 6 HN3 LYS A 2 3.932 17.842 6.591 1.00 0.00 H ATOM 7 HN2 LYS A 2 4.171 19.108 7.698 1.00 0.00 H ATOM 8 HN1 LYS A 2 3.230 19.363 6.306 1.00 0.00 H ATOM 9 N PHE A 3 3.772 16.679 9.008 1.00 31.49 N ATOM 10 CA PHE A 3 4.080 15.719 10.070 1.00 29.11 C ATOM 11 C PHE A 3 3.913 16.378 11.433 1.00 27.80 C ATOM 12 O PHE A 3 4.252 17.550 11.612 1.00 27.71 O ATOM 13 CB PHE A 3 5.536 15.238 9.957 1.00 28.22 C ATOM 14 CG PHE A 3 5.741 14.183 8.881 1.00 27.94 C ATOM 15 CD1 PHE A 3 5.817 14.551 7.546 1.00 27.94 C ATOM 16 CD2 PHE A 3 5.878 12.825 9.200 1.00 27.01 C ATOM 17 CE1 PHE A 3 5.988 13.568 6.537 1.00 27.06 C ATOM 18 CE2 PHE A 3 6.060 11.830 8.172 1.00 26.69 C ATOM 19 CZ PHE A 3 6.077 12.223 6.876 1.00 26.32 C ATOM 20 H PHE A 3 4.514 16.941 8.328 1.00 0.00 H ATOM 21 N GLN A 4 3.423 15.617 12.416 1.00 26.98 N ATOM 22 CA GLN A 4 3.288 16.184 13.753 1.00 26.46 C ATOM 23 C GLN A 4 4.637 16.543 14.344 1.00 22.03 C ATOM 24 O GLN A 4 4.729 17.515 15.109 1.00 22.23 O ATOM 25 CB GLN A 4 2.503 15.263 14.692 1.00 31.63 C ATOM 26 CG GLN A 4 2.190 15.848 16.086 1.00 36.49 C ATOM 27 CD GLN A 4 1.087 16.885 16.077 1.00 40.71 C ATOM 28 OE1 GLN A 4 0.209 16.891 15.202 1.00 42.25 O ATOM 29 NE2 GLN A 4 1.108 17.756 17.080 1.00 41.93 N ATOM 30 HE22 GLN A 4 1.866 17.712 17.791 1.00 0.00 H ATOM 31 HE21 GLN A 4 0.367 18.482 17.154 1.00 0.00 H ATOM 32 H GLN A 4 3.142 14.633 12.230 1.00 0.00 H ATOM 33 N TYR A 5 5.707 15.799 14.017 1.00 19.42 N ATOM 34 CA TYR A 5 6.999 16.138 14.604 1.00 16.99 C ATOM 35 C TYR A 5 7.411 17.547 14.207 1.00 16.44 C ATOM 36 O TYR A 5 7.996 18.297 15.022 1.00 15.97 O ATOM 37 CB TYR A 5 8.032 15.090 14.156 1.00 16.55 C ATOM 38 CG TYR A 5 9.399 15.329 14.696 1.00 16.98 C ATOM 39 CD1 TYR A 5 9.700 15.117 16.059 1.00 17.70 C ATOM 40 CD2 TYR A 5 10.425 15.758 13.853 1.00 17.86 C ATOM 41 CE1 TYR A 5 10.988 15.336 16.544 1.00 18.57 C ATOM 42 CE2 TYR A 5 11.706 15.989 14.343 1.00 18.98 C ATOM 43 CZ TYR A 5 12.001 15.757 15.669 1.00 19.64 C ATOM 44 OH TYR A 5 13.306 16.014 16.064 1.00 20.58 O ATOM 45 HH TYR A 5 13.403 15.814 17.029 1.00 0.00 H ATOM 46 H TYR A 5 5.616 14.998 13.359 1.00 0.00 H ATOM 47 N LYS A 6 7.082 17.952 12.990 1.00 18.09 N ATOM 48 CA LYS A 6 7.380 19.317 12.566 1.00 20.84 C ATOM 49 C LYS A 6 6.414 20.338 13.138 1.00 23.13 C ATOM 50 O LYS A 6 6.813 21.478 13.409 1.00 23.94 O ATOM 51 CB LYS A 6 7.300 19.435 11.061 1.00 21.76 C ATOM 52 CG LYS A 6 8.356 18.582 10.362 1.00 23.35 C ATOM 53 CD LYS A 6 8.364 18.897 8.901 1.00 26.26 C ATOM 54 CE LYS A 6 9.590 18.377 8.269 1.00 27.78 C ATOM 55 NZ LYS A 6 9.613 18.940 6.908 1.00 28.47 N ATOM 56 HZ1 LYS A 6 8.764 18.632 6.393 1.00 0.00 H ATOM 57 HZ2 LYS A 6 9.629 19.978 6.964 1.00 0.00 H ATOM 58 HZ3 LYS A 6 10.462 18.605 6.410 1.00 0.00 H ATOM 59 H LYS A 6 6.610 17.296 12.335 1.00 0.00 H ATOM 60 N GLU A 7 5.159 19.973 13.347 1.00 24.38 N ATOM 61 CA GLU A 7 4.269 20.915 14.018 1.00 25.27 C ATOM 62 C GLU A 7 4.692 21.116 15.461 1.00 22.48 C ATOM 63 O GLU A 7 4.374 22.156 16.067 1.00 22.06 O ATOM 64 CB GLU A 7 2.855 20.372 13.996 1.00 30.21 C ATOM 65 CG GLU A 7 2.250 20.337 12.610 1.00 36.89 C ATOM 66 CD GLU A 7 0.820 19.872 12.643 1.00 43.88 C ATOM 67 OE1 GLU A 7 -0.044 20.544 12.033 1.00 46.26 O ATOM 68 OE2 GLU A 7 0.563 18.818 13.283 1.00 46.68 O ATOM 69 H GLU A 7 4.816 19.040 13.041 1.00 0.00 H ATOM 70 N ASP A 8 5.288 20.119 16.066 1.00 20.14 N ATOM 71 CA ASP A 8 5.677 20.181 17.460 1.00 20.43 C ATOM 72 C ASP A 8 6.975 20.921 17.688 1.00 19.69 C ATOM 73 O ASP A 8 7.160 21.437 18.775 1.00 20.25 O ATOM 74 CB ASP A 8 5.722 18.811 18.106 1.00 22.79 C ATOM 75 CG ASP A 8 4.373 18.109 18.108 1.00 27.05 C ATOM 76 OD1 ASP A 8 3.297 18.710 17.815 1.00 28.17 O ATOM 77 OD2 ASP A 8 4.385 16.900 18.395 1.00 29.25 O ATOM 78 H ASP A 8 5.489 19.253 15.527 1.00 0.00 H ATOM 79 N HIS A 9 7.925 20.924 16.744 1.00 17.77 N ATOM 80 CA HIS A 9 9.283 21.413 16.997 1.00 16.67 C ATOM 81 C HIS A 9 9.739 22.240 15.802 1.00 17.05 C ATOM 82 O HIS A 9 9.583 21.797 14.656 1.00 17.35 O ATOM 83 CB HIS A 9 10.227 20.189 17.126 1.00 16.75 C ATOM 84 CG HIS A 9 9.942 19.351 18.309 1.00 17.40 C ATOM 85 ND1 HIS A 9 9.880 19.904 19.578 1.00 17.86 N ATOM 86 CD2 HIS A 9 9.686 18.029 18.464 1.00 18.73 C ATOM 87 CE1 HIS A 9 9.603 18.951 20.451 1.00 19.67 C ATOM 88 NE2 HIS A 9 9.472 17.809 19.804 1.00 20.45 N ATOM 89 H HIS A 9 7.690 20.566 15.796 1.00 0.00 H ATOM 90 N PRO A 10 10.351 23.383 15.996 1.00 16.76 N ATOM 91 CA PRO A 10 10.808 24.185 14.867 1.00 16.74 C ATOM 92 C PRO A 10 12.046 23.526 14.240 1.00 15.12 C ATOM 93 O PRO A 10 12.700 22.689 14.843 1.00 15.07 O ATOM 94 CB PRO A 10 11.164 25.544 15.506 1.00 17.88 C ATOM 95 CG PRO A 10 10.459 25.565 16.887 1.00 18.97 C ATOM 96 CD PRO A 10 10.497 24.092 17.288 1.00 17.28 C ATOM 97 N PHE A 11 12.401 24.057 13.079 1.00 14.65 N ATOM 98 CA PHE A 11 13.521 23.475 12.338 1.00 15.61 C ATOM 99 C PHE A 11 14.796 23.344 13.165 1.00 16.78 C ATOM 100 O PHE A 11 15.446 22.289 13.164 1.00 16.86 O ATOM 101 CB PHE A 11 13.794 24.343 11.121 1.00 16.32 C ATOM 102 CG PHE A 11 14.999 23.855 10.337 1.00 17.40 C ATOM 103 CD1 PHE A 11 14.911 22.731 9.524 1.00 18.25 C ATOM 104 CD2 PHE A 11 16.234 24.433 10.494 1.00 17.91 C ATOM 105 CE1 PHE A 11 16.023 22.257 8.896 1.00 18.29 C ATOM 106 CE2 PHE A 11 17.343 23.926 9.846 1.00 18.16 C ATOM 107 CZ PHE A 11 17.199 22.830 9.040 1.00 17.97 C ATOM 108 H PHE A 11 11.889 24.879 12.698 1.00 0.00 H ATOM 109 N GLU A 12 15.212 24.421 13.841 1.00 18.62 N ATOM 110 CA GLU A 12 16.500 24.373 14.522 1.00 19.71 C ATOM 111 C GLU A 12 16.526 23.276 15.587 1.00 18.47 C ATOM 112 O GLU A 12 17.535 22.574 15.733 1.00 18.78 O ATOM 113 CB GLU A 12 16.865 25.755 15.073 1.00 24.31 C ATOM 114 CG GLU A 12 18.131 25.771 15.894 1.00 29.06 C ATOM 115 CD GLU A 12 19.374 25.540 15.084 1.00 34.24 C ATOM 116 OE1 GLU A 12 19.329 25.712 13.844 1.00 34.69 O ATOM 117 OE2 GLU A 12 20.409 25.210 15.708 1.00 37.93 O ATOM 118 H GLU A 12 14.626 25.279 13.880 1.00 0.00 H ATOM 119 N TYR A 13 15.428 23.122 16.349 1.00 17.72 N ATOM 120 CA TYR A 13 15.317 22.016 17.307 1.00 15.87 C ATOM 121 C TYR A 13 15.490 20.676 16.613 1.00 15.01 C ATOM 122 O TYR A 13 16.210 19.794 17.110 1.00 15.39 O ATOM 123 CB TYR A 13 13.952 22.069 18.032 1.00 16.24 C ATOM 124 CG TYR A 13 13.710 20.983 19.017 1.00 17.16 C ATOM 125 CD1 TYR A 13 13.328 19.690 18.604 1.00 17.97 C ATOM 126 CD2 TYR A 13 13.752 21.246 20.386 1.00 19.65 C ATOM 127 CE1 TYR A 13 13.109 18.715 19.506 1.00 19.59 C ATOM 128 CE2 TYR A 13 13.496 20.259 21.296 1.00 20.62 C ATOM 129 CZ TYR A 13 13.171 18.998 20.870 1.00 21.53 C ATOM 130 OH TYR A 13 12.931 18.007 21.798 1.00 24.21 O ATOM 131 HH TYR A 13 12.711 17.163 21.329 1.00 0.00 H ATOM 132 H TYR A 13 14.644 23.799 16.257 1.00 0.00 H ATOM 133 N ARG A 14 14.761 20.501 15.514 1.00 14.65 N ATOM 134 CA ARG A 14 14.850 19.218 14.791 1.00 14.44 C ATOM 135 C ARG A 14 16.251 18.955 14.276 1.00 15.60 C ATOM 136 O ARG A 14 16.766 17.842 14.450 1.00 16.21 O ATOM 137 CB ARG A 14 13.861 19.199 13.662 1.00 14.40 C ATOM 138 CG ARG A 14 12.438 19.414 14.160 1.00 14.61 C ATOM 139 CD ARG A 14 11.397 19.266 13.094 1.00 16.24 C ATOM 140 NE ARG A 14 11.837 19.720 11.764 1.00 17.94 N ATOM 141 CZ ARG A 14 11.384 20.813 11.160 1.00 19.18 C ATOM 142 NH1 ARG A 14 10.462 21.561 11.742 1.00 20.59 N ATOM 143 NH2 ARG A 14 11.792 21.128 9.942 1.00 19.74 N ATOM 144 HE ARG A 14 12.548 19.148 11.265 1.00 0.00 H ATOM 145 HH12 ARG A 14 10.110 22.416 11.266 1.00 0.00 H ATOM 146 HH11 ARG A 14 10.089 21.294 12.676 1.00 0.00 H ATOM 147 HH22 ARG A 14 11.431 21.986 9.478 1.00 0.00 H ATOM 148 HH21 ARG A 14 12.474 20.518 9.448 1.00 0.00 H ATOM 149 H ARG A 14 14.137 21.258 15.169 1.00 0.00 H ATOM 150 N LYS A 15 16.882 19.979 13.698 1.00 16.36 N ATOM 151 CA LYS A 15 18.251 19.838 13.216 1.00 17.17 C ATOM 152 C LYS A 15 19.211 19.433 14.328 1.00 17.79 C ATOM 153 O LYS A 15 20.076 18.544 14.143 1.00 17.82 O ATOM 154 CB LYS A 15 18.720 21.119 12.528 1.00 18.98 C ATOM 155 CG LYS A 15 20.065 20.990 11.845 1.00 21.07 C ATOM 156 CD LYS A 15 20.585 22.347 11.411 1.00 23.66 C ATOM 157 CE LYS A 15 21.147 23.104 12.582 1.00 26.62 C ATOM 158 NZ LYS A 15 21.915 24.311 12.092 1.00 28.40 N ATOM 159 HZ1 LYS A 15 22.694 23.999 11.478 1.00 0.00 H ATOM 160 HZ2 LYS A 15 21.277 24.932 11.555 1.00 0.00 H ATOM 161 HZ3 LYS A 15 22.301 24.829 12.907 1.00 0.00 H ATOM 162 H LYS A 15 16.391 20.889 13.590 1.00 0.00 H ATOM 163 N LYS A 16 19.111 20.088 15.473 1.00 19.44 N ATOM 164 CA LYS A 16 19.997 19.777 16.580 1.00 20.94 C ATOM 165 C LYS A 16 19.767 18.375 17.076 1.00 18.56 C ATOM 166 O LYS A 16 20.740 17.627 17.278 1.00 18.07 O ATOM 167 CB LYS A 16 19.787 20.776 17.740 1.00 25.23 C ATOM 168 CG LYS A 16 20.311 22.155 17.452 1.00 30.55 C ATOM 169 CD LYS A 16 19.921 23.102 18.585 1.00 35.46 C ATOM 170 H LYS A 16 18.392 20.832 15.581 1.00 0.00 H ATOM 171 N GLU A 17 18.513 17.939 17.130 1.00 17.64 N ATOM 172 CA GLU A 17 18.255 16.530 17.464 1.00 17.44 C ATOM 173 C GLU A 17 18.839 15.538 16.428 1.00 16.90 C ATOM 174 O GLU A 17 19.447 14.539 16.825 1.00 17.92 O ATOM 175 CB GLU A 17 16.753 16.274 17.671 1.00 19.60 C ATOM 176 CG GLU A 17 16.481 14.850 18.178 1.00 21.81 C ATOM 177 CD GLU A 17 15.049 14.642 18.729 1.00 25.22 C ATOM 178 OE1 GLU A 17 14.158 15.476 18.485 1.00 27.17 O ATOM 179 OE2 GLU A 17 14.818 13.596 19.391 1.00 26.80 O ATOM 180 H GLU A 17 17.722 18.587 16.938 1.00 0.00 H ATOM 181 N GLY A 18 18.583 15.781 15.134 1.00 16.90 N ATOM 182 CA GLY A 18 19.122 14.875 14.095 1.00 18.04 C ATOM 183 C GLY A 18 20.629 14.860 14.134 1.00 20.17 C ATOM 184 O GLY A 18 21.244 13.796 13.977 1.00 21.43 O ATOM 185 H GLY A 18 18.008 16.603 14.862 1.00 0.00 H ATOM 186 N GLU A 19 21.252 16.036 14.226 1.00 22.06 N ATOM 187 CA GLU A 19 22.714 16.089 14.311 1.00 23.77 C ATOM 188 C GLU A 19 23.238 15.273 15.480 1.00 22.90 C ATOM 189 O GLU A 19 24.240 14.547 15.360 1.00 23.27 O ATOM 190 CB GLU A 19 23.147 17.539 14.499 1.00 27.77 C ATOM 191 CG GLU A 19 23.090 18.331 13.250 1.00 31.74 C ATOM 192 CD GLU A 19 23.406 19.793 13.500 1.00 35.07 C ATOM 193 OE1 GLU A 19 23.899 20.431 12.552 1.00 36.57 O ATOM 194 OE2 GLU A 19 23.141 20.311 14.629 1.00 36.41 O ATOM 195 H GLU A 19 20.699 16.917 14.237 1.00 0.00 H ATOM 196 N LYS A 20 22.621 15.443 16.638 1.00 22.44 N ATOM 197 CA LYS A 20 23.046 14.770 17.858 1.00 22.93 C ATOM 198 C LYS A 20 22.868 13.264 17.715 1.00 21.39 C ATOM 199 O LYS A 20 23.738 12.475 18.103 1.00 21.75 O ATOM 200 CB LYS A 20 22.246 15.334 19.047 1.00 26.17 C ATOM 201 CG LYS A 20 22.549 14.745 20.424 1.00 29.44 C ATOM 202 CD LYS A 20 21.634 15.377 21.515 1.00 32.00 C ATOM 203 H LYS A 20 21.801 16.082 16.679 1.00 0.00 H ATOM 204 N ILE A 21 21.766 12.848 17.095 1.00 20.48 N ATOM 205 CA ILE A 21 21.528 11.406 16.915 1.00 20.83 C ATOM 206 C ILE A 21 22.490 10.789 15.910 1.00 20.44 C ATOM 207 O ILE A 21 22.932 9.657 16.110 1.00 20.05 O ATOM 208 CB ILE A 21 20.041 11.156 16.582 1.00 23.08 C ATOM 209 CG1 ILE A 21 19.230 11.059 17.887 1.00 27.71 C ATOM 210 CG2 ILE A 21 19.821 9.921 15.753 1.00 24.25 C ATOM 211 CD1 ILE A 21 19.493 9.755 18.690 1.00 30.48 C ATOM 212 H ILE A 21 21.075 13.539 16.739 1.00 0.00 H ATOM 213 N ARG A 22 22.819 11.520 14.831 1.00 19.87 N ATOM 214 CA ARG A 22 23.761 10.964 13.854 1.00 19.84 C ATOM 215 C ARG A 22 25.135 10.870 14.435 1.00 21.79 C ATOM 216 O ARG A 22 25.896 9.997 14.015 1.00 21.76 O ATOM 217 CB ARG A 22 23.806 11.805 12.584 1.00 19.44 C ATOM 218 CG ARG A 22 22.613 11.631 11.691 1.00 19.53 C ATOM 219 CD ARG A 22 22.664 10.381 10.814 1.00 19.42 C ATOM 220 NE ARG A 22 23.910 10.388 10.075 1.00 19.19 N ATOM 221 CZ ARG A 22 24.777 9.378 10.039 1.00 19.67 C ATOM 222 NH1 ARG A 22 24.505 8.237 10.647 1.00 20.08 N ATOM 223 NH2 ARG A 22 25.909 9.543 9.405 1.00 20.30 N ATOM 224 HE ARG A 22 24.144 11.244 9.533 1.00 0.00 H ATOM 225 HH12 ARG A 22 25.189 7.454 10.613 1.00 0.00 H ATOM 226 HH11 ARG A 22 23.607 8.122 11.159 1.00 0.00 H ATOM 227 HH22 ARG A 22 26.600 8.767 9.365 1.00 0.00 H ATOM 228 HH21 ARG A 22 26.118 10.450 8.941 1.00 0.00 H ATOM 229 H ARG A 22 22.411 12.466 14.691 1.00 0.00 H ATOM 230 N LYS A 23 25.495 11.739 15.353 1.00 22.53 N ATOM 231 CA LYS A 23 26.794 11.653 16.005 1.00 23.65 C ATOM 232 C LYS A 23 26.816 10.542 17.059 1.00 24.68 C ATOM 233 O LYS A 23 27.801 9.790 17.149 1.00 25.33 O ATOM 234 CB LYS A 23 27.202 13.023 16.586 1.00 24.86 C ATOM 235 H LYS A 23 24.840 12.502 15.619 1.00 0.00 H ATOM 236 N LYS A 24 25.729 10.371 17.816 1.00 24.81 N ATOM 237 CA LYS A 24 25.694 9.327 18.847 1.00 25.88 C ATOM 238 C LYS A 24 25.554 7.916 18.261 1.00 24.63 C ATOM 239 O LYS A 24 26.104 6.964 18.815 1.00 25.96 O ATOM 240 CB LYS A 24 24.580 9.620 19.867 1.00 28.99 C ATOM 241 CG LYS A 24 24.536 8.580 20.987 1.00 31.90 C ATOM 242 CD LYS A 24 23.764 9.096 22.204 1.00 33.85 C ATOM 243 H LYS A 24 24.900 10.983 17.674 1.00 0.00 H ATOM 244 N TYR A 25 24.778 7.758 17.187 1.00 22.52 N ATOM 245 CA TYR A 25 24.524 6.458 16.569 1.00 21.71 C ATOM 246 C TYR A 25 24.915 6.533 15.091 1.00 19.45 C ATOM 247 O TYR A 25 24.060 6.505 14.200 1.00 18.80 O ATOM 248 CB TYR A 25 23.064 6.044 16.736 1.00 23.87 C ATOM 249 CG TYR A 25 22.633 5.954 18.168 1.00 27.24 C ATOM 250 CD1 TYR A 25 23.062 4.917 18.966 1.00 29.95 C ATOM 251 CD2 TYR A 25 21.805 6.906 18.711 1.00 28.13 C ATOM 252 CE1 TYR A 25 22.679 4.816 20.289 1.00 30.98 C ATOM 253 CE2 TYR A 25 21.402 6.811 20.019 1.00 30.58 C ATOM 254 CZ TYR A 25 21.844 5.771 20.808 1.00 31.83 C ATOM 255 OH TYR A 25 21.394 5.772 22.138 1.00 34.17 O ATOM 256 HH TYR A 25 20.405 5.726 22.151 1.00 0.00 H ATOM 257 H TYR A 25 24.333 8.600 16.770 1.00 0.00 H ATOM 258 N PRO A 26 26.215 6.581 14.798 1.00 19.75 N ATOM 259 CA PRO A 26 26.655 6.889 13.423 1.00 19.84 C ATOM 260 C PRO A 26 26.370 5.779 12.404 1.00 19.82 C ATOM 261 O PRO A 26 26.239 6.083 11.221 1.00 19.76 O ATOM 262 CB PRO A 26 28.163 7.167 13.573 1.00 20.39 C ATOM 263 CG PRO A 26 28.537 6.458 14.841 1.00 20.04 C ATOM 264 CD PRO A 26 27.314 6.636 15.761 1.00 20.00 C ATOM 265 N ASP A 27 26.124 4.567 12.844 1.00 20.39 N ATOM 266 CA ASP A 27 25.739 3.515 11.920 1.00 21.85 C ATOM 267 C ASP A 27 24.244 3.376 11.729 1.00 21.08 C ATOM 268 O ASP A 27 23.754 2.442 11.098 1.00 23.12 O ATOM 269 CB ASP A 27 26.355 2.204 12.387 1.00 26.12 C ATOM 270 CG ASP A 27 25.807 1.758 13.718 1.00 31.75 C ATOM 271 OD1 ASP A 27 25.383 2.620 14.550 1.00 32.74 O ATOM 272 OD2 ASP A 27 25.819 0.533 13.938 1.00 35.53 O ATOM 273 H ASP A 27 26.205 4.359 13.860 1.00 0.00 H ATOM 274 N ARG A 28 23.467 4.297 12.281 1.00 18.55 N ATOM 275 CA ARG A 28 22.020 4.283 12.125 1.00 18.48 C ATOM 276 C ARG A 28 21.612 5.562 11.422 1.00 17.65 C ATOM 277 O ARG A 28 22.330 6.569 11.458 1.00 18.62 O ATOM 278 CB ARG A 28 21.309 4.250 13.483 1.00 19.39 C ATOM 279 CG ARG A 28 21.487 2.996 14.290 1.00 20.76 C ATOM 280 CD ARG A 28 20.741 1.829 13.625 1.00 21.42 C ATOM 281 NE ARG A 28 20.826 0.603 14.403 1.00 21.93 N ATOM 282 CZ ARG A 28 21.810 -0.281 14.230 1.00 22.85 C ATOM 283 NH1 ARG A 28 22.749 -0.025 13.322 1.00 21.97 N ATOM 284 NH2 ARG A 28 21.870 -1.387 14.968 1.00 24.90 N ATOM 285 HE ARG A 28 20.096 0.409 15.118 1.00 0.00 H ATOM 286 HH12 ARG A 28 23.525 -0.701 13.171 1.00 0.00 H ATOM 287 HH11 ARG A 28 22.707 0.851 12.763 1.00 0.00 H ATOM 288 HH22 ARG A 28 22.643 -2.068 14.823 1.00 0.00 H ATOM 289 HH21 ARG A 28 21.144 -1.570 15.690 1.00 0.00 H ATOM 290 H ARG A 28 23.905 5.054 12.844 1.00 0.00 H ATOM 291 N VAL A 29 20.463 5.514 10.747 1.00 17.51 N ATOM 292 CA VAL A 29 19.896 6.750 10.201 1.00 18.26 C ATOM 293 C VAL A 29 18.578 7.020 10.909 1.00 17.74 C ATOM 294 O VAL A 29 17.814 6.093 11.193 1.00 17.90 O ATOM 295 CB VAL A 29 19.740 6.711 8.670 1.00 19.42 C ATOM 296 CG1 VAL A 29 21.121 6.721 8.065 1.00 19.72 C ATOM 297 CG2 VAL A 29 18.915 5.506 8.247 1.00 19.94 C ATOM 298 H VAL A 29 19.973 4.607 10.609 1.00 0.00 H ATOM 299 N PRO A 30 18.320 8.273 11.277 1.00 16.87 N ATOM 300 CA PRO A 30 17.091 8.604 11.986 1.00 16.89 C ATOM 301 C PRO A 30 15.937 8.838 11.016 1.00 16.39 C ATOM 302 O PRO A 30 16.027 9.629 10.067 1.00 15.79 O ATOM 303 CB PRO A 30 17.474 9.874 12.760 1.00 16.90 C ATOM 304 CG PRO A 30 18.455 10.540 11.876 1.00 17.02 C ATOM 305 CD PRO A 30 19.261 9.402 11.230 1.00 16.94 C ATOM 306 N VAL A 31 14.805 8.231 11.354 1.00 15.57 N ATOM 307 CA VAL A 31 13.630 8.236 10.498 1.00 15.36 C ATOM 308 C VAL A 31 12.412 8.554 11.365 1.00 15.18 C ATOM 309 O VAL A 31 12.213 7.923 12.414 1.00 16.49 O ATOM 310 CB VAL A 31 13.456 6.878 9.781 1.00 16.70 C ATOM 311 CG1 VAL A 31 12.294 6.902 8.812 1.00 16.67 C ATOM 312 CG2 VAL A 31 14.747 6.462 9.016 1.00 16.72 C ATOM 313 H VAL A 31 14.757 7.733 12.266 1.00 0.00 H ATOM 314 N ILE A 32 11.610 9.523 10.922 1.00 14.61 N ATOM 315 CA ILE A 32 10.346 9.916 11.557 1.00 15.40 C ATOM 316 C ILE A 32 9.263 9.205 10.761 1.00 14.61 C ATOM 317 O ILE A 32 9.223 9.355 9.527 1.00 14.86 O ATOM 318 CB ILE A 32 10.147 11.433 11.417 1.00 17.03 C ATOM 319 CG1 ILE A 32 11.213 12.253 12.168 1.00 18.06 C ATOM 320 CG2 ILE A 32 8.706 11.853 11.915 1.00 17.88 C ATOM 321 CD1 ILE A 32 11.230 12.020 13.642 1.00 19.29 C ATOM 322 H ILE A 32 11.901 10.037 10.066 1.00 0.00 H ATOM 323 N VAL A 33 8.412 8.418 11.434 1.00 13.88 N ATOM 324 CA VAL A 33 7.370 7.608 10.786 1.00 14.32 C ATOM 325 C VAL A 33 6.043 8.075 11.381 1.00 14.30 C ATOM 326 O VAL A 33 5.823 7.895 12.588 1.00 14.73 O ATOM 327 CB VAL A 33 7.576 6.093 11.003 1.00 15.28 C ATOM 328 CG1 VAL A 33 6.502 5.334 10.191 1.00 15.69 C ATOM 329 CG2 VAL A 33 8.996 5.619 10.507 1.00 15.59 C ATOM 330 H VAL A 33 8.493 8.378 12.470 1.00 0.00 H ATOM 331 N GLU A 34 5.151 8.525 10.522 1.00 14.97 N ATOM 332 CA GLU A 34 3.850 9.081 10.972 1.00 16.20 C ATOM 333 C GLU A 34 2.784 8.711 9.945 1.00 16.34 C ATOM 334 O GLU A 34 3.076 8.422 8.783 1.00 16.15 O ATOM 335 CB GLU A 34 3.875 10.597 11.091 1.00 18.96 C ATOM 336 CG GLU A 34 4.693 11.068 12.253 1.00 21.71 C ATOM 337 CD GLU A 34 4.451 12.513 12.511 1.00 23.91 C ATOM 338 OE1 GLU A 34 3.305 12.994 12.243 1.00 27.07 O ATOM 339 OE2 GLU A 34 5.371 13.165 13.008 1.00 22.56 O ATOM 340 H GLU A 34 5.363 8.490 9.505 1.00 0.00 H ATOM 341 N LYS A 35 1.542 8.798 10.335 1.00 17.37 N ATOM 342 CA LYS A 35 0.441 8.607 9.395 1.00 19.15 C ATOM 343 C LYS A 35 0.407 9.685 8.331 1.00 20.13 C ATOM 344 O LYS A 35 0.597 10.878 8.607 1.00 21.78 O ATOM 345 CB LYS A 35 -0.903 8.681 10.125 1.00 22.17 C ATOM 346 CG LYS A 35 -1.189 7.507 10.948 1.00 25.12 C ATOM 347 CD LYS A 35 -2.693 7.583 11.449 1.00 27.04 C ATOM 348 CE LYS A 35 -3.191 8.987 11.854 1.00 30.40 C ATOM 349 NZ LYS A 35 -2.360 9.488 13.020 1.00 32.78 N ATOM 350 HZ1 LYS A 35 -2.461 8.834 13.822 1.00 0.00 H ATOM 351 HZ2 LYS A 35 -1.361 9.538 12.736 1.00 0.00 H ATOM 352 HZ3 LYS A 35 -2.690 10.434 13.298 1.00 0.00 H ATOM 353 H LYS A 35 1.333 9.007 11.332 1.00 0.00 H ATOM 354 N ALA A 36 0.051 9.286 7.125 1.00 19.40 N ATOM 355 CA ALA A 36 -0.161 10.196 6.030 1.00 20.66 C ATOM 356 C ALA A 36 -1.444 10.982 6.307 1.00 21.42 C ATOM 357 O ALA A 36 -2.289 10.534 7.093 1.00 21.18 O ATOM 358 CB ALA A 36 -0.302 9.386 4.728 1.00 21.42 C ATOM 359 H ALA A 36 -0.082 8.268 6.958 1.00 0.00 H ATOM 360 N PRO A 37 -1.606 12.148 5.671 1.00 22.51 N ATOM 361 CA PRO A 37 -2.877 12.875 5.759 1.00 23.72 C ATOM 362 C PRO A 37 -4.026 11.985 5.330 1.00 23.82 C ATOM 363 O PRO A 37 -3.942 11.269 4.330 1.00 23.24 O ATOM 364 CB PRO A 37 -2.701 14.014 4.747 1.00 25.15 C ATOM 365 CG PRO A 37 -1.263 14.142 4.543 1.00 25.27 C ATOM 366 CD PRO A 37 -0.692 12.791 4.715 1.00 24.00 C ATOM 367 N LYS A 38 -5.104 12.037 6.101 1.00 23.78 N ATOM 368 CA LYS A 38 -6.361 11.360 5.836 1.00 23.89 C ATOM 369 C LYS A 38 -6.310 9.861 6.124 1.00 21.62 C ATOM 370 O LYS A 38 -7.344 9.207 6.058 1.00 22.02 O ATOM 371 CB LYS A 38 -6.908 11.616 4.416 1.00 27.24 C ATOM 372 CG LYS A 38 -7.242 13.101 4.158 1.00 30.55 C ATOM 373 CD LYS A 38 -7.798 13.280 2.753 1.00 32.93 C ATOM 374 H LYS A 38 -5.044 12.610 6.967 1.00 0.00 H ATOM 375 N ALA A 39 -5.146 9.294 6.435 1.00 19.39 N ATOM 376 CA ALA A 39 -5.046 7.854 6.586 1.00 18.26 C ATOM 377 C ALA A 39 -5.966 7.245 7.626 1.00 18.04 C ATOM 378 O ALA A 39 -6.218 7.845 8.694 1.00 19.54 O ATOM 379 CB ALA A 39 -3.592 7.484 6.866 1.00 18.30 C ATOM 380 H ALA A 39 -4.303 9.887 6.571 1.00 0.00 H ATOM 381 N ARG A 40 -6.532 6.069 7.307 1.00 17.91 N ATOM 382 CA ARG A 40 -7.432 5.381 8.231 1.00 19.03 C ATOM 383 C ARG A 40 -6.673 4.124 8.674 1.00 19.63 C ATOM 384 O ARG A 40 -6.856 3.030 8.138 1.00 21.76 O ATOM 385 CB ARG A 40 -8.832 5.070 7.570 1.00 20.49 C ATOM 386 CG ARG A 40 -9.625 6.298 7.063 1.00 22.71 C ATOM 387 CD ARG A 40 -10.081 6.119 5.590 1.00 24.74 C ATOM 388 NE ARG A 40 -8.861 6.018 4.818 1.00 25.76 N ATOM 389 CZ ARG A 40 -8.385 6.952 3.993 1.00 25.68 C ATOM 390 NH1 ARG A 40 -9.066 8.073 3.763 1.00 26.61 N ATOM 391 NH2 ARG A 40 -7.197 6.778 3.431 1.00 26.68 N ATOM 392 HE ARG A 40 -8.308 5.142 4.915 1.00 0.00 H ATOM 393 HH12 ARG A 40 -8.682 8.792 3.117 1.00 0.00 H ATOM 394 HH11 ARG A 40 -9.982 8.230 4.229 1.00 0.00 H ATOM 395 HH22 ARG A 40 -6.816 7.500 2.786 1.00 0.00 H ATOM 396 HH21 ARG A 40 -6.646 5.920 3.635 1.00 0.00 H ATOM 397 H ARG A 40 -6.325 5.639 6.383 1.00 0.00 H ATOM 398 N VAL A 41 -5.765 4.306 9.631 1.00 19.40 N ATOM 399 CA VAL A 41 -4.814 3.283 10.089 1.00 20.12 C ATOM 400 C VAL A 41 -4.528 3.627 11.550 1.00 20.54 C ATOM 401 O VAL A 41 -4.639 4.804 11.948 1.00 21.24 O ATOM 402 CB VAL A 41 -3.507 3.345 9.290 1.00 21.59 C ATOM 403 CG1 VAL A 41 -3.660 2.575 8.018 1.00 22.73 C ATOM 404 CG2 VAL A 41 -3.065 4.830 9.088 1.00 21.17 C ATOM 405 H VAL A 41 -5.726 5.240 10.087 1.00 0.00 H ATOM 406 N PRO A 42 -4.158 2.642 12.377 1.00 21.55 N ATOM 407 CA PRO A 42 -3.761 2.926 13.758 1.00 22.02 C ATOM 408 C PRO A 42 -2.488 3.756 13.825 1.00 22.88 C ATOM 409 O PRO A 42 -1.682 3.817 12.892 1.00 22.94 O ATOM 410 CB PRO A 42 -3.530 1.530 14.354 1.00 23.03 C ATOM 411 CG PRO A 42 -4.282 0.599 13.467 1.00 23.38 C ATOM 412 CD PRO A 42 -4.203 1.196 12.110 1.00 23.02 C ATOM 413 N ASP A 43 -2.327 4.422 14.974 1.00 25.02 N ATOM 414 CA ASP A 43 -1.117 5.170 15.264 1.00 27.27 C ATOM 415 C ASP A 43 -0.030 4.242 15.780 1.00 26.54 C ATOM 416 O ASP A 43 -0.315 3.176 16.339 1.00 27.50 O ATOM 417 CB ASP A 43 -1.397 6.185 16.362 1.00 31.12 C ATOM 418 CG ASP A 43 -2.145 7.393 15.841 1.00 35.17 C ATOM 419 OD1 ASP A 43 -1.841 7.862 14.727 1.00 36.94 O ATOM 420 OD2 ASP A 43 -3.033 7.881 16.542 1.00 36.35 O ATOM 421 H ASP A 43 -3.091 4.403 15.680 1.00 0.00 H ATOM 422 N LEU A 44 1.224 4.640 15.573 1.00 25.67 N ATOM 423 CA LEU A 44 2.359 3.916 16.152 1.00 24.06 C ATOM 424 C LEU A 44 2.574 4.434 17.561 1.00 26.61 C ATOM 425 O LEU A 44 2.239 5.570 17.855 1.00 27.01 O ATOM 426 CB LEU A 44 3.645 4.224 15.398 1.00 22.40 C ATOM 427 CG LEU A 44 3.828 3.443 14.114 1.00 21.97 C ATOM 428 CD1 LEU A 44 4.798 4.171 13.217 1.00 21.21 C ATOM 429 CD2 LEU A 44 4.215 1.973 14.331 1.00 21.59 C ATOM 430 H LEU A 44 1.401 5.482 14.989 1.00 0.00 H ATOM 431 N ASP A 45 3.171 3.608 18.419 1.00 28.86 N ATOM 432 CA ASP A 45 3.497 4.081 19.767 1.00 32.28 C ATOM 433 C ASP A 45 4.584 5.163 19.729 1.00 29.31 C ATOM 434 O ASP A 45 4.530 6.153 20.470 1.00 29.12 O ATOM 435 CB ASP A 45 3.947 2.890 20.617 1.00 39.12 C ATOM 436 CG ASP A 45 5.064 2.082 19.955 1.00 45.40 C ATOM 437 OD1 ASP A 45 5.224 2.170 18.708 1.00 47.54 O ATOM 438 OD2 ASP A 45 5.803 1.369 20.683 1.00 47.81 O ATOM 439 H ASP A 45 3.404 2.635 18.134 1.00 0.00 H ATOM 440 N LYS A 46 5.553 5.004 18.841 1.00 26.87 N ATOM 441 CA LYS A 46 6.718 5.862 18.726 1.00 25.70 C ATOM 442 C LYS A 46 6.777 6.387 17.305 1.00 22.42 C ATOM 443 O LYS A 46 6.326 5.722 16.365 1.00 23.19 O ATOM 444 CB LYS A 46 7.991 5.049 18.996 1.00 28.13 C ATOM 445 CG LYS A 46 7.943 4.251 20.315 1.00 30.55 C ATOM 446 CD LYS A 46 9.342 4.038 20.883 1.00 32.09 C ATOM 447 CE LYS A 46 9.325 3.279 22.217 1.00 32.67 C ATOM 448 NZ LYS A 46 8.654 4.020 23.320 1.00 33.09 N ATOM 449 HZ1 LYS A 46 9.149 4.920 23.482 1.00 0.00 H ATOM 450 HZ2 LYS A 46 7.665 4.208 23.058 1.00 0.00 H ATOM 451 HZ3 LYS A 46 8.681 3.447 24.188 1.00 0.00 H ATOM 452 H LYS A 46 5.474 4.207 18.178 1.00 0.00 H ATOM 453 N ARG A 47 7.331 7.585 17.128 1.00 19.63 N ATOM 454 CA ARG A 47 7.493 8.137 15.782 1.00 18.41 C ATOM 455 C ARG A 47 8.955 8.283 15.362 1.00 17.01 C ATOM 456 O ARG A 47 9.197 8.606 14.190 1.00 16.38 O ATOM 457 CB ARG A 47 6.719 9.487 15.685 1.00 20.35 C ATOM 458 CG ARG A 47 7.283 10.612 16.529 1.00 21.27 C ATOM 459 CD ARG A 47 6.333 11.838 16.575 1.00 23.07 C ATOM 460 NE ARG A 47 6.839 12.862 17.494 1.00 24.51 N ATOM 461 CZ ARG A 47 6.173 13.989 17.752 1.00 25.29 C ATOM 462 NH1 ARG A 47 5.004 14.175 17.151 1.00 26.70 N ATOM 463 NH2 ARG A 47 6.653 14.906 18.618 1.00 25.57 N ATOM 464 HE ARG A 47 7.753 12.704 17.963 1.00 0.00 H ATOM 465 HH12 ARG A 47 4.459 15.043 17.330 1.00 0.00 H ATOM 466 HH11 ARG A 47 4.633 13.453 16.501 1.00 0.00 H ATOM 467 HH22 ARG A 47 6.116 15.777 18.803 1.00 0.00 H ATOM 468 HH21 ARG A 47 7.560 14.741 19.100 1.00 0.00 H ATOM 469 H ARG A 47 7.651 8.133 17.952 1.00 0.00 H ATOM 470 N LYS A 48 9.914 8.145 16.281 1.00 17.11 N ATOM 471 CA LYS A 48 11.341 8.360 15.992 1.00 17.07 C ATOM 472 C LYS A 48 12.034 7.021 16.001 1.00 16.51 C ATOM 473 O LYS A 48 11.998 6.288 16.972 1.00 17.29 O ATOM 474 CB LYS A 48 11.977 9.319 17.021 1.00 18.63 C ATOM 475 CG LYS A 48 11.243 10.676 17.110 1.00 19.66 C ATOM 476 CD LYS A 48 11.982 11.681 17.977 1.00 21.10 C ATOM 477 CE LYS A 48 12.150 11.168 19.367 1.00 22.81 C ATOM 478 NZ LYS A 48 12.614 12.274 20.282 1.00 24.20 N ATOM 479 HZ1 LYS A 48 13.526 12.643 19.944 1.00 0.00 H ATOM 480 HZ2 LYS A 48 11.909 13.039 20.285 1.00 0.00 H ATOM 481 HZ3 LYS A 48 12.726 11.901 21.246 1.00 0.00 H ATOM 482 H LYS A 48 9.640 7.873 17.246 1.00 0.00 H ATOM 483 N TYR A 49 12.624 6.665 14.840 1.00 15.27 N ATOM 484 CA TYR A 49 13.286 5.374 14.730 1.00 16.03 C ATOM 485 C TYR A 49 14.759 5.512 14.352 1.00 16.68 C ATOM 486 O TYR A 49 15.137 6.362 13.531 1.00 16.90 O ATOM 487 CB TYR A 49 12.569 4.555 13.631 1.00 16.61 C ATOM 488 CG TYR A 49 11.182 4.165 14.091 1.00 18.21 C ATOM 489 CD1 TYR A 49 10.117 5.028 13.918 1.00 18.52 C ATOM 490 CD2 TYR A 49 10.964 2.978 14.774 1.00 20.42 C ATOM 491 CE1 TYR A 49 8.885 4.719 14.416 1.00 19.81 C ATOM 492 CE2 TYR A 49 9.750 2.620 15.243 1.00 21.33 C ATOM 493 CZ TYR A 49 8.691 3.499 15.091 1.00 21.13 C ATOM 494 OH TYR A 49 7.466 3.179 15.610 1.00 22.26 O ATOM 495 HH TYR A 49 6.826 3.908 15.415 1.00 0.00 H ATOM 496 H TYR A 49 12.605 7.312 14.026 1.00 0.00 H ATOM 497 N LEU A 50 15.591 4.649 14.930 1.00 17.51 N ATOM 498 CA LEU A 50 16.993 4.536 14.515 1.00 18.13 C ATOM 499 C LEU A 50 17.075 3.303 13.633 1.00 17.65 C ATOM 500 O LEU A 50 16.872 2.181 14.112 1.00 19.83 O ATOM 501 CB LEU A 50 17.875 4.361 15.740 1.00 20.47 C ATOM 502 CG LEU A 50 17.912 5.569 16.649 1.00 22.91 C ATOM 503 CD1 LEU A 50 18.574 5.220 17.970 1.00 24.37 C ATOM 504 CD2 LEU A 50 18.693 6.606 15.898 1.00 23.48 C ATOM 505 H LEU A 50 15.238 4.039 15.695 1.00 0.00 H ATOM 506 N VAL A 51 17.345 3.524 12.353 1.00 16.45 N ATOM 507 CA VAL A 51 17.246 2.468 11.333 1.00 16.95 C ATOM 508 C VAL A 51 18.638 2.058 10.867 1.00 16.87 C ATOM 509 O VAL A 51 19.437 2.928 10.490 1.00 16.68 O ATOM 510 CB VAL A 51 16.385 2.927 10.166 1.00 17.65 C ATOM 511 CG1 VAL A 51 16.167 1.771 9.154 1.00 18.14 C ATOM 512 CG2 VAL A 51 15.040 3.441 10.756 1.00 17.24 C ATOM 513 H VAL A 51 17.637 4.478 12.060 1.00 0.00 H ATOM 514 N PRO A 52 18.989 0.776 10.954 1.00 16.57 N ATOM 515 CA PRO A 52 20.223 0.308 10.319 1.00 16.77 C ATOM 516 C PRO A 52 20.290 0.676 8.840 1.00 17.15 C ATOM 517 O PRO A 52 19.349 0.445 8.091 1.00 16.70 O ATOM 518 CB PRO A 52 20.123 -1.216 10.465 1.00 17.57 C ATOM 519 CG PRO A 52 19.331 -1.427 11.704 1.00 17.22 C ATOM 520 CD PRO A 52 18.265 -0.340 11.590 1.00 16.56 C ATOM 521 N SER A 53 21.417 1.248 8.429 1.00 18.15 N ATOM 522 CA SER A 53 21.511 1.814 7.088 1.00 19.17 C ATOM 523 C SER A 53 21.349 0.738 6.010 1.00 18.82 C ATOM 524 O SER A 53 20.916 1.033 4.875 1.00 19.48 O ATOM 525 CB SER A 53 22.857 2.537 6.906 1.00 20.85 C ATOM 526 OG SER A 53 23.962 1.677 7.162 1.00 23.37 O ATOM 527 HG SER A 53 23.934 0.911 6.536 1.00 0.00 H ATOM 528 H SER A 53 22.237 1.292 9.067 1.00 0.00 H ATOM 529 N ASP A 54 21.702 -0.511 6.329 1.00 18.08 N ATOM 530 CA ASP A 54 21.595 -1.569 5.326 1.00 17.75 C ATOM 531 C ASP A 54 20.277 -2.338 5.362 1.00 17.08 C ATOM 532 O ASP A 54 20.166 -3.353 4.674 1.00 17.48 O ATOM 533 CB ASP A 54 22.808 -2.535 5.398 1.00 20.77 C ATOM 534 CG ASP A 54 23.180 -3.130 4.053 1.00 24.89 C ATOM 535 OD1 ASP A 54 23.122 -2.431 3.008 1.00 25.75 O ATOM 536 OD2 ASP A 54 23.612 -4.310 4.056 1.00 27.10 O ATOM 537 H ASP A 54 22.050 -0.729 7.284 1.00 0.00 H ATOM 538 N LEU A 55 19.277 -1.917 6.144 1.00 15.70 N ATOM 539 CA LEU A 55 17.935 -2.507 6.024 1.00 15.80 C ATOM 540 C LEU A 55 17.398 -2.289 4.608 1.00 15.54 C ATOM 541 O LEU A 55 17.499 -1.195 4.045 1.00 16.51 O ATOM 542 CB LEU A 55 16.970 -1.819 7.014 1.00 18.15 C ATOM 543 CG LEU A 55 16.960 -2.343 8.413 1.00 20.31 C ATOM 544 CD1 LEU A 55 15.532 -1.920 8.998 1.00 20.21 C ATOM 545 CD2 LEU A 55 17.289 -3.820 8.531 1.00 22.65 C ATOM 546 H LEU A 55 19.450 -1.166 6.843 1.00 0.00 H ATOM 547 N THR A 56 16.772 -3.313 4.045 1.00 15.62 N ATOM 548 CA THR A 56 16.084 -3.086 2.784 1.00 14.63 C ATOM 549 C THR A 56 14.735 -2.427 3.064 1.00 13.79 C ATOM 550 O THR A 56 14.232 -2.496 4.192 1.00 13.55 O ATOM 551 CB THR A 56 15.835 -4.428 2.035 1.00 15.60 C ATOM 552 OG1 THR A 56 14.883 -5.194 2.778 1.00 14.95 O ATOM 553 CG2 THR A 56 17.190 -5.229 1.839 1.00 16.74 C ATOM 554 HG1 THR A 56 15.240 -5.374 3.684 1.00 0.00 H ATOM 555 H THR A 56 16.773 -4.252 4.492 1.00 0.00 H ATOM 556 N VAL A 57 14.145 -1.863 2.031 1.00 13.44 N ATOM 557 CA VAL A 57 12.816 -1.222 2.204 1.00 13.75 C ATOM 558 C VAL A 57 11.814 -2.255 2.689 1.00 14.48 C ATOM 559 O VAL A 57 11.016 -1.992 3.596 1.00 14.30 O ATOM 560 CB VAL A 57 12.405 -0.554 0.887 1.00 15.32 C ATOM 561 CG1 VAL A 57 10.892 -0.174 0.862 1.00 16.28 C ATOM 562 CG2 VAL A 57 13.270 0.695 0.700 1.00 16.68 C ATOM 563 H VAL A 57 14.607 -1.866 1.099 1.00 0.00 H ATOM 564 N GLY A 58 11.816 -3.454 2.121 1.00 14.78 N ATOM 565 CA GLY A 58 10.885 -4.473 2.569 1.00 15.37 C ATOM 566 C GLY A 58 11.087 -4.883 4.016 1.00 14.97 C ATOM 567 O GLY A 58 10.113 -5.159 4.725 1.00 14.57 O ATOM 568 H GLY A 58 12.486 -3.664 1.354 1.00 0.00 H ATOM 569 N GLN A 59 12.343 -4.956 4.456 1.00 13.68 N ATOM 570 CA GLN A 59 12.617 -5.289 5.839 1.00 13.49 C ATOM 571 C GLN A 59 12.083 -4.189 6.762 1.00 14.09 C ATOM 572 O GLN A 59 11.523 -4.476 7.831 1.00 14.08 O ATOM 573 CB GLN A 59 14.132 -5.449 6.019 1.00 13.85 C ATOM 574 CG GLN A 59 14.606 -6.779 5.427 1.00 14.99 C ATOM 575 CD GLN A 59 16.077 -6.800 5.142 1.00 15.11 C ATOM 576 OE1 GLN A 59 16.831 -5.882 5.432 1.00 16.00 O ATOM 577 NE2 GLN A 59 16.518 -7.889 4.467 1.00 16.62 N ATOM 578 HE22 GLN A 59 15.858 -8.657 4.231 1.00 0.00 H ATOM 579 HE21 GLN A 59 17.517 -7.956 4.184 1.00 0.00 H ATOM 580 H GLN A 59 13.131 -4.773 3.803 1.00 0.00 H ATOM 581 N PHE A 60 12.237 -2.952 6.327 1.00 14.58 N ATOM 582 CA PHE A 60 11.681 -1.838 7.114 1.00 14.13 C ATOM 583 C PHE A 60 10.169 -1.927 7.153 1.00 13.84 C ATOM 584 O PHE A 60 9.560 -1.772 8.225 1.00 14.45 O ATOM 585 CB PHE A 60 12.120 -0.518 6.489 1.00 14.10 C ATOM 586 CG PHE A 60 11.569 0.702 7.142 1.00 15.12 C ATOM 587 CD1 PHE A 60 12.144 1.132 8.324 1.00 15.14 C ATOM 588 CD2 PHE A 60 10.594 1.432 6.527 1.00 15.87 C ATOM 589 CE1 PHE A 60 11.649 2.306 8.951 1.00 16.24 C ATOM 590 CE2 PHE A 60 10.055 2.585 7.177 1.00 16.63 C ATOM 591 CZ PHE A 60 10.639 3.029 8.343 1.00 16.77 C ATOM 592 H PHE A 60 12.745 -2.766 5.439 1.00 0.00 H ATOM 593 N TYR A 61 9.524 -2.235 6.021 1.00 14.17 N ATOM 594 CA TYR A 61 8.070 -2.362 6.004 1.00 14.27 C ATOM 595 C TYR A 61 7.621 -3.391 7.021 1.00 14.83 C ATOM 596 O TYR A 61 6.655 -3.180 7.776 1.00 15.50 O ATOM 597 CB TYR A 61 7.583 -2.866 4.638 1.00 14.53 C ATOM 598 CG TYR A 61 7.637 -1.907 3.490 1.00 15.09 C ATOM 599 CD1 TYR A 61 7.954 -0.550 3.640 1.00 15.49 C ATOM 600 CD2 TYR A 61 7.314 -2.361 2.219 1.00 16.00 C ATOM 601 CE1 TYR A 61 7.946 0.311 2.580 1.00 15.79 C ATOM 602 CE2 TYR A 61 7.295 -1.506 1.150 1.00 16.78 C ATOM 603 CZ TYR A 61 7.589 -0.180 1.314 1.00 16.89 C ATOM 604 OH TYR A 61 7.536 0.641 0.221 1.00 17.86 O ATOM 605 HH TYR A 61 8.178 0.322 -0.461 1.00 0.00 H ATOM 606 H TYR A 61 10.064 -2.385 5.145 1.00 0.00 H ATOM 607 N PHE A 62 8.289 -4.531 7.030 1.00 15.74 N ATOM 608 CA PHE A 62 7.944 -5.607 7.937 1.00 16.72 C ATOM 609 C PHE A 62 8.052 -5.150 9.373 1.00 16.16 C ATOM 610 O PHE A 62 7.109 -5.332 10.146 1.00 17.09 O ATOM 611 CB PHE A 62 8.907 -6.757 7.692 1.00 18.42 C ATOM 612 CG PHE A 62 9.002 -7.722 8.817 1.00 21.58 C ATOM 613 CD1 PHE A 62 7.980 -8.618 9.064 1.00 23.80 C ATOM 614 CD2 PHE A 62 10.113 -7.748 9.641 1.00 23.06 C ATOM 615 CE1 PHE A 62 8.073 -9.527 10.114 1.00 25.06 C ATOM 616 CE2 PHE A 62 10.200 -8.664 10.681 1.00 24.26 C ATOM 617 CZ PHE A 62 9.167 -9.532 10.914 1.00 24.96 C ATOM 618 H PHE A 62 9.082 -4.659 6.370 1.00 0.00 H ATOM 619 N LEU A 63 9.141 -4.453 9.733 1.00 15.72 N ATOM 620 CA LEU A 63 9.303 -4.036 11.130 1.00 14.95 C ATOM 621 C LEU A 63 8.246 -3.018 11.553 1.00 15.10 C ATOM 622 O LEU A 63 7.739 -3.083 12.696 1.00 16.23 O ATOM 623 CB LEU A 63 10.669 -3.415 11.348 1.00 15.27 C ATOM 624 CG LEU A 63 11.843 -4.412 11.228 1.00 15.99 C ATOM 625 CD1 LEU A 63 13.183 -3.700 11.387 1.00 17.38 C ATOM 626 CD2 LEU A 63 11.680 -5.409 12.292 1.00 16.72 C ATOM 627 H LEU A 63 9.865 -4.210 9.027 1.00 0.00 H ATOM 628 N ILE A 64 7.963 -2.047 10.702 1.00 14.60 N ATOM 629 CA ILE A 64 6.942 -1.033 11.024 1.00 14.83 C ATOM 630 C ILE A 64 5.559 -1.645 11.060 1.00 15.50 C ATOM 631 O ILE A 64 4.756 -1.365 11.956 1.00 16.21 O ATOM 632 CB ILE A 64 7.029 0.171 10.078 1.00 15.74 C ATOM 633 CG1 ILE A 64 8.411 0.840 10.179 1.00 16.55 C ATOM 634 CG2 ILE A 64 5.831 1.159 10.410 1.00 16.70 C ATOM 635 CD1 ILE A 64 8.855 1.203 11.621 1.00 17.00 C ATOM 636 H ILE A 64 8.467 -1.998 9.794 1.00 0.00 H ATOM 637 N ARG A 65 5.225 -2.464 10.091 1.00 15.19 N ATOM 638 CA ARG A 65 3.928 -3.111 10.079 1.00 15.12 C ATOM 639 C ARG A 65 3.669 -3.868 11.373 1.00 16.43 C ATOM 640 O ARG A 65 2.579 -3.775 11.933 1.00 17.53 O ATOM 641 CB ARG A 65 3.814 -4.045 8.855 1.00 15.87 C ATOM 642 CG ARG A 65 2.390 -4.613 8.711 1.00 17.56 C ATOM 643 CD ARG A 65 2.196 -5.531 7.487 1.00 17.35 C ATOM 644 NE ARG A 65 0.890 -6.159 7.639 1.00 18.11 N ATOM 645 CZ ARG A 65 -0.264 -5.693 7.147 1.00 18.44 C ATOM 646 NH1 ARG A 65 -0.293 -4.673 6.288 1.00 17.88 N ATOM 647 NH2 ARG A 65 -1.407 -6.253 7.519 1.00 18.79 N ATOM 648 HE ARG A 65 0.851 -7.048 8.177 1.00 0.00 H ATOM 649 HH12 ARG A 65 -1.203 -4.329 5.920 1.00 0.00 H ATOM 650 HH11 ARG A 65 0.594 -4.222 5.986 1.00 0.00 H ATOM 651 HH22 ARG A 65 -2.308 -5.897 7.141 1.00 0.00 H ATOM 652 HH21 ARG A 65 -1.402 -7.049 8.189 1.00 0.00 H ATOM 653 H ARG A 65 5.899 -2.651 9.322 1.00 0.00 H ATOM 654 N LYS A 66 4.638 -4.639 11.858 1.00 17.85 N ATOM 655 CA LYS A 66 4.450 -5.357 13.117 1.00 19.59 C ATOM 656 C LYS A 66 4.112 -4.404 14.282 1.00 20.85 C ATOM 657 O LYS A 66 3.304 -4.753 15.147 1.00 22.39 O ATOM 658 CB LYS A 66 5.698 -6.190 13.429 1.00 21.56 C ATOM 659 H LYS A 66 5.534 -4.731 11.339 1.00 0.00 H ATOM 660 N ARG A 67 4.653 -3.183 14.302 1.00 21.43 N ATOM 661 CA ARG A 67 4.393 -2.267 15.408 1.00 22.17 C ATOM 662 C ARG A 67 3.040 -1.590 15.297 1.00 22.54 C ATOM 663 O ARG A 67 2.568 -1.019 16.295 1.00 22.92 O ATOM 664 CB ARG A 67 5.512 -1.228 15.479 1.00 22.68 C ATOM 665 CG ARG A 67 6.824 -1.856 15.887 1.00 23.37 C ATOM 666 CD ARG A 67 8.072 -1.065 15.491 1.00 25.24 C ATOM 667 NE ARG A 67 9.233 -1.612 16.189 1.00 26.44 N ATOM 668 CZ ARG A 67 9.798 -2.797 15.946 1.00 26.90 C ATOM 669 NH1 ARG A 67 9.343 -3.620 14.987 1.00 26.59 N ATOM 670 NH2 ARG A 67 10.820 -3.166 16.694 1.00 27.99 N ATOM 671 HE ARG A 67 9.655 -1.029 16.939 1.00 0.00 H ATOM 672 HH12 ARG A 67 9.807 -4.536 14.825 1.00 0.00 H ATOM 673 HH11 ARG A 67 8.526 -3.341 14.407 1.00 0.00 H ATOM 674 HH22 ARG A 67 11.281 -4.084 16.529 1.00 0.00 H ATOM 675 HH21 ARG A 67 11.165 -2.539 17.449 1.00 0.00 H ATOM 676 H ARG A 67 5.268 -2.881 13.519 1.00 0.00 H ATOM 677 N ILE A 68 2.424 -1.604 14.123 1.00 22.96 N ATOM 678 CA ILE A 68 1.096 -1.002 13.951 1.00 24.34 C ATOM 679 C ILE A 68 -0.003 -1.958 14.412 1.00 26.61 C ATOM 680 O ILE A 68 -1.120 -1.516 14.720 1.00 27.76 O ATOM 681 CB ILE A 68 0.882 -0.604 12.467 1.00 23.98 C ATOM 682 CG1 ILE A 68 1.895 0.443 11.959 1.00 24.17 C ATOM 683 CG2 ILE A 68 -0.546 -0.078 12.238 1.00 23.69 C ATOM 684 CD1 ILE A 68 1.695 0.829 10.495 1.00 25.09 C ATOM 685 H ILE A 68 2.891 -2.050 13.308 1.00 0.00 H ATOM 686 N HIS A 69 0.263 -3.260 14.494 1.00 27.04 N ATOM 687 CA HIS A 69 -0.735 -4.252 14.917 1.00 28.12 C ATOM 688 C HIS A 69 -1.989 -4.207 14.039 1.00 28.31 C ATOM 689 O HIS A 69 -3.098 -3.933 14.489 1.00 30.34 O ATOM 690 CB HIS A 69 -1.081 -4.094 16.410 1.00 30.14 C ATOM 691 CG HIS A 69 0.123 -4.188 17.286 1.00 32.43 C ATOM 692 ND1 HIS A 69 0.685 -5.394 17.641 1.00 33.80 N ATOM 693 CD2 HIS A 69 0.917 -3.229 17.815 1.00 33.38 C ATOM 694 CE1 HIS A 69 1.766 -5.173 18.371 1.00 34.15 C ATOM 695 NE2 HIS A 69 1.926 -3.867 18.494 1.00 34.08 N ATOM 696 H HIS A 69 1.218 -3.589 14.248 1.00 0.00 H ATOM 697 N LEU A 70 -1.787 -4.442 12.752 1.00 26.33 N ATOM 698 CA LEU A 70 -2.894 -4.591 11.825 1.00 25.27 C ATOM 699 C LEU A 70 -3.270 -6.055 11.722 1.00 25.63 C ATOM 700 O LEU A 70 -2.430 -6.952 11.892 1.00 27.76 O ATOM 701 CB LEU A 70 -2.438 -4.150 10.436 1.00 24.66 C ATOM 702 CG LEU A 70 -2.138 -2.665 10.273 1.00 24.84 C ATOM 703 CD1 LEU A 70 -1.516 -2.408 8.891 1.00 24.82 C ATOM 704 CD2 LEU A 70 -3.431 -1.860 10.511 1.00 25.15 C ATOM 705 H LEU A 70 -0.813 -4.522 12.397 1.00 0.00 H ATOM 706 N ARG A 71 -4.510 -6.300 11.307 1.00 24.49 N ATOM 707 CA ARG A 71 -4.839 -7.639 10.821 1.00 23.81 C ATOM 708 C ARG A 71 -4.203 -7.851 9.453 1.00 22.73 C ATOM 709 O ARG A 71 -3.940 -6.890 8.730 1.00 21.36 O ATOM 710 CB ARG A 71 -6.348 -7.791 10.692 1.00 25.44 C ATOM 711 CG ARG A 71 -7.095 -7.401 11.988 1.00 29.10 C ATOM 712 CD ARG A 71 -8.530 -7.864 11.939 1.00 33.13 C ATOM 713 NE ARG A 71 -8.610 -9.327 11.878 1.00 36.49 N ATOM 714 CZ ARG A 71 -8.603 -10.121 12.949 1.00 39.18 C ATOM 715 NH1 ARG A 71 -8.511 -9.596 14.176 1.00 40.01 N ATOM 716 NH2 ARG A 71 -8.676 -11.440 12.790 1.00 40.19 N ATOM 717 HE ARG A 71 -8.676 -9.773 10.941 1.00 0.00 H ATOM 718 HH12 ARG A 71 -8.506 -10.219 15.009 1.00 0.00 H ATOM 719 HH11 ARG A 71 -8.445 -8.565 14.297 1.00 0.00 H ATOM 720 HH22 ARG A 71 -8.671 -12.065 13.621 1.00 0.00 H ATOM 721 HH21 ARG A 71 -8.738 -11.846 11.835 1.00 0.00 H ATOM 722 H ARG A 71 -5.233 -5.552 11.328 1.00 0.00 H ATOM 723 N PRO A 72 -3.934 -9.100 9.078 1.00 24.23 N ATOM 724 CA PRO A 72 -3.350 -9.325 7.753 1.00 24.02 C ATOM 725 C PRO A 72 -4.176 -8.741 6.639 1.00 21.62 C ATOM 726 O PRO A 72 -3.616 -8.305 5.625 1.00 20.45 O ATOM 727 CB PRO A 72 -3.273 -10.855 7.642 1.00 25.97 C ATOM 728 CG PRO A 72 -3.289 -11.321 9.073 1.00 26.79 C ATOM 729 CD PRO A 72 -4.070 -10.344 9.857 1.00 25.82 C ATOM 730 N GLU A 73 -5.495 -8.654 6.812 1.00 21.30 N ATOM 731 CA GLU A 73 -6.335 -8.188 5.714 1.00 22.06 C ATOM 732 C GLU A 73 -6.378 -6.667 5.600 1.00 20.52 C ATOM 733 O GLU A 73 -7.129 -6.146 4.773 1.00 21.23 O ATOM 734 CB GLU A 73 -7.742 -8.764 5.841 1.00 24.33 C ATOM 735 CG GLU A 73 -8.408 -8.429 7.188 1.00 28.04 C ATOM 736 CD GLU A 73 -8.320 -9.588 8.183 1.00 31.69 C ATOM 737 OE1 GLU A 73 -7.264 -10.279 8.228 1.00 32.62 O ATOM 738 OE2 GLU A 73 -9.326 -9.808 8.901 1.00 33.29 O ATOM 739 H GLU A 73 -5.922 -8.916 7.723 1.00 0.00 H ATOM 740 N ASP A 74 -5.595 -5.945 6.419 1.00 18.21 N ATOM 741 CA ASP A 74 -5.569 -4.485 6.413 1.00 19.74 C ATOM 742 C ASP A 74 -4.342 -4.062 5.614 1.00 19.16 C ATOM 743 O ASP A 74 -3.202 -4.385 5.999 1.00 20.13 O ATOM 744 CB ASP A 74 -5.425 -4.005 7.859 1.00 21.92 C ATOM 745 CG ASP A 74 -6.640 -4.328 8.710 1.00 24.96 C ATOM 746 OD1 ASP A 74 -7.702 -4.625 8.119 1.00 25.83 O ATOM 747 OD2 ASP A 74 -6.521 -4.240 9.963 1.00 26.04 O ATOM 748 H ASP A 74 -4.979 -6.449 7.088 1.00 0.00 H ATOM 749 N ALA A 75 -4.568 -3.394 4.472 1.00 18.97 N ATOM 750 CA ALA A 75 -3.439 -3.048 3.631 1.00 17.97 C ATOM 751 C ALA A 75 -2.641 -1.889 4.214 1.00 16.89 C ATOM 752 O ALA A 75 -3.156 -1.070 5.004 1.00 17.43 O ATOM 753 CB ALA A 75 -3.899 -2.662 2.229 1.00 18.09 C ATOM 754 H ALA A 75 -5.535 -3.130 4.196 1.00 0.00 H ATOM 755 N LEU A 76 -1.397 -1.761 3.778 1.00 16.42 N ATOM 756 CA LEU A 76 -0.484 -0.753 4.307 1.00 16.87 C ATOM 757 C LEU A 76 0.465 -0.275 3.223 1.00 16.32 C ATOM 758 O LEU A 76 1.057 -1.110 2.509 1.00 16.16 O ATOM 759 CB LEU A 76 0.302 -1.338 5.479 1.00 17.44 C ATOM 760 CG LEU A 76 1.318 -0.425 6.090 1.00 19.14 C ATOM 761 CD1 LEU A 76 0.623 0.767 6.726 1.00 19.96 C ATOM 762 CD2 LEU A 76 2.089 -1.218 7.110 1.00 20.34 C ATOM 763 H LEU A 76 -1.059 -2.402 3.032 1.00 0.00 H ATOM 764 N PHE A 77 0.628 1.053 3.097 1.00 15.84 N ATOM 765 CA PHE A 77 1.522 1.638 2.110 1.00 15.40 C ATOM 766 C PHE A 77 2.382 2.675 2.792 1.00 14.60 C ATOM 767 O PHE A 77 1.939 3.315 3.753 1.00 15.20 O ATOM 768 CB PHE A 77 0.804 2.262 0.917 1.00 14.73 C ATOM 769 CG PHE A 77 0.083 1.214 0.055 1.00 15.05 C ATOM 770 CD1 PHE A 77 -1.242 0.832 0.397 1.00 15.50 C ATOM 771 CD2 PHE A 77 0.721 0.612 -1.019 1.00 16.17 C ATOM 772 CE1 PHE A 77 -1.908 -0.139 -0.326 1.00 16.61 C ATOM 773 CE2 PHE A 77 0.039 -0.313 -1.722 1.00 16.56 C ATOM 774 CZ PHE A 77 -1.239 -0.708 -1.406 1.00 16.63 C ATOM 775 H PHE A 77 0.096 1.685 3.728 1.00 0.00 H ATOM 776 N PHE A 78 3.562 2.887 2.297 1.00 14.14 N ATOM 777 CA PHE A 78 4.525 3.840 2.805 1.00 13.68 C ATOM 778 C PHE A 78 4.917 4.808 1.712 1.00 13.10 C ATOM 779 O PHE A 78 5.047 4.439 0.526 1.00 14.46 O ATOM 780 CB PHE A 78 5.776 3.158 3.339 1.00 15.07 C ATOM 781 CG PHE A 78 5.558 2.245 4.507 1.00 14.17 C ATOM 782 CD1 PHE A 78 5.097 0.953 4.326 1.00 13.82 C ATOM 783 CD2 PHE A 78 5.780 2.699 5.819 1.00 15.08 C ATOM 784 CE1 PHE A 78 4.942 0.105 5.372 1.00 13.60 C ATOM 785 CE2 PHE A 78 5.597 1.841 6.902 1.00 15.62 C ATOM 786 CZ PHE A 78 5.150 0.558 6.715 1.00 14.35 C ATOM 787 H PHE A 78 3.839 2.326 1.466 1.00 0.00 H ATOM 788 N PHE A 79 5.249 6.023 2.093 1.00 13.55 N ATOM 789 CA PHE A 79 5.521 7.116 1.176 1.00 14.40 C ATOM 790 C PHE A 79 6.736 7.881 1.678 1.00 15.62 C ATOM 791 O PHE A 79 6.851 8.191 2.874 1.00 16.21 O ATOM 792 CB PHE A 79 4.324 8.083 1.063 1.00 15.38 C ATOM 793 CG PHE A 79 3.075 7.385 0.671 1.00 15.76 C ATOM 794 CD1 PHE A 79 2.772 7.169 -0.676 1.00 16.93 C ATOM 795 CD2 PHE A 79 2.229 6.872 1.635 1.00 16.06 C ATOM 796 CE1 PHE A 79 1.641 6.465 -1.036 1.00 17.08 C ATOM 797 CE2 PHE A 79 1.097 6.153 1.289 1.00 16.01 C ATOM 798 CZ PHE A 79 0.830 5.944 -0.072 1.00 16.59 C ATOM 799 H PHE A 79 5.321 6.212 3.113 1.00 0.00 H ATOM 800 N VAL A 80 7.633 8.214 0.774 1.00 16.49 N ATOM 801 CA VAL A 80 8.682 9.186 1.030 1.00 18.05 C ATOM 802 C VAL A 80 8.519 10.289 0.002 1.00 19.82 C ATOM 803 O VAL A 80 8.412 9.997 -1.190 1.00 20.61 O ATOM 804 CB VAL A 80 10.075 8.539 0.928 1.00 19.16 C ATOM 805 CG1 VAL A 80 11.183 9.601 0.930 1.00 20.02 C ATOM 806 CG2 VAL A 80 10.279 7.589 2.070 1.00 19.05 C ATOM 807 H VAL A 80 7.589 7.763 -0.162 1.00 0.00 H ATOM 808 N ASN A 81 8.427 11.546 0.449 1.00 22.76 N ATOM 809 CA ASN A 81 8.097 12.650 -0.461 1.00 26.05 C ATOM 810 C ASN A 81 6.906 12.310 -1.351 1.00 26.09 C ATOM 811 O ASN A 81 6.933 12.524 -2.568 1.00 26.55 O ATOM 812 CB ASN A 81 9.294 13.065 -1.311 1.00 29.12 C ATOM 813 CG ASN A 81 10.329 13.796 -0.507 1.00 31.67 C ATOM 814 OD1 ASN A 81 9.998 14.643 0.324 1.00 32.63 O ATOM 815 ND2 ASN A 81 11.601 13.457 -0.729 1.00 32.60 N ATOM 816 HD22 ASN A 81 11.830 12.735 -1.442 1.00 0.00 H ATOM 817 HD21 ASN A 81 12.363 13.914 -0.189 1.00 0.00 H ATOM 818 H ASN A 81 8.592 11.745 1.456 1.00 0.00 H ATOM 819 N ASN A 82 5.891 11.708 -0.743 1.00 25.89 N ATOM 820 CA ASN A 82 4.556 11.534 -1.273 1.00 26.65 C ATOM 821 C ASN A 82 4.497 10.405 -2.285 1.00 23.63 C ATOM 822 O ASN A 82 3.447 10.190 -2.926 1.00 23.56 O ATOM 823 CB ASN A 82 3.952 12.816 -1.853 1.00 30.39 C ATOM 824 CG ASN A 82 3.754 13.891 -0.816 1.00 32.75 C ATOM 825 OD1 ASN A 82 4.166 13.758 0.343 1.00 32.89 O ATOM 826 ND2 ASN A 82 3.103 14.968 -1.223 1.00 34.41 N ATOM 827 HD22 ASN A 82 2.775 15.036 -2.208 1.00 0.00 H ATOM 828 HD21 ASN A 82 2.919 15.747 -0.558 1.00 0.00 H ATOM 829 H ASN A 82 6.073 11.324 0.206 1.00 0.00 H ATOM 830 N THR A 83 5.591 9.667 -2.445 1.00 21.94 N ATOM 831 CA THR A 83 5.686 8.587 -3.426 1.00 23.23 C ATOM 832 C THR A 83 6.066 7.293 -2.725 1.00 20.15 C ATOM 833 O THR A 83 6.890 7.300 -1.815 1.00 20.14 O ATOM 834 CB THR A 83 6.808 8.914 -4.428 1.00 27.95 C ATOM 835 OG1 THR A 83 6.532 10.193 -4.998 1.00 30.32 O ATOM 836 CG2 THR A 83 6.925 7.874 -5.544 1.00 29.41 C ATOM 837 HG1 THR A 83 6.505 10.874 -4.280 1.00 0.00 H ATOM 838 H THR A 83 6.417 9.867 -1.845 1.00 0.00 H ATOM 839 N ILE A 84 5.544 6.165 -3.200 1.00 18.03 N ATOM 840 CA ILE A 84 5.978 4.902 -2.614 1.00 16.49 C ATOM 841 C ILE A 84 7.420 4.668 -3.018 1.00 17.18 C ATOM 842 O ILE A 84 7.717 4.703 -4.227 1.00 18.22 O ATOM 843 CB ILE A 84 5.082 3.756 -3.093 1.00 16.92 C ATOM 844 CG1 ILE A 84 3.625 3.941 -2.675 1.00 17.10 C ATOM 845 CG2 ILE A 84 5.612 2.390 -2.613 1.00 18.04 C ATOM 846 CD1 ILE A 84 2.686 2.922 -3.306 1.00 17.59 C ATOM 847 H ILE A 84 4.844 6.184 -3.969 1.00 0.00 H ATOM 848 N PRO A 85 8.329 4.389 -2.098 1.00 18.39 N ATOM 849 CA PRO A 85 9.741 4.174 -2.483 1.00 19.75 C ATOM 850 C PRO A 85 9.955 2.896 -3.285 1.00 20.67 C ATOM 851 O PRO A 85 9.135 1.966 -3.269 1.00 20.36 O ATOM 852 CB PRO A 85 10.461 4.133 -1.125 1.00 20.29 C ATOM 853 CG PRO A 85 9.479 3.533 -0.224 1.00 19.81 C ATOM 854 CD PRO A 85 8.105 4.055 -0.689 1.00 18.77 C ATOM 855 N PRO A 86 11.064 2.811 -4.011 1.00 21.88 N ATOM 856 CA PRO A 86 11.347 1.572 -4.748 1.00 21.59 C ATOM 857 C PRO A 86 11.665 0.475 -3.743 1.00 20.46 C ATOM 858 O PRO A 86 12.354 0.712 -2.746 1.00 20.36 O ATOM 859 CB PRO A 86 12.578 1.922 -5.594 1.00 23.15 C ATOM 860 CG PRO A 86 13.229 3.050 -4.807 1.00 23.51 C ATOM 861 CD PRO A 86 12.118 3.830 -4.180 1.00 23.14 C ATOM 862 N THR A 87 11.186 -0.738 -4.026 1.00 19.02 N ATOM 863 CA THR A 87 11.416 -1.825 -3.094 1.00 19.33 C ATOM 864 C THR A 87 12.886 -2.226 -3.074 1.00 19.23 C ATOM 865 O THR A 87 13.410 -2.646 -2.032 1.00 19.46 O ATOM 866 CB THR A 87 10.603 -3.037 -3.546 1.00 20.49 C ATOM 867 OG1 THR A 87 9.215 -2.739 -3.471 1.00 20.78 O ATOM 868 CG2 THR A 87 10.904 -4.233 -2.683 1.00 21.97 C ATOM 869 HG1 THR A 87 8.977 -2.514 -2.537 1.00 0.00 H ATOM 870 H THR A 87 10.654 -0.902 -4.905 1.00 0.00 H ATOM 871 N SER A 88 13.567 -2.094 -4.204 1.00 20.03 N ATOM 872 CA SER A 88 14.952 -2.548 -4.322 1.00 21.18 C ATOM 873 C SER A 88 15.956 -1.559 -3.751 1.00 22.08 C ATOM 874 O SER A 88 17.121 -1.594 -4.129 1.00 23.44 O ATOM 875 CB SER A 88 15.298 -2.891 -5.775 1.00 22.03 C ATOM 876 OG SER A 88 14.941 -4.230 -6.041 1.00 22.59 O ATOM 877 HG SER A 88 15.165 -4.450 -6.980 1.00 0.00 H ATOM 878 H SER A 88 13.105 -1.657 -5.027 1.00 0.00 H ATOM 879 N ALA A 89 15.545 -0.681 -2.858 1.00 21.57 N ATOM 880 CA ALA A 89 16.446 0.223 -2.179 1.00 20.16 C ATOM 881 C ALA A 89 16.715 -0.269 -0.763 1.00 18.20 C ATOM 882 O ALA A 89 16.027 -1.146 -0.235 1.00 17.32 O ATOM 883 CB ALA A 89 15.820 1.610 -2.191 1.00 21.54 C ATOM 884 H ALA A 89 14.531 -0.637 -2.633 1.00 0.00 H ATOM 885 N THR A 90 17.792 0.264 -0.194 1.00 16.77 N ATOM 886 CA THR A 90 17.963 0.228 1.254 1.00 16.25 C ATOM 887 C THR A 90 17.517 1.528 1.915 1.00 15.68 C ATOM 888 O THR A 90 17.362 2.569 1.279 1.00 15.83 O ATOM 889 CB THR A 90 19.428 -0.050 1.618 1.00 17.21 C ATOM 890 OG1 THR A 90 20.228 1.058 1.192 1.00 17.29 O ATOM 891 CG2 THR A 90 19.901 -1.400 0.959 1.00 18.64 C ATOM 892 HG1 THR A 90 21.175 0.887 1.423 1.00 0.00 H ATOM 893 H THR A 90 18.520 0.711 -0.787 1.00 0.00 H ATOM 894 N MET A 91 17.384 1.413 3.226 1.00 15.13 N ATOM 895 CA MET A 91 16.965 2.609 3.967 1.00 14.83 C ATOM 896 C MET A 91 18.060 3.640 4.009 1.00 15.44 C ATOM 897 O MET A 91 17.795 4.832 3.924 1.00 15.74 O ATOM 898 CB MET A 91 16.556 2.235 5.381 1.00 15.88 C ATOM 899 CG MET A 91 15.318 1.361 5.408 1.00 16.65 C ATOM 900 SD MET A 91 13.838 2.067 4.618 1.00 18.08 S ATOM 901 CE MET A 91 13.500 3.470 5.699 1.00 18.52 C ATOM 902 H MET A 91 17.569 0.512 3.712 1.00 0.00 H ATOM 903 N GLY A 92 19.318 3.211 4.005 1.00 15.65 N ATOM 904 CA GLY A 92 20.385 4.180 3.822 1.00 15.64 C ATOM 905 C GLY A 92 20.339 4.892 2.477 1.00 16.16 C ATOM 906 O GLY A 92 20.641 6.078 2.393 1.00 17.42 O ATOM 907 H GLY A 92 19.534 2.202 4.130 1.00 0.00 H ATOM 908 N GLN A 93 19.952 4.185 1.397 1.00 16.09 N ATOM 909 CA GLN A 93 19.779 4.867 0.120 1.00 16.82 C ATOM 910 C GLN A 93 18.658 5.910 0.217 1.00 16.80 C ATOM 911 O GLN A 93 18.783 7.017 -0.299 1.00 17.51 O ATOM 912 CB GLN A 93 19.481 3.826 -0.983 1.00 19.40 C ATOM 913 CG GLN A 93 19.126 4.461 -2.326 1.00 21.56 C ATOM 914 CD GLN A 93 18.761 3.391 -3.366 1.00 25.08 C ATOM 915 OE1 GLN A 93 19.298 2.307 -3.327 1.00 26.53 O ATOM 916 NE2 GLN A 93 17.801 3.676 -4.194 1.00 27.15 N ATOM 917 HE22 GLN A 93 17.373 4.624 -4.187 1.00 0.00 H ATOM 918 HE21 GLN A 93 17.461 2.956 -4.864 1.00 0.00 H ATOM 919 H GLN A 93 19.778 3.162 1.474 1.00 0.00 H ATOM 920 N LEU A 94 17.518 5.483 0.708 1.00 16.37 N ATOM 921 CA LEU A 94 16.423 6.446 0.886 1.00 16.09 C ATOM 922 C LEU A 94 16.857 7.649 1.708 1.00 15.75 C ATOM 923 O LEU A 94 16.561 8.801 1.350 1.00 16.55 O ATOM 924 CB LEU A 94 15.230 5.758 1.537 1.00 17.15 C ATOM 925 CG LEU A 94 14.530 4.658 0.693 1.00 18.73 C ATOM 926 CD1 LEU A 94 13.185 4.318 1.292 1.00 20.31 C ATOM 927 CD2 LEU A 94 14.354 5.153 -0.769 1.00 19.61 C ATOM 928 H LEU A 94 17.393 4.483 0.966 1.00 0.00 H ATOM 929 N TYR A 95 17.590 7.391 2.782 1.00 15.67 N ATOM 930 CA TYR A 95 18.090 8.493 3.589 1.00 16.12 C ATOM 931 C TYR A 95 19.039 9.355 2.799 1.00 16.90 C ATOM 932 O TYR A 95 18.904 10.572 2.772 1.00 16.86 O ATOM 933 CB TYR A 95 18.742 7.912 4.833 1.00 17.00 C ATOM 934 CG TYR A 95 19.237 8.958 5.758 1.00 16.36 C ATOM 935 CD1 TYR A 95 20.498 9.499 5.649 1.00 16.04 C ATOM 936 CD2 TYR A 95 18.411 9.411 6.797 1.00 15.60 C ATOM 937 CE1 TYR A 95 20.959 10.479 6.541 1.00 17.01 C ATOM 938 CE2 TYR A 95 18.851 10.410 7.689 1.00 16.09 C ATOM 939 CZ TYR A 95 20.109 10.904 7.508 1.00 17.42 C ATOM 940 OH TYR A 95 20.598 11.855 8.323 1.00 18.39 O ATOM 941 HH TYR A 95 20.022 12.659 8.273 1.00 0.00 H ATOM 942 H TYR A 95 17.806 6.408 3.046 1.00 0.00 H ATOM 943 N GLU A 96 19.970 8.731 2.050 1.00 18.73 N ATOM 944 CA GLU A 96 20.941 9.518 1.290 1.00 21.76 C ATOM 945 C GLU A 96 20.222 10.446 0.326 1.00 21.77 C ATOM 946 O GLU A 96 20.638 11.595 0.126 1.00 23.37 O ATOM 947 CB GLU A 96 21.893 8.617 0.487 1.00 24.22 C ATOM 948 CG GLU A 96 22.957 7.794 1.279 1.00 26.71 C ATOM 949 CD GLU A 96 23.507 6.530 0.511 1.00 28.92 C ATOM 950 OE1 GLU A 96 23.078 6.210 -0.615 1.00 28.04 O ATOM 951 OE2 GLU A 96 24.419 5.841 1.020 1.00 31.24 O ATOM 952 H GLU A 96 19.998 7.692 2.013 1.00 0.00 H ATOM 953 N ASP A 97 19.127 9.970 -0.265 1.00 20.69 N ATOM 954 CA ASP A 97 18.498 10.670 -1.378 1.00 21.11 C ATOM 955 C ASP A 97 17.368 11.593 -0.941 1.00 20.12 C ATOM 956 O ASP A 97 16.980 12.486 -1.699 1.00 21.58 O ATOM 957 CB ASP A 97 17.947 9.662 -2.411 1.00 23.76 C ATOM 958 CG ASP A 97 19.029 8.802 -3.058 1.00 27.21 C ATOM 959 OD1 ASP A 97 20.237 9.156 -3.009 1.00 28.81 O ATOM 960 OD2 ASP A 97 18.656 7.766 -3.679 1.00 28.16 O ATOM 961 H ASP A 97 18.712 9.079 0.075 1.00 0.00 H ATOM 962 N ASN A 98 16.832 11.392 0.257 1.00 17.28 N ATOM 963 CA ASN A 98 15.603 12.063 0.656 1.00 16.87 C ATOM 964 C ASN A 98 15.659 12.666 2.031 1.00 17.17 C ATOM 965 O ASN A 98 14.677 13.321 2.412 1.00 16.96 O ATOM 966 CB ASN A 98 14.461 11.052 0.658 1.00 18.11 C ATOM 967 CG ASN A 98 14.174 10.515 -0.670 1.00 20.63 C ATOM 968 OD1 ASN A 98 13.568 11.162 -1.501 1.00 23.23 O ATOM 969 ND2 ASN A 98 14.663 9.305 -0.912 1.00 20.35 N ATOM 970 HD22 ASN A 98 15.175 8.792 -0.166 1.00 0.00 H ATOM 971 HD21 ASN A 98 14.534 8.870 -1.848 1.00 0.00 H ATOM 972 H ASN A 98 17.299 10.743 0.923 1.00 0.00 H ATOM 973 N HIS A 99 16.744 12.532 2.774 1.00 17.51 N ATOM 974 CA HIS A 99 16.742 13.177 4.093 1.00 18.95 C ATOM 975 C HIS A 99 16.573 14.694 3.984 1.00 19.66 C ATOM 976 O HIS A 99 17.034 15.357 3.053 1.00 19.69 O ATOM 977 CB HIS A 99 17.981 12.818 4.915 1.00 20.28 C ATOM 978 CG HIS A 99 19.204 13.552 4.523 1.00 22.04 C ATOM 979 ND1 HIS A 99 19.463 14.840 4.933 1.00 22.80 N ATOM 980 CD2 HIS A 99 20.224 13.212 3.708 1.00 23.94 C ATOM 981 CE1 HIS A 99 20.603 15.248 4.418 1.00 24.64 C ATOM 982 NE2 HIS A 99 21.083 14.283 3.667 1.00 25.39 N ATOM 983 H HIS A 99 17.566 11.991 2.438 1.00 0.00 H ATOM 984 N GLU A 100 15.932 15.254 4.991 1.00 20.20 N ATOM 985 CA GLU A 100 15.710 16.693 5.052 1.00 19.87 C ATOM 986 C GLU A 100 16.902 17.405 5.697 1.00 19.68 C ATOM 987 O GLU A 100 17.843 16.798 6.202 1.00 19.59 O ATOM 988 CB GLU A 100 14.356 16.983 5.694 1.00 21.29 C ATOM 989 CG GLU A 100 13.228 16.312 4.961 1.00 23.10 C ATOM 990 CD GLU A 100 11.881 16.905 5.208 1.00 26.89 C ATOM 991 OE1 GLU A 100 11.793 17.815 6.054 1.00 28.00 O ATOM 992 OE2 GLU A 100 10.892 16.423 4.597 1.00 28.64 O ATOM 993 H GLU A 100 15.576 14.653 5.762 1.00 0.00 H ATOM 994 N GLU A 101 16.850 18.735 5.706 1.00 20.24 N ATOM 995 CA GLU A 101 17.975 19.489 6.232 1.00 21.42 C ATOM 996 C GLU A 101 18.053 19.439 7.761 1.00 19.34 C ATOM 997 O GLU A 101 19.084 19.823 8.309 1.00 20.29 O ATOM 998 CB GLU A 101 17.827 20.948 5.794 1.00 25.73 C ATOM 999 CG GLU A 101 17.931 21.148 4.274 1.00 31.73 C ATOM 1000 CD GLU A 101 18.093 22.610 3.922 1.00 37.98 C ATOM 1001 OE1 GLU A 101 17.113 23.373 4.129 1.00 40.36 O ATOM 1002 OE2 GLU A 101 19.206 22.994 3.475 1.00 40.21 O ATOM 1003 H GLU A 101 16.012 19.230 5.340 1.00 0.00 H ATOM 1004 N ASP A 102 17.049 18.870 8.435 1.00 17.61 N ATOM 1005 CA ASP A 102 17.179 18.539 9.834 1.00 17.34 C ATOM 1006 C ASP A 102 17.758 17.195 10.118 1.00 17.18 C ATOM 1007 O ASP A 102 17.810 16.785 11.276 1.00 17.99 O ATOM 1008 CB ASP A 102 15.847 18.656 10.525 1.00 16.77 C ATOM 1009 CG ASP A 102 14.774 17.780 9.976 1.00 16.93 C ATOM 1010 OD1 ASP A 102 15.111 16.900 9.140 1.00 17.37 O ATOM 1011 OD2 ASP A 102 13.573 17.958 10.317 1.00 17.29 O ATOM 1012 H ASP A 102 16.157 18.662 7.942 1.00 0.00 H ATOM 1013 N TYR A 103 18.282 16.527 9.088 1.00 16.23 N ATOM 1014 CA TYR A 103 18.937 15.212 9.151 1.00 17.22 C ATOM 1015 C TYR A 103 17.975 14.061 9.325 1.00 16.32 C ATOM 1016 O TYR A 103 18.398 12.944 9.594 1.00 16.63 O ATOM 1017 CB TYR A 103 20.028 15.117 10.221 1.00 21.25 C ATOM 1018 CG TYR A 103 21.234 15.985 10.017 1.00 25.24 C ATOM 1019 CD1 TYR A 103 21.167 17.360 10.045 1.00 27.63 C ATOM 1020 CD2 TYR A 103 22.472 15.407 9.787 1.00 26.96 C ATOM 1021 CE1 TYR A 103 22.271 18.158 9.879 1.00 29.89 C ATOM 1022 CE2 TYR A 103 23.608 16.204 9.620 1.00 29.42 C ATOM 1023 CZ TYR A 103 23.491 17.581 9.661 1.00 31.09 C ATOM 1024 OH TYR A 103 24.596 18.371 9.493 1.00 33.30 O ATOM 1025 HH TYR A 103 25.257 18.167 10.201 1.00 0.00 H ATOM 1026 H TYR A 103 18.221 16.979 8.153 1.00 0.00 H ATOM 1027 N PHE A 104 16.681 14.282 9.217 1.00 15.41 N ATOM 1028 CA PHE A 104 15.731 13.184 9.328 1.00 15.40 C ATOM 1029 C PHE A 104 15.209 12.778 7.963 1.00 15.21 C ATOM 1030 O PHE A 104 15.017 13.617 7.091 1.00 15.89 O ATOM 1031 CB PHE A 104 14.539 13.626 10.188 1.00 16.03 C ATOM 1032 CG PHE A 104 14.828 13.644 11.646 1.00 17.67 C ATOM 1033 CD1 PHE A 104 14.727 12.481 12.387 1.00 18.88 C ATOM 1034 CD2 PHE A 104 15.009 14.858 12.293 1.00 18.31 C ATOM 1035 CE1 PHE A 104 14.895 12.506 13.792 1.00 20.10 C ATOM 1036 CE2 PHE A 104 15.293 14.876 13.614 1.00 18.54 C ATOM 1037 CZ PHE A 104 15.206 13.746 14.391 1.00 20.16 C ATOM 1038 H PHE A 104 16.335 15.249 9.051 1.00 0.00 H ATOM 1039 N LEU A 105 15.013 11.464 7.779 1.00 14.25 N ATOM 1040 CA LEU A 105 14.147 10.978 6.720 1.00 14.46 C ATOM 1041 C LEU A 105 12.722 10.901 7.275 1.00 14.59 C ATOM 1042 O LEU A 105 12.519 10.329 8.354 1.00 15.05 O ATOM 1043 CB LEU A 105 14.670 9.600 6.317 1.00 15.09 C ATOM 1044 CG LEU A 105 13.801 8.848 5.299 1.00 15.74 C ATOM 1045 CD1 LEU A 105 13.757 9.509 3.922 1.00 15.65 C ATOM 1046 CD2 LEU A 105 14.279 7.392 5.162 1.00 16.00 C ATOM 1047 H LEU A 105 15.489 10.783 8.405 1.00 0.00 H ATOM 1048 N TYR A 106 11.764 11.372 6.490 1.00 15.27 N ATOM 1049 CA TYR A 106 10.350 11.364 6.869 1.00 14.49 C ATOM 1050 C TYR A 106 9.588 10.333 6.035 1.00 14.65 C ATOM 1051 O TYR A 106 9.616 10.386 4.795 1.00 16.13 O ATOM 1052 CB TYR A 106 9.733 12.755 6.684 1.00 15.12 C ATOM 1053 CG TYR A 106 10.193 13.764 7.738 1.00 15.78 C ATOM 1054 CD1 TYR A 106 11.390 14.449 7.558 1.00 16.24 C ATOM 1055 CD2 TYR A 106 9.470 13.976 8.908 1.00 15.32 C ATOM 1056 CE1 TYR A 106 11.876 15.325 8.500 1.00 15.26 C ATOM 1057 CE2 TYR A 106 9.971 14.840 9.838 1.00 16.01 C ATOM 1058 CZ TYR A 106 11.102 15.535 9.642 1.00 15.60 C ATOM 1059 OH TYR A 106 11.559 16.388 10.619 1.00 16.57 O ATOM 1060 HH TYR A 106 12.398 16.817 10.315 1.00 0.00 H ATOM 1061 H TYR A 106 12.028 11.765 5.564 1.00 0.00 H ATOM 1062 N VAL A 107 8.983 9.371 6.704 1.00 13.86 N ATOM 1063 CA VAL A 107 8.197 8.318 6.062 1.00 13.86 C ATOM 1064 C VAL A 107 6.763 8.422 6.557 1.00 14.19 C ATOM 1065 O VAL A 107 6.536 8.422 7.775 1.00 15.12 O ATOM 1066 CB VAL A 107 8.770 6.932 6.394 1.00 15.34 C ATOM 1067 CG1 VAL A 107 7.863 5.831 5.816 1.00 16.02 C ATOM 1068 CG2 VAL A 107 10.166 6.772 5.793 1.00 16.37 C ATOM 1069 H VAL A 107 9.069 9.361 7.740 1.00 0.00 H ATOM 1070 N ALA A 108 5.815 8.508 5.631 1.00 13.94 N ATOM 1071 CA ALA A 108 4.403 8.486 5.951 1.00 14.70 C ATOM 1072 C ALA A 108 3.811 7.122 5.641 1.00 14.71 C ATOM 1073 O ALA A 108 4.288 6.411 4.745 1.00 16.29 O ATOM 1074 CB ALA A 108 3.624 9.597 5.234 1.00 15.34 C ATOM 1075 H ALA A 108 6.099 8.595 4.634 1.00 0.00 H ATOM 1076 N TYR A 109 2.770 6.740 6.335 1.00 14.51 N ATOM 1077 CA TYR A 109 2.101 5.479 6.022 1.00 15.02 C ATOM 1078 C TYR A 109 0.590 5.633 5.962 1.00 15.13 C ATOM 1079 O TYR A 109 0.010 6.539 6.588 1.00 15.75 O ATOM 1080 CB TYR A 109 2.504 4.354 6.945 1.00 15.98 C ATOM 1081 CG TYR A 109 2.018 4.521 8.390 1.00 15.93 C ATOM 1082 CD1 TYR A 109 2.820 5.135 9.341 1.00 16.97 C ATOM 1083 CD2 TYR A 109 0.783 4.007 8.778 1.00 15.90 C ATOM 1084 CE1 TYR A 109 2.398 5.271 10.642 1.00 17.18 C ATOM 1085 CE2 TYR A 109 0.336 4.130 10.112 1.00 16.14 C ATOM 1086 CZ TYR A 109 1.155 4.770 11.026 1.00 17.15 C ATOM 1087 OH TYR A 109 0.753 4.901 12.346 1.00 19.09 O ATOM 1088 HH TYR A 109 1.453 5.380 12.857 1.00 0.00 H ATOM 1089 H TYR A 109 2.418 7.335 7.112 1.00 0.00 H ATOM 1090 N SER A 110 -0.077 4.774 5.210 1.00 15.30 N ATOM 1091 CA SER A 110 -1.502 4.898 4.968 1.00 15.81 C ATOM 1092 C SER A 110 -2.106 3.541 4.639 1.00 16.46 C ATOM 1093 O SER A 110 -1.407 2.584 4.300 1.00 17.44 O ATOM 1094 CB SER A 110 -1.799 5.852 3.813 1.00 17.12 C ATOM 1095 OG SER A 110 -3.183 6.078 3.655 1.00 18.04 O ATOM 1096 HG SER A 110 -3.330 6.699 2.899 1.00 0.00 H ATOM 1097 H SER A 110 0.438 3.981 4.777 1.00 0.00 H ATOM 1098 N ASP A 111 -3.422 3.465 4.790 1.00 16.29 N ATOM 1099 CA ASP A 111 -4.153 2.318 4.277 1.00 17.13 C ATOM 1100 C ASP A 111 -4.243 2.376 2.753 1.00 17.92 C ATOM 1101 O ASP A 111 -4.368 1.328 2.092 1.00 19.12 O ATOM 1102 CB ASP A 111 -5.545 2.203 4.921 1.00 18.20 C ATOM 1103 CG ASP A 111 -6.400 3.478 4.783 1.00 19.52 C ATOM 1104 OD1 ASP A 111 -5.916 4.648 4.924 1.00 19.46 O ATOM 1105 OD2 ASP A 111 -7.611 3.248 4.520 1.00 20.42 O ATOM 1106 H ASP A 111 -3.932 4.229 5.277 1.00 0.00 H ATOM 1107 N GLU A 112 -4.191 3.578 2.191 1.00 18.38 N ATOM 1108 CA GLU A 112 -4.395 3.807 0.777 1.00 19.98 C ATOM 1109 C GLU A 112 -3.069 3.820 0.054 1.00 19.14 C ATOM 1110 O GLU A 112 -2.013 4.107 0.619 1.00 18.38 O ATOM 1111 CB GLU A 112 -5.136 5.120 0.545 1.00 21.34 C ATOM 1112 CG GLU A 112 -6.624 4.939 0.597 1.00 23.68 C ATOM 1113 CD GLU A 112 -7.152 4.136 -0.580 1.00 26.17 C ATOM 1114 OE1 GLU A 112 -6.361 3.679 -1.454 1.00 27.09 O ATOM 1115 OE2 GLU A 112 -8.363 3.957 -0.619 1.00 27.63 O ATOM 1116 H GLU A 112 -3.993 4.398 2.799 1.00 0.00 H ATOM 1117 N SER A 113 -3.148 3.501 -1.232 1.00 20.10 N ATOM 1118 CA SER A 113 -1.989 3.393 -2.083 1.00 21.66 C ATOM 1119 C SER A 113 -1.566 4.717 -2.685 1.00 21.71 C ATOM 1120 O SER A 113 -0.498 4.787 -3.284 1.00 21.96 O ATOM 1121 CB SER A 113 -2.246 2.371 -3.225 1.00 23.22 C ATOM 1122 OG SER A 113 -3.483 2.617 -3.896 1.00 24.98 O ATOM 1123 HG SER A 113 -3.607 1.946 -4.613 1.00 0.00 H ATOM 1124 H SER A 113 -4.086 3.321 -1.643 1.00 0.00 H ATOM 1125 N VAL A 114 -2.362 5.767 -2.537 1.00 21.44 N ATOM 1126 CA VAL A 114 -1.998 7.098 -3.011 1.00 22.68 C ATOM 1127 C VAL A 114 -1.887 8.017 -1.807 1.00 22.78 C ATOM 1128 O VAL A 114 -2.811 8.085 -0.980 1.00 22.19 O ATOM 1129 CB VAL A 114 -3.029 7.619 -4.021 1.00 23.63 C ATOM 1130 CG1 VAL A 114 -2.852 9.109 -4.282 1.00 23.79 C ATOM 1131 CG2 VAL A 114 -2.923 6.802 -5.314 1.00 24.72 C ATOM 1132 H VAL A 114 -3.280 5.637 -2.066 1.00 0.00 H ATOM 1133 N TYR A 115 -0.783 8.780 -1.721 1.00 23.35 N ATOM 1134 CA TYR A 115 -0.586 9.650 -0.551 1.00 24.84 C ATOM 1135 C TYR A 115 -1.692 10.685 -0.428 1.00 26.16 C ATOM 1136 O TYR A 115 -2.022 11.390 -1.381 1.00 26.13 O ATOM 1137 CB TYR A 115 0.759 10.371 -0.656 1.00 25.24 C ATOM 1138 CG TYR A 115 1.047 11.371 0.426 1.00 26.12 C ATOM 1139 CD1 TYR A 115 1.610 10.977 1.637 1.00 26.16 C ATOM 1140 CD2 TYR A 115 0.784 12.717 0.235 1.00 26.54 C ATOM 1141 CE1 TYR A 115 1.901 11.898 2.632 1.00 25.97 C ATOM 1142 CE2 TYR A 115 1.065 13.632 1.205 1.00 26.71 C ATOM 1143 CZ TYR A 115 1.622 13.231 2.405 1.00 26.17 C ATOM 1144 OH TYR A 115 1.875 14.165 3.364 1.00 26.81 O ATOM 1145 HH TYR A 115 2.270 13.723 4.157 1.00 0.00 H ATOM 1146 H TYR A 115 -0.071 8.755 -2.479 1.00 0.00 H ATOM 1147 N GLY A 116 -2.260 10.780 0.763 1.00 26.62 N ATOM 1148 CA GLY A 116 -3.245 11.815 1.001 1.00 28.27 C ATOM 1149 C GLY A 116 -4.641 11.473 0.540 1.00 29.63 C ATOM 1150 O GLY A 116 -5.533 12.322 0.648 1.00 29.71 O ATOM 1151 H GLY A 116 -2.002 10.117 1.522 1.00 0.00 H ATOM 1152 N LYS A 117 -4.860 10.268 0.023 1.00 30.46 N ATOM 1153 CA LYS A 117 -6.206 9.798 -0.268 1.00 33.34 C ATOM 1154 C LYS A 117 -6.844 9.339 1.059 1.00 34.60 C ATOM 1155 O LYS A 117 -8.001 9.644 1.415 1.00 34.25 O ATOM 1156 CB LYS A 117 -6.132 8.635 -1.255 1.00 35.65 C ATOM 1157 CG LYS A 117 -7.461 8.011 -1.610 1.00 37.84 C ATOM 1158 CD LYS A 117 -8.094 8.721 -2.775 1.00 39.57 C ATOM 1159 CE LYS A 117 -9.334 7.972 -3.252 1.00 40.34 C ATOM 1160 NZ LYS A 117 -9.043 6.520 -3.501 1.00 40.58 N ATOM 1161 OXT LYS A 117 -6.174 8.622 1.812 1.00 35.95 O ATOM 1162 HZ1 LYS A 117 -8.307 6.435 -4.231 1.00 0.00 H ATOM 1163 HZ2 LYS A 117 -8.711 6.078 -2.620 1.00 0.00 H ATOM 1164 HZ3 LYS A 117 -9.910 6.044 -3.824 1.00 0.00 H ATOM 1165 H LYS A 117 -4.051 9.647 -0.178 1.00 0.00 H TER 1166 LYS A 117 HETATM 1167 O HOH 1 12.415 15.725 20.965 1.00 31.70 O HETATM 1168 O HOH 2 10.679 14.542 3.067 1.00 31.41 O HETATM 1169 O HOH 3 7.064 3.588 -6.290 1.00 29.69 O HETATM 1170 O HOH 4 30.119 9.723 16.344 1.00 35.13 O HETATM 1171 O HOH 5 26.692 17.297 10.189 1.00 38.84 O HETATM 1172 O HOH 6 16.891 12.843 20.576 1.00 34.94 O HETATM 1173 O HOH 7 8.600 16.099 5.667 1.00 33.85 O HETATM 1174 O HOH 8 25.406 1.139 5.100 1.00 30.59 O HETATM 1175 O HOH 9 24.490 2.364 16.958 1.00 37.07 O HETATM 1176 O HOH 10 3.013 24.259 15.373 1.00 25.98 O HETATM 1177 O HOH 11 8.827 12.339 3.225 1.00 29.71 O HETATM 1178 O HOH 12 1.106 12.759 10.822 1.00 33.95 O HETATM 1179 O HOH 13 1.506 6.862 14.196 1.00 30.37 O HETATM 1180 O HOH 14 0.762 -5.661 12.219 1.00 27.76 O HETATM 1181 O HOH 15 8.281 -0.300 -2.220 1.00 17.62 O HETATM 1182 O HOH 16 18.469 17.549 2.698 1.00 37.69 O HETATM 1183 O HOH 17 25.205 -2.879 1.441 1.00 19.13 O HETATM 1184 O HOH 18 28.070 10.647 12.653 1.00 31.10 O HETATM 1185 O HOH 19 -7.167 -12.477 9.739 1.00 36.54 O HETATM 1186 O HOH 20 19.586 -5.863 5.399 1.00 18.39 O HETATM 1187 O HOH 21 -3.805 8.647 3.217 1.00 28.78 O HETATM 1188 O HOH 22 -3.244 11.574 9.372 1.00 33.90 O HETATM 1189 O HOH 23 22.063 7.045 -2.977 1.00 43.04 O HETATM 1190 O HOH 24 8.354 23.308 12.142 1.00 39.16 O HETATM 1191 O HOH 25 16.306 6.451 -3.391 1.00 32.91 O HETATM 1192 O HOH 26 -0.679 -7.679 9.950 1.00 33.47 O HETATM 1193 O HOH 27 3.660 -1.534 1.868 1.00 18.89 O HETATM 1194 O HOH 28 1.293 8.771 -3.775 1.00 29.66 O HETATM 1195 O HOH 29 0.950 6.100 -5.179 1.00 28.69 O HETATM 1196 O HOH 30 3.834 7.770 14.446 1.00 27.82 O HETATM 1197 O HOH 31 23.944 -5.951 6.219 1.00 35.57 O HETATM 1198 O HOH 32 -5.312 -0.906 6.689 1.00 19.76 O HETATM 1199 O HOH 33 -9.942 10.137 6.149 1.00 32.03 O HETATM 1200 O HOH 34 21.292 21.370 7.658 1.00 27.30 O HETATM 1201 O HOH 35 10.690 25.761 11.707 1.00 26.77 O HETATM 1202 O HOH 36 12.471 13.012 4.131 1.00 19.57 O HETATM 1203 O HOH 37 13.338 15.204 0.805 1.00 35.46 O HETATM 1204 O HOH 38 7.877 -6.546 3.716 1.00 19.82 O HETATM 1205 O HOH 39 2.793 -7.468 15.712 1.00 35.28 O HETATM 1206 O HOH 40 9.654 6.564 -5.109 1.00 40.47 O HETATM 1207 O HOH 41 1.721 -4.563 4.285 1.00 18.66 O HETATM 1208 O HOH 42 25.560 13.248 20.144 1.00 29.62 O HETATM 1209 O HOH 43 23.897 21.076 8.955 1.00 40.41 O HETATM 1210 O HOH 44 13.115 19.585 7.866 1.00 32.26 O HETATM 1211 O HOH 45 -4.376 4.269 16.968 1.00 33.33 O HETATM 1212 O HOH 46 23.077 -1.642 8.573 1.00 24.76 O HETATM 1213 O HOH 47 21.698 8.249 13.694 1.00 22.48 O HETATM 1214 O HOH 48 9.943 8.095 -2.711 1.00 37.71 O HETATM 1215 O HOH 49 18.139 25.963 3.409 1.00 35.73 O HETATM 1216 O HOH 50 14.519 20.345 5.187 1.00 42.32 O HETATM 1217 O HOH 51 8.631 8.797 19.401 1.00 32.76 O HETATM 1218 O HOH 52 18.913 4.455 22.841 1.00 46.54 O HETATM 1219 O HOH 53 23.247 18.952 17.864 1.00 34.90 O HETATM 1220 O HOH 54 14.031 27.082 13.716 1.00 23.32 O HETATM 1221 O HOH 55 3.731 6.197 -5.483 1.00 25.50 O HETATM 1222 O HOH 56 25.869 14.934 12.960 1.00 41.13 O HETATM 1223 O HOH 57 14.398 7.824 -3.422 1.00 29.69 O HETATM 1224 O HOH 58 -5.267 14.127 8.145 1.00 35.16 O HETATM 1225 O HOH 59 16.927 19.500 19.937 1.00 23.30 O HETATM 1226 O HOH 60 13.108 -4.989 -0.019 1.00 26.59 O HETATM 1227 O HOH 61 24.769 12.581 8.321 1.00 38.32 O HETATM 1228 O HOH 62 0.548 -3.048 0.349 1.00 22.20 O HETATM 1229 O HOH 63 -5.484 10.546 9.626 1.00 35.93 O HETATM 1230 O HOH 64 5.084 -7.295 9.272 1.00 34.66 O HETATM 1231 O HOH 65 4.523 0.749 0.495 1.00 15.67 O HETATM 1232 O HOH 66 -0.270 -4.245 2.623 1.00 18.45 O HETATM 1233 O HOH 67 5.777 11.168 2.169 1.00 28.07 O HETATM 1234 O HOH 68 1.106 9.339 13.217 1.00 29.66 O HETATM 1235 O HOH 69 23.229 0.537 2.870 1.00 30.49 O HETATM 1236 O HOH 70 -6.150 0.238 8.897 1.00 32.09 O HETATM 1237 O HOH 71 16.351 1.315 -6.086 1.00 34.36 O HETATM 1238 O HOH 72 -7.481 -3.219 3.681 1.00 19.27 O HETATM 1239 O HOH 73 1.365 11.697 14.181 1.00 35.05 O HETATM 1240 O HOH 74 -10.231 -12.520 10.041 1.00 32.29 O HETATM 1241 O HOH 75 26.771 12.518 9.173 1.00 43.73 O HETATM 1242 O HOH 76 -3.747 -1.745 16.655 1.00 44.00 O HETATM 1243 O HOH 77 11.212 -6.244 16.124 1.00 35.48 O HETATM 1244 O HOH 78 1.596 -9.223 8.163 1.00 35.98 O HETATM 1245 O HOH 79 -9.204 0.985 9.103 1.00 36.60 O HETATM 1246 O HOH 80 16.358 17.285 21.339 1.00 40.48 O HETATM 1247 O HOH 81 1.414 -7.442 4.189 1.00 29.71 O HETATM 1248 O HOH 82 24.083 -1.315 17.996 1.00 39.76 O HETATM 1249 O HOH 83 21.139 -5.751 7.520 1.00 28.69 O HETATM 1250 O HOH 84 25.690 17.394 17.946 1.00 37.61 O HETATM 1251 O HOH 85 25.739 -1.762 7.878 1.00 29.53 O HETATM 1252 O HOH 86 23.086 17.178 6.015 1.00 38.15 O HETATM 1253 O HOH 87 4.124 -3.222 4.054 1.00 18.50 O HETATM 1254 O HOH 88 20.643 18.487 3.555 1.00 40.65 O HETATM 1255 O HOH 89 -0.861 4.422 -7.340 1.00 36.63 O HETATM 1256 O HOH 90 -7.922 -1.187 5.541 1.00 23.93 O HETATM 1257 O HOH 91 30.175 11.370 14.118 1.00 33.14 O HETATM 1258 O HOH 92 4.904 4.381 -7.299 1.00 35.39 O HETATM 1259 O HOH 93 20.350 23.789 7.705 1.00 29.24 O HETATM 1260 O HOH 94 27.846 13.216 12.006 1.00 34.87 O HETATM 1261 O HOH 95 8.447 26.203 13.095 1.00 36.16 O HETATM 1262 O HOH 96 6.343 25.859 12.110 1.00 36.79 O HETATM 1263 O HOH 97 5.233 -7.952 6.098 1.00 31.85 O HETATM 1264 O HOH 98 17.304 21.602 21.647 1.00 36.60 O HETATM 1265 O HOH 99 16.701 23.972 21.269 1.00 36.43 O HETATM 1266 O HOH 100 24.493 20.958 4.910 1.00 35.94 O HETATM 1267 O HOH 101 11.693 -8.590 -2.191 1.00 35.50 O HETATM 1268 O HOH 102 22.161 -4.007 9.204 1.00 36.52 O HETATM 1269 O HOH 103 17.418 -10.093 13.817 1.00 38.67 O HETATM 1270 O HOH 104 18.219 -15.901 10.016 1.00 29.10 O HETATM 1271 O HOH 105 12.584 2.293 23.015 1.00 42.34 O HETATM 1272 O HOH 106 14.510 0.774 21.040 1.00 39.83 O HETATM 1273 O HOH 107 24.412 -5.547 9.433 1.00 35.63 O HETATM 1274 N ASP A 108 10.946 6.868 23.878 1.00 0.24 N HETATM 1275 CA ASP A 108 11.320 7.943 22.963 1.00 0.08 C HETATM 1276 C ASP A 108 11.704 7.428 21.543 1.00 0.23 C HETATM 1277 O ASP A 108 10.873 7.421 20.629 1.00 -0.39 O HETATM 1278 N ASP A 108 12.957 7.022 21.383 1.00 -0.26 N HETATM 1279 CA ASP A 108 13.442 6.444 20.144 1.00 0.14 C HETATM 1280 C ASP A 108 13.196 4.936 20.132 1.00 0.21 C HETATM 1281 O ASP A 108 13.034 4.270 21.162 1.00 -0.39 O HETATM 1282 N ASP A 108 13.160 4.390 18.935 1.00 -0.26 N HETATM 1283 CA ASP A 108 13.073 2.945 18.779 1.00 0.13 C HETATM 1284 C ASP A 108 14.236 2.519 17.894 1.00 0.20 C HETATM 1285 O ASP A 108 14.315 2.950 16.741 1.00 -0.39 O HETATM 1286 N ASP A 108 15.113 1.656 18.414 1.00 -0.26 N HETATM 1287 CA ASP A 108 16.229 1.105 17.657 1.00 0.15 C HETATM 1288 C ASP A 108 15.758 -0.169 16.967 1.00 0.21 C HETATM 1289 O ASP A 108 15.384 -1.136 17.635 1.00 -0.39 O HETATM 1290 N ASP A 108 15.772 -0.170 15.615 1.00 -0.26 N HETATM 1291 CA ASP A 108 15.321 -1.345 14.853 1.00 0.13 C HETATM 1292 C ASP A 108 16.448 -2.361 14.693 1.00 0.21 C HETATM 1293 O ASP A 108 17.614 -1.976 14.562 1.00 -0.39 O HETATM 1294 N ASP A 108 16.101 -3.642 14.771 1.00 -0.25 N HETATM 1295 CA ASP A 108 17.087 -4.716 14.576 1.00 0.13 C HETATM 1296 C ASP A 108 17.542 -4.840 13.128 1.00 0.20 C HETATM 1297 O ASP A 108 16.915 -4.339 12.191 1.00 -0.39 O HETATM 1298 N ASP A 108 18.659 -5.552 12.975 1.00 -0.26 N HETATM 1299 CA ASP A 108 19.050 -5.973 11.632 1.00 0.15 C HETATM 1300 C ASP A 108 18.778 -7.467 11.426 1.00 0.21 C HETATM 1301 O ASP A 108 18.762 -8.240 12.394 1.00 -0.39 O HETATM 1302 N ASP A 108 18.540 -7.909 10.186 1.00 -0.25 N HETATM 1303 CA ASP A 108 18.323 -9.335 9.942 1.00 0.13 C HETATM 1304 C ASP A 108 19.642 -10.076 10.011 1.00 0.20 C HETATM 1305 O ASP A 108 20.713 -9.472 10.014 1.00 -0.39 O HETATM 1306 N ASP A 108 19.561 -11.403 10.037 1.00 -0.26 N HETATM 1307 CA ASP A 108 20.729 -12.253 10.228 1.00 0.13 C HETATM 1308 C ASP A 108 20.705 -13.432 9.254 1.00 0.20 C HETATM 1309 O ASP A 108 19.635 -13.900 8.844 1.00 -0.39 O HETATM 1310 N ASP A 108 21.903 -13.933 8.915 1.00 -0.27 N HETATM 1311 CA ASP A 108 22.060 -15.146 8.081 1.00 0.10 C HETATM 1312 C ASP A 108 21.918 -16.385 8.970 1.00 0.06 C HETATM 1313 O ASP A 108 22.105 -16.297 10.186 1.00 -0.57 O HETATM 1314 OXT ASP A 108 21.643 -17.508 8.497 1.00 -0.57 O HETATM 1315 CB ASP A 108 23.432 -15.197 7.394 1.00 0.02 C HETATM 1316 CG ASP A 108 23.530 -14.308 6.213 1.00 -0.04 C HETATM 1317 CD1 ASP A 108 22.891 -14.632 5.030 1.00 -0.06 C HETATM 1318 CE1 ASP A 108 22.957 -13.788 3.951 1.00 -0.07 C HETATM 1319 CZ ASP A 108 23.692 -12.616 4.026 1.00 -0.07 C HETATM 1320 CE2 ASP A 108 24.344 -12.287 5.184 1.00 -0.07 C HETATM 1321 CD2 ASP A 108 24.234 -13.131 6.292 1.00 -0.06 C HETATM 1322 H77 ASP A 108 24.710 -12.854 7.226 1.00 0.06 H HETATM 1323 H79 ASP A 108 24.939 -11.382 5.241 1.00 0.06 H HETATM 1324 H80 ASP A 108 23.751 -11.958 3.166 1.00 0.06 H HETATM 1325 H78 ASP A 108 22.432 -14.039 3.036 1.00 0.06 H HETATM 1326 H76 ASP A 108 22.334 -15.559 4.955 1.00 0.06 H HETATM 1327 H74 ASP A 108 23.622 -16.231 7.069 1.00 0.05 H HETATM 1328 H75 ASP A 108 24.199 -14.895 8.123 1.00 0.05 H HETATM 1329 H73 ASP A 108 21.274 -15.153 7.311 1.00 0.07 H HETATM 1330 H72 ASP A 108 22.726 -13.466 9.240 1.00 0.19 H HETATM 1331 CB ASP A 108 20.755 -12.825 11.657 1.00 -0.01 C HETATM 1332 CG ASP A 108 20.961 -11.785 12.757 1.00 -0.02 C HETATM 1333 CD ASP A 108 22.440 -11.488 12.897 1.00 0.06 C HETATM 1334 NE ASP A 108 22.713 -10.517 13.953 1.00 -0.27 N HETATM 1335 CZ ASP A 108 22.735 -9.204 13.776 1.00 0.29 C HETATM 1336 NH1 ASP A 108 23.000 -8.408 14.805 1.00 -0.28 N HETATM 1337 H68 ASP A 108 23.019 -7.386 14.674 1.00 0.26 H HETATM 1338 H69 ASP A 108 23.187 -8.812 15.734 1.00 0.26 H HETATM 1339 NH2 ASP A 108 22.495 -8.690 12.578 1.00 -0.28 N HETATM 1340 H70 ASP A 108 22.290 -9.312 11.783 1.00 0.26 H HETATM 1341 H71 ASP A 108 22.514 -7.669 12.443 1.00 0.26 H HETATM 1342 H67 ASP A 108 22.901 -10.877 14.899 1.00 0.26 H HETATM 1343 H65 ASP A 108 22.812 -11.087 11.943 1.00 0.07 H HETATM 1344 H66 ASP A 108 22.968 -12.424 13.132 1.00 0.07 H HETATM 1345 H63 ASP A 108 20.573 -12.176 13.709 1.00 0.03 H HETATM 1346 H64 ASP A 108 20.424 -10.861 12.494 1.00 0.03 H HETATM 1347 H61 ASP A 108 21.575 -13.556 11.719 1.00 0.03 H HETATM 1348 H62 ASP A 108 19.797 -13.332 11.841 1.00 0.03 H HETATM 1349 H60 ASP A 108 21.636 -11.655 10.056 1.00 0.08 H HETATM 1350 H59 ASP A 108 18.666 -11.833 9.921 1.00 0.19 H HETATM 1351 CB ASP A 108 17.758 -9.361 8.522 1.00 -0.01 C HETATM 1352 CG ASP A 108 18.415 -8.191 7.846 1.00 -0.03 C HETATM 1353 CD ASP A 108 18.441 -7.109 8.949 1.00 0.04 C HETATM 1354 H57 ASP A 108 19.312 -6.447 8.834 1.00 0.05 H HETATM 1355 H58 ASP A 108 17.519 -6.509 8.938 1.00 0.05 H HETATM 1356 H55 ASP A 108 17.826 -7.856 6.979 1.00 0.03 H HETATM 1357 H56 ASP A 108 19.434 -8.446 7.521 1.00 0.03 H HETATM 1358 H53 ASP A 108 16.665 -9.242 8.534 1.00 0.03 H HETATM 1359 H54 ASP A 108 18.018 -10.302 8.015 1.00 0.03 H HETATM 1360 H52 ASP A 108 17.612 -9.764 10.663 1.00 0.08 H HETATM 1361 CB ASP A 108 20.554 -5.769 11.420 1.00 0.08 C HETATM 1362 OG ASP A 108 20.860 -4.401 11.440 1.00 -0.39 O HETATM 1363 H51 ASP A 108 21.794 -4.285 11.308 1.00 0.21 H HETATM 1364 H49 ASP A 108 20.846 -6.193 10.448 1.00 0.06 H HETATM 1365 H50 ASP A 108 21.107 -6.278 12.223 1.00 0.06 H HETATM 1366 H48 ASP A 108 18.485 -5.386 10.893 1.00 0.08 H HETATM 1367 H47 ASP A 108 19.220 -5.794 13.767 1.00 0.19 H HETATM 1368 CB ASP A 108 16.300 -5.980 14.940 1.00 -0.01 C HETATM 1369 CG ASP A 108 14.884 -5.638 14.562 1.00 -0.03 C HETATM 1370 CD ASP A 108 14.728 -4.155 14.899 1.00 0.04 C HETATM 1371 H45 ASP A 108 14.052 -3.657 14.189 1.00 0.05 H HETATM 1372 H46 ASP A 108 14.349 -4.020 15.923 1.00 0.05 H HETATM 1373 H43 ASP A 108 14.172 -6.243 15.143 1.00 0.03 H HETATM 1374 H44 ASP A 108 14.719 -5.809 13.488 1.00 0.03 H HETATM 1375 H41 ASP A 108 16.378 -6.195 16.016 1.00 0.03 H HETATM 1376 H42 ASP A 108 16.661 -6.846 14.366 1.00 0.03 H HETATM 1377 H40 ASP A 108 17.958 -4.573 15.232 1.00 0.08 H HETATM 1378 CB ASP A 108 14.872 -0.910 13.486 1.00 -0.01 C HETATM 1379 CG ASP A 108 13.597 -0.062 13.564 1.00 -0.04 C HETATM 1380 CD1 ASP A 108 13.097 0.182 12.140 1.00 -0.06 C HETATM 1381 H34 ASP A 108 12.181 0.790 12.172 1.00 0.02 H HETATM 1382 H35 ASP A 108 12.880 -0.782 11.657 1.00 0.02 H HETATM 1383 H36 ASP A 108 13.870 0.714 11.566 1.00 0.02 H HETATM 1384 CD2 ASP A 108 12.542 -0.793 14.354 1.00 -0.06 C HETATM 1385 H37 ASP A 108 12.905 -0.967 15.378 1.00 0.02 H HETATM 1386 H38 ASP A 108 12.327 -1.758 13.873 1.00 0.02 H HETATM 1387 H39 ASP A 108 11.624 -0.188 14.388 1.00 0.02 H HETATM 1388 H33 ASP A 108 13.819 0.899 14.051 1.00 0.03 H HETATM 1389 H31 ASP A 108 14.673 -1.802 12.873 1.00 0.03 H HETATM 1390 H32 ASP A 108 15.670 -0.315 13.019 1.00 0.03 H HETATM 1391 H30 ASP A 108 14.481 -1.817 15.384 1.00 0.08 H HETATM 1392 H29 ASP A 108 16.094 0.640 15.125 1.00 0.19 H HETATM 1393 CB ASP A 108 17.351 0.757 18.633 1.00 0.08 C HETATM 1394 CG ASP A 108 18.601 0.365 17.934 1.00 0.18 C HETATM 1395 OD1 ASP A 108 18.959 0.991 16.943 1.00 -0.40 O HETATM 1396 ND2 ASP A 108 19.278 -0.670 18.422 1.00 -0.30 N HETATM 1397 H27 ASP A 108 20.125 -0.966 17.981 1.00 0.18 H HETATM 1398 H28 ASP A 108 18.940 -1.152 19.230 1.00 0.18 H HETATM 1399 H25 ASP A 108 17.022 -0.080 19.267 1.00 0.06 H HETATM 1400 H26 ASP A 108 17.558 1.635 19.263 1.00 0.06 H HETATM 1401 H24 ASP A 108 16.584 1.833 16.913 1.00 0.08 H HETATM 1402 H23 ASP A 108 14.998 1.375 19.367 1.00 0.19 H HETATM 1403 CB ASP A 108 11.747 2.562 18.121 1.00 -0.00 C HETATM 1404 CG ASP A 108 11.565 1.069 17.825 1.00 0.00 C HETATM 1405 CD ASP A 108 11.468 0.197 19.080 1.00 0.04 C HETATM 1406 OE1 ASP A 108 11.125 0.726 20.175 1.00 -0.57 O HETATM 1407 OE2 ASP A 108 11.714 -1.030 18.952 1.00 -0.57 O HETATM 1408 H21 ASP A 108 12.425 0.726 17.230 1.00 0.04 H HETATM 1409 H22 ASP A 108 10.641 0.941 17.242 1.00 0.04 H HETATM 1410 H19 ASP A 108 11.671 3.108 17.169 1.00 0.03 H HETATM 1411 H20 ASP A 108 10.933 2.877 18.791 1.00 0.03 H HETATM 1412 H18 ASP A 108 13.148 2.456 19.761 1.00 0.08 H HETATM 1413 H17 ASP A 108 13.193 4.974 18.124 1.00 0.19 H HETATM 1414 CB ASP A 108 14.940 6.693 19.975 1.00 0.00 C HETATM 1415 CG ASP A 108 15.253 8.083 19.593 1.00 -0.04 C HETATM 1416 CD1 ASP A 108 15.458 9.132 20.443 1.00 0.02 C HETATM 1417 NE1 ASP A 108 15.707 10.266 19.724 1.00 -0.29 N HETATM 1418 CE2 ASP A 108 15.673 9.968 18.391 1.00 0.06 C HETATM 1419 CD2 ASP A 108 15.396 8.602 18.273 1.00 -0.02 C HETATM 1420 CE3 ASP A 108 15.286 8.042 16.998 1.00 -0.07 C HETATM 1421 CZ3 ASP A 108 15.451 8.851 15.919 1.00 -0.08 C HETATM 1422 CH2 ASP A 108 15.740 10.208 16.072 1.00 -0.08 C HETATM 1423 CZ2 ASP A 108 15.856 10.779 17.298 1.00 -0.04 C HETATM 1424 H14 ASP A 108 16.084 11.833 17.410 1.00 0.05 H HETATM 1425 H16 ASP A 108 15.875 10.822 15.189 1.00 0.05 H HETATM 1426 H15 ASP A 108 15.357 8.435 14.922 1.00 0.05 H HETATM 1427 H13 ASP A 108 15.074 6.986 16.872 1.00 0.05 H HETATM 1428 H12 ASP A 108 15.891 11.198 20.123 1.00 0.22 H HETATM 1429 H11 ASP A 108 15.428 9.073 21.530 1.00 0.08 H HETATM 1430 H9 ASP A 108 15.321 6.020 19.193 1.00 0.04 H HETATM 1431 H10 ASP A 108 15.442 6.470 20.928 1.00 0.04 H HETATM 1432 H8 ASP A 108 12.903 6.906 19.303 1.00 0.08 H HETATM 1433 H7 ASP A 108 13.594 7.118 22.148 1.00 0.19 H HETATM 1434 CB ASP A 108 12.429 8.818 23.580 1.00 0.06 C HETATM 1435 CG ASP A 108 13.756 8.064 23.794 1.00 0.04 C HETATM 1436 OD1 ASP A 108 13.769 6.812 24.020 1.00 -0.57 O HETATM 1437 OD2 ASP A 108 14.811 8.742 23.709 1.00 -0.57 O HETATM 1438 H5 ASP A 108 12.078 9.190 24.554 1.00 0.05 H HETATM 1439 H6 ASP A 108 12.616 9.669 22.908 1.00 0.05 H HETATM 1440 H4 ASP A 108 10.433 8.582 22.838 1.00 0.11 H HETATM 1441 H1 ASP A 108 10.709 7.259 24.776 1.00 0.20 H HETATM 1442 H2 ASP A 108 11.720 6.231 23.982 1.00 0.20 H HETATM 1443 H3 ASP A 108 10.151 6.372 23.507 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1274 1275 1441 1442 1443 CONECT 1275 1274 1276 1434 1440 CONECT 1276 1275 1277 1278 CONECT 1277 1276 CONECT 1278 1276 1279 1433 CONECT 1279 1278 1280 1414 1432 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 1283 1413 CONECT 1283 1282 1284 1403 1412 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 1287 1402 CONECT 1287 1286 1288 1393 1401 CONECT 1288 1287 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1392 CONECT 1291 1290 1292 1378 1391 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1370 CONECT 1295 1294 1296 1368 1377 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1367 CONECT 1299 1298 1300 1361 1366 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 1303 1353 CONECT 1303 1302 1304 1351 1360 CONECT 1304 1303 1305 1306 CONECT 1305 1304 CONECT 1306 1304 1307 1350 CONECT 1307 1306 1308 1331 1349 CONECT 1308 1307 1309 1310 CONECT 1309 1308 CONECT 1310 1308 1311 1330 CONECT 1311 1310 1312 1315 1329 CONECT 1312 1311 1313 1314 CONECT 1313 1312 CONECT 1314 1312 CONECT 1315 1311 1316 1327 1328 CONECT 1316 1315 1317 1321 CONECT 1317 1316 1318 1326 CONECT 1318 1317 1319 1325 CONECT 1319 1318 1320 1324 CONECT 1320 1319 1321 1323 CONECT 1321 1316 1320 1322 CONECT 1322 1321 CONECT 1323 1320 CONECT 1324 1319 CONECT 1325 1318 CONECT 1326 1317 CONECT 1327 1315 CONECT 1328 1315 CONECT 1329 1311 CONECT 1330 1310 CONECT 1331 1307 1332 1347 1348 CONECT 1332 1331 1333 1345 1346 CONECT 1333 1332 1334 1343 1344 CONECT 1334 1333 1335 1342 CONECT 1335 1334 1336 1339 CONECT 1336 1335 1337 1338 CONECT 1337 1336 CONECT 1338 1336 CONECT 1339 1335 1340 1341 CONECT 1340 1339 CONECT 1341 1339 CONECT 1342 1334 CONECT 1343 1333 CONECT 1344 1333 CONECT 1345 1332 CONECT 1346 1332 CONECT 1347 1331 CONECT 1348 1331 CONECT 1349 1307 CONECT 1350 1306 CONECT 1351 1303 1352 1358 1359 CONECT 1352 1351 1353 1356 1357 CONECT 1353 1302 1352 1354 1355 CONECT 1354 1353 CONECT 1355 1353 CONECT 1356 1352 CONECT 1357 1352 CONECT 1358 1351 CONECT 1359 1351 CONECT 1360 1303 CONECT 1361 1299 1362 1364 1365 CONECT 1362 1361 1363 CONECT 1363 1362 CONECT 1364 1361 CONECT 1365 1361 CONECT 1366 1299 CONECT 1367 1298 CONECT 1368 1295 1369 1375 1376 CONECT 1369 1368 1370 1373 1374 CONECT 1370 1294 1369 1371 1372 CONECT 1371 1370 CONECT 1372 1370 CONECT 1373 1369 CONECT 1374 1369 CONECT 1375 1368 CONECT 1376 1368 CONECT 1377 1295 CONECT 1378 1291 1379 1389 1390 CONECT 1379 1378 1380 1384 1388 CONECT 1380 1379 1381 1382 1383 CONECT 1381 1380 CONECT 1382 1380 CONECT 1383 1380 CONECT 1384 1379 1385 1386 1387 CONECT 1385 1384 CONECT 1386 1384 CONECT 1387 1384 CONECT 1388 1379 CONECT 1389 1378 CONECT 1390 1378 CONECT 1391 1291 CONECT 1392 1290 CONECT 1393 1287 1394 1399 1400 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1398 CONECT 1397 1396 CONECT 1398 1396 CONECT 1399 1393 CONECT 1400 1393 CONECT 1401 1287 CONECT 1402 1286 CONECT 1403 1283 1404 1410 1411 CONECT 1404 1403 1405 1408 1409 CONECT 1405 1404 1406 1407 CONECT 1406 1405 CONECT 1407 1405 CONECT 1408 1404 CONECT 1409 1404 CONECT 1410 1403 CONECT 1411 1403 CONECT 1412 1283 CONECT 1413 1282 CONECT 1414 1279 1415 1430 1431 CONECT 1415 1414 1416 1419 CONECT 1416 1415 1417 1429 CONECT 1417 1416 1418 1428 CONECT 1418 1417 1419 1423 CONECT 1419 1415 1418 1420 CONECT 1420 1419 1421 1427 CONECT 1421 1420 1422 1426 CONECT 1422 1421 1423 1425 CONECT 1423 1418 1422 1424 CONECT 1424 1423 CONECT 1425 1422 CONECT 1426 1421 CONECT 1427 1420 CONECT 1428 1417 CONECT 1429 1416 CONECT 1430 1414 CONECT 1431 1414 CONECT 1432 1279 CONECT 1433 1278 CONECT 1434 1275 1435 1438 1439 CONECT 1435 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1434 CONECT 1439 1434 CONECT 1440 1275 CONECT 1441 1274 CONECT 1442 1274 CONECT 1443 1274 MASTER 0 0 0 0 0 0 0 0 1442 1 174 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 6hol
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
6hol
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GABARAPL1
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=1.9uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Autophagy Vol. 15: pp. 1333-1355
Ligand Properties
Formula
C
5
8
H
8
3
N
1
5
O
1
7
Molecular Weight
1262.370
Exact Mass
1261.610
No. of atoms
173
No. of bonds
177
Polar Surface Area
528.98
LOGP Value
0.68 (
Computed with XLOGP3
)
-1.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 5
Canonical SMILES
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)CCC[NH+]=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])Cc1c[nH]c2c1cccc2)CCC(=O)O)CC(=O)N)CC(C)C
InChI String
InChI=1S/C58H81N15O17/c1-30(2)23-40(69-52(84)39(27-45(60)75)68-50(82)37(18-19-46(76)77)65-51(83)38(67-48(80)34(59)26-47(78)79)25-32-28-64-35-14-7-6-13-33(32)35)55(87)72-21-9-17-44(72)54(86)71-42(29-74)56(88)73-22-10-16-43(73)53(85)66-36(15-8-20-63-58(61)62)49(81)70-41(57(89)90)24-31-11-4-3-5-12-31/h3-7,11-14,28,30,34,36-44,64,74H,8-10,15-27,29,59H2,1-2H3,(H2,60,75)(H,65,83)(H,66,85)(H,67,80)(H,68,82)(H,69,84)(H,70,81)(H,71,86)(H,76,77)(H,78,79)(H,89,90)(H4,61,62,63)/p+2/t34-,36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6ZNE5
Q9H0R8
Entrez Gene ID
NCBI Entrez Gene ID:
22863
23710
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com