Browse entries in the PDBbind-CN Database
HEADER 5F25_COMPLEX COMPND 5F25_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 113 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 113 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 113 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 113 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 113 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 113 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 113 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS GLU ARG SEQRES 9 A 113 LEU LEU ALA LEU LYS ARG SER MET SER HET UNN A 261 32 ATOM 1 N SER A 22 6.728 25.286 16.110 1.00 56.94 N ATOM 2 CA SER A 22 7.890 24.691 15.453 1.00 53.84 C ATOM 3 C SER A 22 9.085 25.651 15.430 1.00 56.29 C ATOM 4 O SER A 22 8.900 26.868 15.481 1.00 57.99 O ATOM 5 CB SER A 22 7.535 24.253 14.036 1.00 55.94 C ATOM 6 OG SER A 22 8.569 23.469 13.466 1.00 62.08 O ATOM 7 HG SER A 22 8.310 23.200 12.549 1.00 0.00 H ATOM 8 HN3 SER A 22 6.446 26.147 15.600 1.00 0.00 H ATOM 9 HN2 SER A 22 6.972 25.528 17.092 1.00 0.00 H ATOM 10 HN1 SER A 22 5.942 24.605 16.105 1.00 0.00 H ATOM 11 N THR A 23 10.306 25.094 15.363 1.00 49.82 N ATOM 12 CA THR A 23 11.563 25.852 15.323 1.00 48.17 C ATOM 13 C THR A 23 12.118 25.877 13.878 1.00 48.66 C ATOM 14 O THR A 23 11.723 25.013 13.087 1.00 46.28 O ATOM 15 CB THR A 23 12.592 25.243 16.304 1.00 54.34 C ATOM 16 OG1 THR A 23 12.943 23.928 15.874 1.00 50.46 O ATOM 17 CG2 THR A 23 12.109 25.232 17.751 1.00 55.19 C ATOM 18 HG1 THR A 23 12.132 23.361 15.854 1.00 0.00 H ATOM 19 H THR A 23 10.365 24.056 15.338 1.00 0.00 H ATOM 20 N PRO A 24 13.044 26.807 13.508 1.00 44.72 N ATOM 21 CA PRO A 24 13.588 26.796 12.134 1.00 42.61 C ATOM 22 C PRO A 24 14.266 25.479 11.739 1.00 43.72 C ATOM 23 O PRO A 24 14.117 25.050 10.594 1.00 40.93 O ATOM 24 CB PRO A 24 14.577 27.966 12.137 1.00 44.89 C ATOM 25 CG PRO A 24 14.124 28.849 13.236 1.00 51.63 C ATOM 26 CD PRO A 24 13.627 27.915 14.292 1.00 48.02 C ATOM 27 N ILE A 25 14.978 24.826 12.686 1.00 40.98 N ATOM 28 CA ILE A 25 15.642 23.535 12.452 1.00 39.63 C ATOM 29 C ILE A 25 14.622 22.422 12.163 1.00 41.75 C ATOM 30 O ILE A 25 14.808 21.673 11.206 1.00 39.68 O ATOM 31 CB ILE A 25 16.718 23.163 13.530 1.00 43.71 C ATOM 32 CG1 ILE A 25 17.457 21.835 13.211 1.00 42.91 C ATOM 33 CG2 ILE A 25 16.153 23.149 14.955 1.00 47.22 C ATOM 34 CD1 ILE A 25 18.414 21.860 12.020 1.00 49.98 C ATOM 35 H ILE A 25 15.060 25.259 13.628 1.00 0.00 H ATOM 36 N GLN A 26 13.520 22.369 12.946 1.00 39.03 N ATOM 37 CA GLN A 26 12.442 21.387 12.777 1.00 38.08 C ATOM 38 C GLN A 26 11.792 21.513 11.396 1.00 40.21 C ATOM 39 O GLN A 26 11.572 20.495 10.740 1.00 38.77 O ATOM 40 CB GLN A 26 11.396 21.512 13.899 1.00 41.35 C ATOM 41 CG GLN A 26 11.848 20.884 15.218 1.00 50.82 C ATOM 42 CD GLN A 26 10.926 21.191 16.377 1.00 65.99 C ATOM 43 OE1 GLN A 26 10.574 22.346 16.648 1.00 60.49 O ATOM 44 NE2 GLN A 26 10.558 20.162 17.125 1.00 56.86 N ATOM 45 HE22 GLN A 26 10.867 19.201 16.876 1.00 0.00 H ATOM 46 HE21 GLN A 26 9.960 20.315 17.962 1.00 0.00 H ATOM 47 H GLN A 26 13.431 23.065 13.713 1.00 0.00 H ATOM 48 N GLN A 27 11.545 22.761 10.937 1.00 37.36 N ATOM 49 CA GLN A 27 10.973 23.043 9.615 1.00 36.83 C ATOM 50 C GLN A 27 11.909 22.592 8.487 1.00 39.58 C ATOM 51 O GLN A 27 11.440 22.009 7.505 1.00 38.64 O ATOM 52 CB GLN A 27 10.617 24.532 9.467 1.00 39.19 C ATOM 53 CG GLN A 27 9.368 24.956 10.250 1.00 49.34 C ATOM 54 CD GLN A 27 8.124 24.175 9.882 1.00 67.70 C ATOM 55 OE1 GLN A 27 7.566 23.439 10.699 1.00 63.08 O ATOM 56 NE2 GLN A 27 7.678 24.292 8.639 1.00 61.13 N ATOM 57 HE22 GLN A 27 8.166 24.919 7.968 1.00 0.00 H ATOM 58 HE21 GLN A 27 6.840 23.756 8.335 1.00 0.00 H ATOM 59 H GLN A 27 11.773 23.566 11.555 1.00 0.00 H ATOM 60 N LEU A 28 13.231 22.829 8.648 1.00 35.50 N ATOM 61 CA LEU A 28 14.247 22.429 7.672 1.00 34.22 C ATOM 62 C LEU A 28 14.346 20.909 7.581 1.00 35.94 C ATOM 63 O LEU A 28 14.359 20.366 6.478 1.00 34.34 O ATOM 64 CB LEU A 28 15.621 23.050 7.998 1.00 34.57 C ATOM 65 CG LEU A 28 15.771 24.562 7.747 1.00 41.27 C ATOM 66 CD1 LEU A 28 16.951 25.123 8.518 1.00 42.37 C ATOM 67 CD2 LEU A 28 15.919 24.881 6.256 1.00 43.65 C ATOM 68 H LEU A 28 13.542 23.321 9.510 1.00 0.00 H ATOM 69 N LEU A 29 14.358 20.224 8.736 1.00 32.99 N ATOM 70 CA LEU A 29 14.426 18.763 8.783 1.00 31.87 C ATOM 71 C LEU A 29 13.149 18.092 8.279 1.00 35.79 C ATOM 72 O LEU A 29 13.244 17.060 7.617 1.00 34.77 O ATOM 73 CB LEU A 29 14.856 18.243 10.163 1.00 32.28 C ATOM 74 CG LEU A 29 16.228 18.723 10.671 1.00 36.41 C ATOM 75 CD1 LEU A 29 16.476 18.256 12.076 1.00 37.23 C ATOM 76 CD2 LEU A 29 17.369 18.276 9.760 1.00 36.45 C ATOM 77 H LEU A 29 14.317 20.752 9.631 1.00 0.00 H ATOM 78 N GLU A 30 11.969 18.704 8.529 1.00 33.42 N ATOM 79 CA GLU A 30 10.689 18.190 8.029 1.00 33.77 C ATOM 80 C GLU A 30 10.638 18.287 6.503 1.00 37.55 C ATOM 81 O GLU A 30 10.137 17.367 5.858 1.00 37.07 O ATOM 82 CB GLU A 30 9.492 18.906 8.677 1.00 37.01 C ATOM 83 CG GLU A 30 8.971 18.171 9.902 1.00 46.94 C ATOM 84 CD GLU A 30 7.950 18.901 10.753 1.00 66.24 C ATOM 85 OE1 GLU A 30 7.052 19.564 10.186 1.00 56.88 O ATOM 86 OE2 GLU A 30 8.023 18.770 11.996 1.00 60.83 O ATOM 87 H GLU A 30 11.969 19.574 9.099 1.00 0.00 H ATOM 88 N HIS A 31 11.208 19.376 5.929 1.00 34.73 N ATOM 89 CA HIS A 31 11.312 19.586 4.480 1.00 34.53 C ATOM 90 C HIS A 31 12.154 18.455 3.873 1.00 35.75 C ATOM 91 O HIS A 31 11.707 17.805 2.926 1.00 35.13 O ATOM 92 CB HIS A 31 11.929 20.965 4.161 1.00 35.76 C ATOM 93 CG HIS A 31 12.463 21.083 2.765 1.00 38.80 C ATOM 94 ND1 HIS A 31 11.619 21.223 1.678 1.00 41.76 N ATOM 95 CD2 HIS A 31 13.743 21.057 2.324 1.00 39.56 C ATOM 96 CE1 HIS A 31 12.408 21.282 0.617 1.00 40.74 C ATOM 97 NE2 HIS A 31 13.694 21.181 0.956 1.00 39.78 N ATOM 98 H HIS A 31 11.596 20.109 6.556 1.00 0.00 H ATOM 99 N PHE A 32 13.349 18.201 4.447 1.00 30.71 N ATOM 100 CA PHE A 32 14.245 17.139 3.982 1.00 29.09 C ATOM 101 C PHE A 32 13.567 15.774 4.066 1.00 33.15 C ATOM 102 O PHE A 32 13.603 15.021 3.095 1.00 32.88 O ATOM 103 CB PHE A 32 15.575 17.126 4.765 1.00 29.80 C ATOM 104 CG PHE A 32 16.557 18.237 4.466 1.00 31.05 C ATOM 105 CD1 PHE A 32 16.756 18.685 3.162 1.00 33.61 C ATOM 106 CD2 PHE A 32 17.335 18.788 5.477 1.00 33.41 C ATOM 107 CE1 PHE A 32 17.678 19.697 2.885 1.00 34.80 C ATOM 108 CE2 PHE A 32 18.258 19.801 5.199 1.00 36.66 C ATOM 109 CZ PHE A 32 18.424 20.247 3.905 1.00 34.56 C ATOM 110 H PHE A 32 13.647 18.785 5.255 1.00 0.00 H ATOM 111 N LEU A 33 12.898 15.490 5.196 1.00 30.59 N ATOM 112 CA LEU A 33 12.196 14.225 5.421 1.00 30.73 C ATOM 113 C LEU A 33 11.055 13.994 4.424 1.00 34.91 C ATOM 114 O LEU A 33 10.932 12.881 3.913 1.00 33.62 O ATOM 115 CB LEU A 33 11.701 14.122 6.870 1.00 31.87 C ATOM 116 CG LEU A 33 11.152 12.761 7.309 1.00 37.05 C ATOM 117 CD1 LEU A 33 12.276 11.789 7.662 1.00 36.36 C ATOM 118 CD2 LEU A 33 10.229 12.919 8.471 1.00 41.23 C ATOM 119 H LEU A 33 12.878 16.206 5.950 1.00 0.00 H ATOM 120 N ARG A 34 10.240 15.039 4.135 1.00 33.28 N ATOM 121 CA ARG A 34 9.129 14.945 3.177 1.00 34.50 C ATOM 122 C ARG A 34 9.635 14.603 1.777 1.00 38.44 C ATOM 123 O ARG A 34 9.064 13.729 1.123 1.00 38.73 O ATOM 124 CB ARG A 34 8.301 16.239 3.133 1.00 35.61 C ATOM 125 CG ARG A 34 7.330 16.399 4.295 1.00 46.02 C ATOM 126 CD ARG A 34 6.332 17.529 4.068 1.00 51.60 C ATOM 127 NE ARG A 34 6.980 18.804 3.743 1.00 54.87 N ATOM 128 CZ ARG A 34 7.401 19.690 4.641 1.00 68.51 C ATOM 129 NH1 ARG A 34 7.242 19.457 5.940 1.00 56.21 N ATOM 130 NH2 ARG A 34 7.982 20.815 4.249 1.00 55.17 N ATOM 131 HE ARG A 34 7.120 19.032 2.738 1.00 0.00 H ATOM 132 HH12 ARG A 34 7.573 20.154 6.638 1.00 0.00 H ATOM 133 HH11 ARG A 34 6.786 18.578 6.259 1.00 0.00 H ATOM 134 HH22 ARG A 34 8.309 21.505 4.955 1.00 0.00 H ATOM 135 HH21 ARG A 34 8.110 21.008 3.235 1.00 0.00 H ATOM 136 H ARG A 34 10.409 15.947 4.613 1.00 0.00 H ATOM 137 N GLN A 35 10.729 15.265 1.339 1.00 34.37 N ATOM 138 CA GLN A 35 11.333 15.037 0.025 1.00 34.16 C ATOM 139 C GLN A 35 11.921 13.630 -0.074 1.00 36.76 C ATOM 140 O GLN A 35 11.881 13.031 -1.149 1.00 37.07 O ATOM 141 CB GLN A 35 12.392 16.105 -0.312 1.00 35.26 C ATOM 142 CG GLN A 35 11.871 17.550 -0.408 1.00 52.41 C ATOM 143 CD GLN A 35 10.720 17.748 -1.369 1.00 74.10 C ATOM 144 OE1 GLN A 35 10.800 17.432 -2.562 1.00 70.21 O ATOM 145 NE2 GLN A 35 9.626 18.303 -0.869 1.00 67.74 N ATOM 146 HE22 GLN A 35 9.586 18.559 0.138 1.00 0.00 H ATOM 147 HE21 GLN A 35 8.807 18.483 -1.484 1.00 0.00 H ATOM 148 H GLN A 35 11.163 15.971 1.967 1.00 0.00 H ATOM 149 N LEU A 36 12.434 13.093 1.055 1.00 31.92 N ATOM 150 CA LEU A 36 12.989 11.737 1.129 1.00 30.91 C ATOM 151 C LEU A 36 11.874 10.695 1.061 1.00 35.81 C ATOM 152 O LEU A 36 12.011 9.711 0.340 1.00 35.49 O ATOM 153 CB LEU A 36 13.827 11.536 2.408 1.00 29.97 C ATOM 154 CG LEU A 36 15.180 12.243 2.463 1.00 34.03 C ATOM 155 CD1 LEU A 36 15.797 12.142 3.845 1.00 33.90 C ATOM 156 CD2 LEU A 36 16.128 11.718 1.410 1.00 35.95 C ATOM 157 H LEU A 36 12.435 13.673 1.919 1.00 0.00 H ATOM 158 N GLN A 37 10.758 10.934 1.781 1.00 34.03 N ATOM 159 CA GLN A 37 9.599 10.032 1.807 1.00 34.87 C ATOM 160 C GLN A 37 8.887 9.923 0.454 1.00 39.71 C ATOM 161 O GLN A 37 8.282 8.887 0.172 1.00 39.98 O ATOM 162 CB GLN A 37 8.630 10.391 2.942 1.00 37.51 C ATOM 163 CG GLN A 37 9.199 10.072 4.322 1.00 47.21 C ATOM 164 CD GLN A 37 8.142 9.739 5.341 1.00 62.62 C ATOM 165 OE1 GLN A 37 7.822 10.545 6.220 1.00 57.94 O ATOM 166 NE2 GLN A 37 7.617 8.521 5.284 1.00 51.26 N ATOM 167 HE22 GLN A 37 7.907 7.865 4.531 1.00 0.00 H ATOM 168 HE21 GLN A 37 6.916 8.223 5.992 1.00 0.00 H ATOM 169 H GLN A 37 10.716 11.804 2.349 1.00 0.00 H ATOM 170 N ARG A 38 9.004 10.970 -0.395 1.00 36.65 N ATOM 171 CA ARG A 38 8.451 11.018 -1.754 1.00 38.21 C ATOM 172 C ARG A 38 9.150 9.990 -2.653 1.00 41.83 C ATOM 173 O ARG A 38 8.549 9.500 -3.611 1.00 42.82 O ATOM 174 CB ARG A 38 8.621 12.421 -2.354 1.00 39.04 C ATOM 175 CG ARG A 38 7.512 13.395 -1.974 1.00 51.71 C ATOM 176 CD ARG A 38 7.707 14.776 -2.583 1.00 64.07 C ATOM 177 NE ARG A 38 7.760 14.744 -4.048 1.00 75.92 N ATOM 178 CZ ARG A 38 7.393 15.748 -4.839 1.00 93.70 C ATOM 179 NH1 ARG A 38 7.483 15.627 -6.157 1.00 82.67 N ATOM 180 NH2 ARG A 38 6.925 16.877 -4.320 1.00 82.31 N ATOM 181 HE ARG A 38 8.109 13.875 -4.500 1.00 0.00 H ATOM 182 HH12 ARG A 38 7.195 16.414 -6.772 1.00 0.00 H ATOM 183 HH11 ARG A 38 7.842 14.745 -6.575 1.00 0.00 H ATOM 184 HH22 ARG A 38 6.640 17.658 -4.945 1.00 0.00 H ATOM 185 HH21 ARG A 38 6.843 16.981 -3.288 1.00 0.00 H ATOM 186 H ARG A 38 9.526 11.805 -0.059 1.00 0.00 H ATOM 187 N LYS A 39 10.420 9.664 -2.328 1.00 36.65 N ATOM 188 CA LYS A 39 11.246 8.697 -3.052 1.00 35.96 C ATOM 189 C LYS A 39 10.882 7.245 -2.677 1.00 39.75 C ATOM 190 O LYS A 39 11.353 6.308 -3.325 1.00 39.11 O ATOM 191 CB LYS A 39 12.745 8.985 -2.829 1.00 36.72 C ATOM 192 CG LYS A 39 13.166 10.406 -3.200 1.00 47.55 C ATOM 193 CD LYS A 39 14.570 10.734 -2.704 1.00 52.91 C ATOM 194 CE LYS A 39 14.868 12.219 -2.707 1.00 58.80 C ATOM 195 NZ LYS A 39 14.970 12.776 -4.083 1.00 67.05 N ATOM 196 HZ1 LYS A 39 15.736 12.294 -4.595 1.00 0.00 H ATOM 197 HZ2 LYS A 39 14.070 12.628 -4.583 1.00 0.00 H ATOM 198 HZ3 LYS A 39 15.175 13.794 -4.029 1.00 0.00 H ATOM 199 H LYS A 39 10.842 10.135 -1.502 1.00 0.00 H ATOM 200 N ASP A 40 10.019 7.070 -1.651 1.00 36.49 N ATOM 201 CA ASP A 40 9.516 5.776 -1.174 1.00 36.39 C ATOM 202 C ASP A 40 7.962 5.792 -1.237 1.00 43.20 C ATOM 203 O ASP A 40 7.308 5.909 -0.195 1.00 42.94 O ATOM 204 CB ASP A 40 10.065 5.478 0.247 1.00 36.24 C ATOM 205 CG ASP A 40 9.511 4.246 0.953 1.00 40.14 C ATOM 206 OD1 ASP A 40 9.255 3.228 0.267 1.00 40.46 O ATOM 207 OD2 ASP A 40 9.342 4.298 2.190 1.00 40.94 O ATOM 208 H ASP A 40 9.684 7.923 -1.159 1.00 0.00 H ATOM 209 N PRO A 41 7.346 5.708 -2.451 1.00 42.70 N ATOM 210 CA PRO A 41 5.873 5.784 -2.532 1.00 45.48 C ATOM 211 C PRO A 41 5.092 4.625 -1.910 1.00 50.98 C ATOM 212 O PRO A 41 3.939 4.826 -1.526 1.00 52.96 O ATOM 213 CB PRO A 41 5.606 5.924 -4.033 1.00 48.92 C ATOM 214 CG PRO A 41 6.775 5.290 -4.683 1.00 51.74 C ATOM 215 CD PRO A 41 7.946 5.602 -3.799 1.00 44.42 C ATOM 216 N HIS A 42 5.704 3.427 -1.805 1.00 46.26 N ATOM 217 CA HIS A 42 5.053 2.245 -1.222 1.00 47.16 C ATOM 218 C HIS A 42 5.138 2.192 0.313 1.00 48.47 C ATOM 219 O HIS A 42 4.516 1.325 0.932 1.00 49.36 O ATOM 220 CB HIS A 42 5.583 0.945 -1.853 1.00 48.06 C ATOM 221 CG HIS A 42 5.393 0.870 -3.336 1.00 53.41 C ATOM 222 ND1 HIS A 42 6.464 0.975 -4.204 1.00 54.23 N ATOM 223 CD2 HIS A 42 4.258 0.719 -4.056 1.00 58.44 C ATOM 224 CE1 HIS A 42 5.951 0.878 -5.420 1.00 55.91 C ATOM 225 NE2 HIS A 42 4.627 0.725 -5.382 1.00 58.82 N ATOM 226 H HIS A 42 6.680 3.336 -2.152 1.00 0.00 H ATOM 227 N GLY A 43 5.897 3.117 0.900 1.00 42.13 N ATOM 228 CA GLY A 43 6.087 3.222 2.341 1.00 40.89 C ATOM 229 C GLY A 43 6.844 2.068 2.971 1.00 42.27 C ATOM 230 O GLY A 43 6.543 1.683 4.103 1.00 41.95 O ATOM 231 H GLY A 43 6.384 3.806 0.292 1.00 0.00 H ATOM 232 N PHE A 44 7.841 1.510 2.254 1.00 37.42 N ATOM 233 CA PHE A 44 8.664 0.407 2.769 1.00 35.80 C ATOM 234 C PHE A 44 9.512 0.846 3.964 1.00 36.99 C ATOM 235 O PHE A 44 9.796 0.033 4.838 1.00 36.16 O ATOM 236 CB PHE A 44 9.566 -0.191 1.670 1.00 36.69 C ATOM 237 CG PHE A 44 8.862 -0.869 0.516 1.00 40.07 C ATOM 238 CD1 PHE A 44 7.900 -1.849 0.741 1.00 45.04 C ATOM 239 CD2 PHE A 44 9.205 -0.574 -0.798 1.00 42.50 C ATOM 240 CE1 PHE A 44 7.257 -2.482 -0.329 1.00 47.64 C ATOM 241 CE2 PHE A 44 8.570 -1.215 -1.867 1.00 46.94 C ATOM 242 CZ PHE A 44 7.598 -2.162 -1.625 1.00 46.67 C ATOM 243 H PHE A 44 8.035 1.875 1.299 1.00 0.00 H ATOM 244 N PHE A 45 9.900 2.133 4.003 1.00 32.40 N ATOM 245 CA PHE A 45 10.723 2.706 5.072 1.00 30.57 C ATOM 246 C PHE A 45 9.910 3.563 6.060 1.00 35.66 C ATOM 247 O PHE A 45 10.494 4.196 6.945 1.00 34.29 O ATOM 248 CB PHE A 45 11.884 3.513 4.461 1.00 30.61 C ATOM 249 CG PHE A 45 12.904 2.659 3.747 1.00 30.44 C ATOM 250 CD1 PHE A 45 13.962 2.086 4.441 1.00 31.80 C ATOM 251 CD2 PHE A 45 12.800 2.417 2.381 1.00 33.02 C ATOM 252 CE1 PHE A 45 14.911 1.302 3.780 1.00 31.53 C ATOM 253 CE2 PHE A 45 13.741 1.620 1.723 1.00 34.76 C ATOM 254 CZ PHE A 45 14.784 1.060 2.429 1.00 31.31 C ATOM 255 H PHE A 45 9.598 2.759 3.229 1.00 0.00 H ATOM 256 N ALA A 46 8.572 3.557 5.929 1.00 34.82 N ATOM 257 CA ALA A 46 7.674 4.355 6.770 1.00 36.65 C ATOM 258 C ALA A 46 7.632 3.959 8.249 1.00 42.16 C ATOM 259 O ALA A 46 7.521 4.842 9.099 1.00 42.82 O ATOM 260 CB ALA A 46 6.269 4.363 6.186 1.00 39.30 C ATOM 261 H ALA A 46 8.152 2.955 5.193 1.00 0.00 H ATOM 262 N PHE A 47 7.714 2.649 8.557 1.00 38.89 N ATOM 263 CA PHE A 47 7.632 2.141 9.931 1.00 39.58 C ATOM 264 C PHE A 47 8.761 1.141 10.285 1.00 41.35 C ATOM 265 O PHE A 47 9.398 0.626 9.360 1.00 38.56 O ATOM 266 CB PHE A 47 6.238 1.520 10.174 1.00 43.94 C ATOM 267 CG PHE A 47 5.090 2.500 10.090 1.00 47.45 C ATOM 268 CD1 PHE A 47 4.757 3.301 11.176 1.00 51.97 C ATOM 269 CD2 PHE A 47 4.335 2.613 8.929 1.00 50.30 C ATOM 270 CE1 PHE A 47 3.695 4.208 11.097 1.00 54.80 C ATOM 271 CE2 PHE A 47 3.272 3.518 8.852 1.00 55.12 C ATOM 272 CZ PHE A 47 2.959 4.309 9.936 1.00 54.46 C ATOM 273 H PHE A 47 7.842 1.966 7.783 1.00 0.00 H ATOM 274 N PRO A 48 9.044 0.857 11.593 1.00 38.82 N ATOM 275 CA PRO A 48 10.121 -0.102 11.920 1.00 37.60 C ATOM 276 C PRO A 48 9.897 -1.497 11.341 1.00 40.98 C ATOM 277 O PRO A 48 8.752 -1.948 11.240 1.00 42.17 O ATOM 278 CB PRO A 48 10.116 -0.149 13.455 1.00 41.05 C ATOM 279 CG PRO A 48 9.420 1.089 13.886 1.00 46.78 C ATOM 280 CD PRO A 48 8.412 1.383 12.824 1.00 42.65 C ATOM 281 N VAL A 49 10.991 -2.173 10.950 1.00 35.45 N ATOM 282 CA VAL A 49 10.919 -3.528 10.395 1.00 34.72 C ATOM 283 C VAL A 49 10.764 -4.530 11.550 1.00 40.30 C ATOM 284 O VAL A 49 11.660 -4.653 12.388 1.00 39.73 O ATOM 285 CB VAL A 49 12.126 -3.878 9.477 1.00 35.96 C ATOM 286 CG1 VAL A 49 11.960 -5.263 8.865 1.00 35.76 C ATOM 287 CG2 VAL A 49 12.321 -2.833 8.380 1.00 34.51 C ATOM 288 H VAL A 49 11.922 -1.719 11.045 1.00 0.00 H ATOM 289 N THR A 50 9.631 -5.241 11.587 1.00 38.76 N ATOM 290 CA THR A 50 9.359 -6.238 12.625 1.00 40.19 C ATOM 291 C THR A 50 9.842 -7.617 12.178 1.00 43.03 C ATOM 292 O THR A 50 9.991 -7.855 10.978 1.00 40.66 O ATOM 293 CB THR A 50 7.866 -6.246 13.007 1.00 51.35 C ATOM 294 OG1 THR A 50 7.086 -6.535 11.848 1.00 51.70 O ATOM 295 CG2 THR A 50 7.405 -4.932 13.639 1.00 50.67 C ATOM 296 HG1 THR A 50 6.126 -6.541 12.091 1.00 0.00 H ATOM 297 H THR A 50 8.915 -5.079 10.850 1.00 0.00 H ATOM 298 N ASP A 51 10.081 -8.529 13.143 1.00 41.38 N ATOM 299 CA ASP A 51 10.521 -9.900 12.864 1.00 41.07 C ATOM 300 C ASP A 51 9.443 -10.720 12.134 1.00 47.98 C ATOM 301 O ASP A 51 9.782 -11.659 11.414 1.00 46.88 O ATOM 302 CB ASP A 51 10.993 -10.608 14.149 1.00 43.66 C ATOM 303 CG ASP A 51 12.392 -10.237 14.630 1.00 47.02 C ATOM 304 OD1 ASP A 51 13.018 -9.338 14.020 1.00 43.94 O ATOM 305 OD2 ASP A 51 12.860 -10.847 15.616 1.00 51.56 O ATOM 306 H ASP A 51 9.946 -8.246 14.135 1.00 0.00 H ATOM 307 N ALA A 52 8.155 -10.341 12.294 1.00 48.00 N ATOM 308 CA ALA A 52 7.015 -10.984 11.633 1.00 49.95 C ATOM 309 C ALA A 52 7.074 -10.772 10.116 1.00 53.00 C ATOM 310 O ALA A 52 6.890 -11.728 9.364 1.00 52.99 O ATOM 311 CB ALA A 52 5.707 -10.442 12.190 1.00 53.38 C ATOM 312 H ALA A 52 7.960 -9.540 12.928 1.00 0.00 H ATOM 313 N ILE A 53 7.363 -9.531 9.671 1.00 48.85 N ATOM 314 CA ILE A 53 7.478 -9.197 8.246 1.00 47.62 C ATOM 315 C ILE A 53 8.816 -9.638 7.643 1.00 48.66 C ATOM 316 O ILE A 53 8.855 -10.021 6.474 1.00 48.01 O ATOM 317 CB ILE A 53 7.100 -7.728 7.904 1.00 51.03 C ATOM 318 CG1 ILE A 53 7.957 -6.706 8.692 1.00 50.27 C ATOM 319 CG2 ILE A 53 5.590 -7.494 8.093 1.00 54.56 C ATOM 320 CD1 ILE A 53 8.011 -5.286 8.135 1.00 57.85 C ATOM 321 H ILE A 53 7.511 -8.776 10.370 1.00 0.00 H ATOM 322 N ALA A 54 9.902 -9.603 8.442 1.00 43.37 N ATOM 323 CA ALA A 54 11.239 -10.014 8.013 1.00 40.96 C ATOM 324 C ALA A 54 11.859 -10.981 9.034 1.00 44.62 C ATOM 325 O ALA A 54 12.380 -10.530 10.058 1.00 43.46 O ATOM 326 CB ALA A 54 12.131 -8.798 7.815 1.00 40.02 C ATOM 327 H ALA A 54 9.782 -9.265 9.418 1.00 0.00 H ATOM 328 N PRO A 55 11.787 -12.316 8.792 1.00 42.08 N ATOM 329 CA PRO A 55 12.346 -13.276 9.764 1.00 41.91 C ATOM 330 C PRO A 55 13.824 -13.069 10.083 1.00 42.21 C ATOM 331 O PRO A 55 14.630 -12.836 9.181 1.00 40.20 O ATOM 332 CB PRO A 55 12.095 -14.636 9.103 1.00 44.42 C ATOM 333 CG PRO A 55 10.951 -14.400 8.178 1.00 49.91 C ATOM 334 CD PRO A 55 11.171 -13.019 7.647 1.00 44.31 C ATOM 335 N GLY A 56 14.141 -13.117 11.375 1.00 37.96 N ATOM 336 CA GLY A 56 15.494 -12.949 11.897 1.00 36.00 C ATOM 337 C GLY A 56 16.087 -11.562 11.746 1.00 36.60 C ATOM 338 O GLY A 56 17.311 -11.421 11.806 1.00 36.34 O ATOM 339 H GLY A 56 13.374 -13.285 12.057 1.00 0.00 H ATOM 340 N TYR A 57 15.238 -10.524 11.552 1.00 30.34 N ATOM 341 CA TYR A 57 15.698 -9.142 11.379 1.00 27.59 C ATOM 342 C TYR A 57 16.471 -8.627 12.606 1.00 31.20 C ATOM 343 O TYR A 57 17.589 -8.135 12.446 1.00 29.14 O ATOM 344 CB TYR A 57 14.535 -8.198 11.006 1.00 28.19 C ATOM 345 CG TYR A 57 15.000 -6.839 10.528 1.00 27.14 C ATOM 346 CD1 TYR A 57 15.374 -6.634 9.203 1.00 27.14 C ATOM 347 CD2 TYR A 57 15.075 -5.758 11.403 1.00 28.25 C ATOM 348 CE1 TYR A 57 15.813 -5.387 8.759 1.00 26.12 C ATOM 349 CE2 TYR A 57 15.513 -4.507 10.972 1.00 28.02 C ATOM 350 CZ TYR A 57 15.885 -4.327 9.648 1.00 31.99 C ATOM 351 OH TYR A 57 16.336 -3.102 9.224 1.00 29.81 O ATOM 352 HH TYR A 57 16.556 -3.148 8.260 1.00 0.00 H ATOM 353 H TYR A 57 14.216 -10.715 11.525 1.00 0.00 H ATOM 354 N SER A 58 15.890 -8.773 13.819 1.00 29.65 N ATOM 355 CA SER A 58 16.490 -8.329 15.090 1.00 30.42 C ATOM 356 C SER A 58 17.814 -9.045 15.416 1.00 34.90 C ATOM 357 O SER A 58 18.638 -8.498 16.149 1.00 34.68 O ATOM 358 CB SER A 58 15.501 -8.489 16.240 1.00 34.89 C ATOM 359 OG SER A 58 15.213 -9.855 16.484 1.00 38.98 O ATOM 360 HG SER A 58 16.049 -10.331 16.718 1.00 0.00 H ATOM 361 H SER A 58 14.956 -9.230 13.857 1.00 0.00 H ATOM 362 N MET A 59 18.000 -10.261 14.873 1.00 32.31 N ATOM 363 CA MET A 59 19.198 -11.093 15.020 1.00 33.01 C ATOM 364 C MET A 59 20.379 -10.460 14.256 1.00 32.74 C ATOM 365 O MET A 59 21.523 -10.581 14.693 1.00 31.92 O ATOM 366 CB MET A 59 18.894 -12.510 14.472 1.00 36.45 C ATOM 367 CG MET A 59 20.096 -13.454 14.373 1.00 41.48 C ATOM 368 SD MET A 59 20.514 -14.337 15.899 1.00 49.63 S ATOM 369 CE MET A 59 19.021 -15.307 16.150 1.00 47.77 C ATOM 370 H MET A 59 17.224 -10.646 14.297 1.00 0.00 H ATOM 371 N ILE A 60 20.086 -9.782 13.131 1.00 27.72 N ATOM 372 CA ILE A 60 21.065 -9.173 12.222 1.00 26.10 C ATOM 373 C ILE A 60 21.229 -7.660 12.420 1.00 29.05 C ATOM 374 O ILE A 60 22.362 -7.169 12.452 1.00 28.43 O ATOM 375 CB ILE A 60 20.703 -9.554 10.749 1.00 28.40 C ATOM 376 CG1 ILE A 60 20.773 -11.092 10.538 1.00 30.08 C ATOM 377 CG2 ILE A 60 21.571 -8.803 9.718 1.00 27.63 C ATOM 378 CD1 ILE A 60 19.846 -11.651 9.431 1.00 41.12 C ATOM 379 H ILE A 60 19.081 -9.681 12.885 1.00 0.00 H ATOM 380 N ILE A 61 20.109 -6.924 12.501 1.00 24.79 N ATOM 381 CA ILE A 61 20.109 -5.465 12.635 1.00 24.13 C ATOM 382 C ILE A 61 19.965 -5.047 14.098 1.00 30.54 C ATOM 383 O ILE A 61 18.904 -5.236 14.700 1.00 31.55 O ATOM 384 CB ILE A 61 19.055 -4.832 11.680 1.00 25.87 C ATOM 385 CG1 ILE A 61 19.306 -5.224 10.189 1.00 24.71 C ATOM 386 CG2 ILE A 61 18.917 -3.318 11.871 1.00 25.61 C ATOM 387 CD1 ILE A 61 20.740 -4.899 9.577 1.00 29.92 C ATOM 388 H ILE A 61 19.193 -7.415 12.467 1.00 0.00 H ATOM 389 N LYS A 62 21.052 -4.492 14.663 1.00 28.14 N ATOM 390 CA LYS A 62 21.118 -4.075 16.069 1.00 30.13 C ATOM 391 C LYS A 62 20.725 -2.626 16.313 1.00 35.96 C ATOM 392 O LYS A 62 20.308 -2.291 17.423 1.00 37.99 O ATOM 393 CB LYS A 62 22.501 -4.386 16.678 1.00 32.72 C ATOM 394 CG LYS A 62 22.890 -5.870 16.644 1.00 39.06 C ATOM 395 CD LYS A 62 21.996 -6.741 17.529 1.00 45.06 C ATOM 396 CE LYS A 62 21.985 -8.175 17.072 1.00 48.03 C ATOM 397 NZ LYS A 62 20.913 -8.950 17.747 1.00 51.77 N ATOM 398 HZ1 LYS A 62 21.069 -8.932 18.775 1.00 0.00 H ATOM 399 HZ2 LYS A 62 19.989 -8.526 17.527 1.00 0.00 H ATOM 400 HZ3 LYS A 62 20.933 -9.934 17.410 1.00 0.00 H ATOM 401 H LYS A 62 21.894 -4.350 14.070 1.00 0.00 H ATOM 402 N HIS A 63 20.846 -1.768 15.286 1.00 31.31 N ATOM 403 CA HIS A 63 20.494 -0.354 15.388 1.00 31.92 C ATOM 404 C HIS A 63 19.424 -0.016 14.330 1.00 34.29 C ATOM 405 O HIS A 63 19.748 0.571 13.296 1.00 32.24 O ATOM 406 CB HIS A 63 21.758 0.528 15.292 1.00 32.82 C ATOM 407 CG HIS A 63 22.843 0.111 16.241 1.00 38.00 C ATOM 408 ND1 HIS A 63 22.754 0.369 17.599 1.00 42.36 N ATOM 409 CD2 HIS A 63 23.991 -0.564 15.999 1.00 39.84 C ATOM 410 CE1 HIS A 63 23.851 -0.144 18.135 1.00 42.87 C ATOM 411 NE2 HIS A 63 24.625 -0.716 17.213 1.00 41.87 N ATOM 412 H HIS A 63 21.206 -2.126 14.379 1.00 0.00 H ATOM 413 N PRO A 64 18.143 -0.417 14.548 1.00 31.79 N ATOM 414 CA PRO A 64 17.117 -0.153 13.527 1.00 30.68 C ATOM 415 C PRO A 64 16.737 1.315 13.385 1.00 33.00 C ATOM 416 O PRO A 64 16.856 2.087 14.337 1.00 33.01 O ATOM 417 CB PRO A 64 15.928 -0.992 13.991 1.00 34.08 C ATOM 418 CG PRO A 64 16.095 -1.104 15.460 1.00 40.54 C ATOM 419 CD PRO A 64 17.573 -1.141 15.706 1.00 35.44 C ATOM 420 N MET A 65 16.282 1.691 12.183 1.00 28.36 N ATOM 421 CA MET A 65 15.846 3.051 11.869 1.00 27.35 C ATOM 422 C MET A 65 14.799 3.019 10.761 1.00 32.34 C ATOM 423 O MET A 65 14.791 2.100 9.938 1.00 31.98 O ATOM 424 CB MET A 65 17.052 3.943 11.493 1.00 27.98 C ATOM 425 CG MET A 65 16.752 5.449 11.456 1.00 30.67 C ATOM 426 SD MET A 65 15.846 6.144 12.872 1.00 35.66 S ATOM 427 CE MET A 65 17.035 5.884 14.186 1.00 33.39 C ATOM 428 H MET A 65 16.236 0.975 11.430 1.00 0.00 H ATOM 429 N ASP A 66 13.891 4.005 10.774 1.00 30.34 N ATOM 430 CA ASP A 66 12.821 4.168 9.793 1.00 30.46 C ATOM 431 C ASP A 66 12.409 5.637 9.740 1.00 35.23 C ATOM 432 O ASP A 66 12.802 6.408 10.621 1.00 35.15 O ATOM 433 CB ASP A 66 11.623 3.269 10.134 1.00 33.29 C ATOM 434 CG ASP A 66 10.944 3.628 11.439 1.00 42.60 C ATOM 435 OD1 ASP A 66 11.496 3.290 12.504 1.00 43.10 O ATOM 436 OD2 ASP A 66 9.874 4.265 11.391 1.00 46.69 O ATOM 437 H ASP A 66 13.953 4.706 11.540 1.00 0.00 H ATOM 438 N PHE A 67 11.628 6.024 8.712 1.00 31.89 N ATOM 439 CA PHE A 67 11.162 7.400 8.527 1.00 31.91 C ATOM 440 C PHE A 67 10.261 7.901 9.666 1.00 38.20 C ATOM 441 O PHE A 67 10.349 9.075 10.033 1.00 37.84 O ATOM 442 CB PHE A 67 10.477 7.578 7.161 1.00 33.58 C ATOM 443 CG PHE A 67 11.379 7.661 5.947 1.00 33.27 C ATOM 444 CD1 PHE A 67 12.509 8.473 5.950 1.00 34.70 C ATOM 445 CD2 PHE A 67 11.040 7.011 4.766 1.00 35.02 C ATOM 446 CE1 PHE A 67 13.313 8.586 4.811 1.00 34.42 C ATOM 447 CE2 PHE A 67 11.842 7.130 3.626 1.00 36.36 C ATOM 448 CZ PHE A 67 12.969 7.921 3.655 1.00 33.43 C ATOM 449 H PHE A 67 11.341 5.308 8.014 1.00 0.00 H ATOM 450 N GLY A 68 9.430 7.008 10.216 1.00 36.53 N ATOM 451 CA GLY A 68 8.528 7.307 11.327 1.00 38.55 C ATOM 452 C GLY A 68 9.268 7.712 12.586 1.00 42.45 C ATOM 453 O GLY A 68 8.918 8.719 13.209 1.00 43.67 O ATOM 454 H GLY A 68 9.426 6.042 9.830 1.00 0.00 H ATOM 455 N THR A 69 10.330 6.949 12.946 1.00 37.17 N ATOM 456 CA THR A 69 11.197 7.217 14.103 1.00 36.85 C ATOM 457 C THR A 69 11.930 8.544 13.889 1.00 38.81 C ATOM 458 O THR A 69 12.074 9.320 14.834 1.00 39.59 O ATOM 459 CB THR A 69 12.137 6.024 14.367 1.00 43.30 C ATOM 460 OG1 THR A 69 11.344 4.856 14.575 1.00 42.31 O ATOM 461 CG2 THR A 69 13.045 6.234 15.581 1.00 42.98 C ATOM 462 HG1 THR A 69 10.797 4.682 13.769 1.00 0.00 H ATOM 463 H THR A 69 10.546 6.116 12.363 1.00 0.00 H ATOM 464 N MET A 70 12.353 8.815 12.635 1.00 32.56 N ATOM 465 CA MET A 70 13.005 10.071 12.266 1.00 31.07 C ATOM 466 C MET A 70 12.019 11.237 12.435 1.00 36.53 C ATOM 467 O MET A 70 12.383 12.251 13.031 1.00 36.55 O ATOM 468 CB MET A 70 13.564 10.005 10.841 1.00 31.04 C ATOM 469 CG MET A 70 14.810 9.145 10.743 1.00 32.73 C ATOM 470 SD MET A 70 15.364 8.842 9.055 1.00 34.32 S ATOM 471 CE MET A 70 16.081 10.423 8.654 1.00 31.43 C ATOM 472 H MET A 70 12.208 8.097 11.897 1.00 0.00 H ATOM 473 N LYS A 71 10.755 11.053 11.977 1.00 34.79 N ATOM 474 CA LYS A 71 9.674 12.041 12.118 1.00 36.62 C ATOM 475 C LYS A 71 9.411 12.330 13.601 1.00 43.27 C ATOM 476 O LYS A 71 9.287 13.498 13.969 1.00 43.65 O ATOM 477 CB LYS A 71 8.388 11.571 11.396 1.00 39.89 C ATOM 478 CG LYS A 71 7.167 12.510 11.499 1.00 53.80 C ATOM 479 CD LYS A 71 7.360 13.867 10.796 1.00 63.06 C ATOM 480 CE LYS A 71 6.059 14.581 10.493 1.00 75.86 C ATOM 481 NZ LYS A 71 5.362 15.050 11.721 1.00 86.56 N ATOM 482 HZ1 LYS A 71 5.144 14.234 12.328 1.00 0.00 H ATOM 483 HZ2 LYS A 71 5.977 15.712 12.236 1.00 0.00 H ATOM 484 HZ3 LYS A 71 4.479 15.531 11.455 1.00 0.00 H ATOM 485 H LYS A 71 10.537 10.157 11.496 1.00 0.00 H ATOM 486 N ASP A 72 9.376 11.273 14.448 1.00 41.35 N ATOM 487 CA ASP A 72 9.178 11.399 15.897 1.00 43.53 C ATOM 488 C ASP A 72 10.336 12.161 16.544 1.00 46.63 C ATOM 489 O ASP A 72 10.099 12.963 17.445 1.00 48.13 O ATOM 490 CB ASP A 72 9.000 10.022 16.561 1.00 46.33 C ATOM 491 CG ASP A 72 7.718 9.283 16.206 1.00 58.42 C ATOM 492 OD1 ASP A 72 6.704 9.954 15.909 1.00 60.32 O ATOM 493 OD2 ASP A 72 7.715 8.035 16.276 1.00 64.71 O ATOM 494 H ASP A 72 9.496 10.320 14.050 1.00 0.00 H ATOM 495 N LYS A 73 11.578 11.927 16.065 1.00 40.49 N ATOM 496 CA LYS A 73 12.776 12.607 16.562 1.00 39.80 C ATOM 497 C LYS A 73 12.804 14.099 16.194 1.00 43.45 C ATOM 498 O LYS A 73 13.326 14.894 16.977 1.00 44.86 O ATOM 499 CB LYS A 73 14.054 11.890 16.112 1.00 40.09 C ATOM 500 CG LYS A 73 14.387 10.649 16.940 1.00 47.65 C ATOM 501 CD LYS A 73 15.667 9.949 16.472 1.00 50.56 C ATOM 502 CE LYS A 73 16.931 10.576 17.022 1.00 55.85 C ATOM 503 NZ LYS A 73 18.141 9.784 16.675 1.00 56.95 N ATOM 504 HZ1 LYS A 73 18.053 8.827 17.072 1.00 0.00 H ATOM 505 HZ2 LYS A 73 18.230 9.725 15.641 1.00 0.00 H ATOM 506 HZ3 LYS A 73 18.983 10.249 17.071 1.00 0.00 H ATOM 507 H LYS A 73 11.689 11.227 15.304 1.00 0.00 H ATOM 508 N ILE A 74 12.234 14.486 15.023 1.00 38.24 N ATOM 509 CA ILE A 74 12.151 15.899 14.609 1.00 37.83 C ATOM 510 C ILE A 74 11.140 16.600 15.531 1.00 45.21 C ATOM 511 O ILE A 74 11.457 17.649 16.098 1.00 46.16 O ATOM 512 CB ILE A 74 11.787 16.094 13.099 1.00 39.10 C ATOM 513 CG1 ILE A 74 12.875 15.523 12.161 1.00 36.93 C ATOM 514 CG2 ILE A 74 11.508 17.583 12.773 1.00 39.93 C ATOM 515 CD1 ILE A 74 12.376 15.235 10.740 1.00 43.37 C ATOM 516 H ILE A 74 11.841 13.757 14.394 1.00 0.00 H ATOM 517 N VAL A 75 9.935 16.000 15.688 1.00 43.86 N ATOM 518 CA VAL A 75 8.838 16.503 16.530 1.00 46.69 C ATOM 519 C VAL A 75 9.301 16.713 17.990 1.00 53.33 C ATOM 520 O VAL A 75 9.006 17.756 18.581 1.00 54.46 O ATOM 521 CB VAL A 75 7.560 15.614 16.414 1.00 52.00 C ATOM 522 CG1 VAL A 75 6.473 16.043 17.400 1.00 55.14 C ATOM 523 CG2 VAL A 75 7.010 15.626 14.989 1.00 50.71 C ATOM 524 H VAL A 75 9.772 15.112 15.172 1.00 0.00 H ATOM 525 N ALA A 76 10.065 15.746 18.538 1.00 50.02 N ATOM 526 CA ALA A 76 10.606 15.794 19.901 1.00 51.96 C ATOM 527 C ALA A 76 11.841 16.709 20.036 1.00 56.01 C ATOM 528 O ALA A 76 12.289 16.952 21.161 1.00 57.50 O ATOM 529 CB ALA A 76 10.938 14.387 20.380 1.00 52.61 C ATOM 530 H ALA A 76 10.285 14.912 17.957 1.00 0.00 H ATOM 531 N ASN A 77 12.371 17.226 18.895 1.00 50.66 N ATOM 532 CA ASN A 77 13.552 18.102 18.804 1.00 50.05 C ATOM 533 C ASN A 77 14.820 17.374 19.313 1.00 53.87 C ATOM 534 O ASN A 77 15.619 17.930 20.074 1.00 54.58 O ATOM 535 CB ASN A 77 13.303 19.467 19.497 1.00 54.64 C ATOM 536 CG ASN A 77 14.218 20.592 19.069 1.00 78.65 C ATOM 537 OD1 ASN A 77 14.451 20.835 17.879 1.00 71.07 O ATOM 538 ND2 ASN A 77 14.706 21.350 20.040 1.00 73.28 N ATOM 539 HD22 ASN A 77 14.495 21.123 21.033 1.00 0.00 H ATOM 540 HD21 ASN A 77 15.300 22.172 19.809 1.00 0.00 H ATOM 541 H ASN A 77 11.898 16.980 18.002 1.00 0.00 H ATOM 542 N GLU A 78 14.980 16.109 18.874 1.00 49.25 N ATOM 543 CA GLU A 78 16.095 15.225 19.225 1.00 48.64 C ATOM 544 C GLU A 78 17.326 15.419 18.336 1.00 50.17 C ATOM 545 O GLU A 78 18.410 14.945 18.686 1.00 50.10 O ATOM 546 CB GLU A 78 15.645 13.755 19.221 1.00 49.73 C ATOM 547 CG GLU A 78 14.966 13.330 20.510 1.00 63.27 C ATOM 548 CD GLU A 78 14.474 11.897 20.520 1.00 85.76 C ATOM 549 OE1 GLU A 78 15.319 10.974 20.557 1.00 81.98 O ATOM 550 OE2 GLU A 78 13.238 11.696 20.507 1.00 80.91 O ATOM 551 H GLU A 78 14.253 15.730 18.234 1.00 0.00 H ATOM 552 N TYR A 79 17.168 16.104 17.187 1.00 44.25 N ATOM 553 CA TYR A 79 18.289 16.365 16.290 1.00 41.83 C ATOM 554 C TYR A 79 18.887 17.736 16.575 1.00 46.45 C ATOM 555 O TYR A 79 18.181 18.746 16.502 1.00 47.00 O ATOM 556 CB TYR A 79 17.883 16.252 14.811 1.00 40.16 C ATOM 557 CG TYR A 79 17.440 14.875 14.375 1.00 39.66 C ATOM 558 CD1 TYR A 79 18.337 13.811 14.337 1.00 40.45 C ATOM 559 CD2 TYR A 79 16.145 14.652 13.918 1.00 40.04 C ATOM 560 CE1 TYR A 79 17.940 12.544 13.914 1.00 39.76 C ATOM 561 CE2 TYR A 79 15.741 13.395 13.473 1.00 39.89 C ATOM 562 CZ TYR A 79 16.640 12.340 13.484 1.00 44.42 C ATOM 563 OH TYR A 79 16.244 11.098 13.057 1.00 41.70 O ATOM 564 HH TYR A 79 17.004 10.467 13.131 1.00 0.00 H ATOM 565 H TYR A 79 16.223 16.456 16.933 1.00 0.00 H ATOM 566 N LYS A 80 20.185 17.760 16.913 1.00 42.92 N ATOM 567 CA LYS A 80 20.935 18.984 17.195 1.00 43.85 C ATOM 568 C LYS A 80 21.531 19.566 15.909 1.00 44.50 C ATOM 569 O LYS A 80 21.887 20.744 15.879 1.00 44.87 O ATOM 570 CB LYS A 80 22.040 18.711 18.227 1.00 48.61 C ATOM 571 H LYS A 80 20.689 16.853 16.979 1.00 0.00 H ATOM 572 N SER A 81 21.644 18.736 14.851 1.00 38.13 N ATOM 573 CA SER A 81 22.204 19.139 13.562 1.00 35.93 C ATOM 574 C SER A 81 21.647 18.301 12.411 1.00 37.70 C ATOM 575 O SER A 81 21.110 17.213 12.638 1.00 37.20 O ATOM 576 CB SER A 81 23.725 19.006 13.589 1.00 39.37 C ATOM 577 OG SER A 81 24.112 17.640 13.588 1.00 42.60 O ATOM 578 HG SER A 81 25.100 17.578 13.606 1.00 0.00 H ATOM 579 H SER A 81 21.315 17.755 14.958 1.00 0.00 H ATOM 580 N VAL A 82 21.833 18.789 11.170 1.00 33.15 N ATOM 581 CA VAL A 82 21.461 18.071 9.945 1.00 31.92 C ATOM 582 C VAL A 82 22.356 16.811 9.813 1.00 34.40 C ATOM 583 O VAL A 82 21.890 15.785 9.320 1.00 32.18 O ATOM 584 CB VAL A 82 21.503 18.986 8.690 1.00 36.02 C ATOM 585 CG1 VAL A 82 22.902 19.538 8.439 1.00 36.43 C ATOM 586 CG2 VAL A 82 20.961 18.275 7.450 1.00 34.78 C ATOM 587 H VAL A 82 22.266 19.730 11.074 1.00 0.00 H ATOM 588 N THR A 83 23.620 16.893 10.304 1.00 31.70 N ATOM 589 CA THR A 83 24.594 15.792 10.313 1.00 30.98 C ATOM 590 C THR A 83 24.027 14.580 11.074 1.00 34.43 C ATOM 591 O THR A 83 24.144 13.455 10.590 1.00 32.77 O ATOM 592 CB THR A 83 25.961 16.291 10.826 1.00 40.68 C ATOM 593 OG1 THR A 83 26.419 17.334 9.963 1.00 41.92 O ATOM 594 CG2 THR A 83 27.022 15.187 10.886 1.00 39.94 C ATOM 595 HG1 THR A 83 25.765 18.077 9.969 1.00 0.00 H ATOM 596 H THR A 83 23.922 17.804 10.704 1.00 0.00 H ATOM 597 N GLU A 84 23.370 14.822 12.230 1.00 31.83 N ATOM 598 CA GLU A 84 22.731 13.774 13.036 1.00 31.77 C ATOM 599 C GLU A 84 21.563 13.138 12.279 1.00 34.53 C ATOM 600 O GLU A 84 21.401 11.918 12.322 1.00 34.12 O ATOM 601 CB GLU A 84 22.236 14.335 14.369 1.00 34.86 C ATOM 602 CG GLU A 84 23.345 14.610 15.367 1.00 45.79 C ATOM 603 CD GLU A 84 22.897 15.154 16.711 1.00 58.48 C ATOM 604 OE1 GLU A 84 21.679 15.370 16.905 1.00 50.00 O ATOM 605 OE2 GLU A 84 23.776 15.364 17.576 1.00 49.84 O ATOM 606 H GLU A 84 23.314 15.804 12.567 1.00 0.00 H ATOM 607 N PHE A 85 20.752 13.975 11.591 1.00 30.22 N ATOM 608 CA PHE A 85 19.612 13.544 10.776 1.00 28.52 C ATOM 609 C PHE A 85 20.112 12.666 9.621 1.00 30.10 C ATOM 610 O PHE A 85 19.577 11.575 9.404 1.00 28.68 O ATOM 611 CB PHE A 85 18.848 14.775 10.254 1.00 29.66 C ATOM 612 CG PHE A 85 17.675 14.487 9.348 1.00 30.10 C ATOM 613 CD1 PHE A 85 16.433 14.157 9.875 1.00 33.78 C ATOM 614 CD2 PHE A 85 17.798 14.602 7.969 1.00 30.73 C ATOM 615 CE1 PHE A 85 15.338 13.924 9.037 1.00 34.62 C ATOM 616 CE2 PHE A 85 16.705 14.350 7.129 1.00 33.46 C ATOM 617 CZ PHE A 85 15.483 14.017 7.669 1.00 32.40 C ATOM 618 H PHE A 85 20.951 14.994 11.644 1.00 0.00 H ATOM 619 N LYS A 86 21.170 13.128 8.921 1.00 26.21 N ATOM 620 CA LYS A 86 21.813 12.415 7.810 1.00 24.98 C ATOM 621 C LYS A 86 22.347 11.057 8.261 1.00 29.69 C ATOM 622 O LYS A 86 22.221 10.084 7.515 1.00 28.82 O ATOM 623 CB LYS A 86 22.947 13.254 7.204 1.00 27.15 C ATOM 624 CG LYS A 86 22.455 14.415 6.337 1.00 30.09 C ATOM 625 CD LYS A 86 23.562 15.438 6.048 1.00 34.93 C ATOM 626 CE LYS A 86 24.661 14.910 5.147 1.00 38.42 C ATOM 627 NZ LYS A 86 25.631 15.982 4.796 1.00 40.14 N ATOM 628 HZ1 LYS A 86 25.134 16.749 4.299 1.00 0.00 H ATOM 629 HZ2 LYS A 86 26.064 16.354 5.665 1.00 0.00 H ATOM 630 HZ3 LYS A 86 26.371 15.590 4.179 1.00 0.00 H ATOM 631 H LYS A 86 21.557 14.056 9.188 1.00 0.00 H ATOM 632 N ALA A 87 22.917 10.990 9.488 1.00 27.88 N ATOM 633 CA ALA A 87 23.448 9.751 10.068 1.00 27.92 C ATOM 634 C ALA A 87 22.334 8.716 10.276 1.00 30.84 C ATOM 635 O ALA A 87 22.544 7.539 9.985 1.00 29.10 O ATOM 636 CB ALA A 87 24.160 10.040 11.380 1.00 30.19 C ATOM 637 H ALA A 87 22.982 11.863 10.049 1.00 0.00 H ATOM 638 N ASP A 88 21.142 9.160 10.747 1.00 28.28 N ATOM 639 CA ASP A 88 19.984 8.280 10.946 1.00 27.95 C ATOM 640 C ASP A 88 19.451 7.794 9.602 1.00 30.29 C ATOM 641 O ASP A 88 19.094 6.622 9.473 1.00 29.16 O ATOM 642 CB ASP A 88 18.878 8.982 11.748 1.00 30.81 C ATOM 643 CG ASP A 88 18.964 8.792 13.253 1.00 38.71 C ATOM 644 OD1 ASP A 88 19.918 8.126 13.719 1.00 38.98 O ATOM 645 OD2 ASP A 88 18.060 9.277 13.962 1.00 41.48 O ATOM 646 H ASP A 88 21.044 10.169 10.978 1.00 0.00 H ATOM 647 N PHE A 89 19.420 8.693 8.595 1.00 26.01 N ATOM 648 CA PHE A 89 18.980 8.348 7.245 1.00 24.65 C ATOM 649 C PHE A 89 19.917 7.290 6.641 1.00 26.35 C ATOM 650 O PHE A 89 19.435 6.291 6.100 1.00 25.63 O ATOM 651 CB PHE A 89 18.902 9.593 6.350 1.00 26.09 C ATOM 652 CG PHE A 89 18.540 9.267 4.922 1.00 26.62 C ATOM 653 CD1 PHE A 89 17.313 8.690 4.612 1.00 29.29 C ATOM 654 CD2 PHE A 89 19.439 9.503 3.891 1.00 27.31 C ATOM 655 CE1 PHE A 89 16.984 8.377 3.294 1.00 30.31 C ATOM 656 CE2 PHE A 89 19.106 9.192 2.571 1.00 29.81 C ATOM 657 CZ PHE A 89 17.886 8.625 2.284 1.00 28.33 C ATOM 658 H PHE A 89 19.721 9.670 8.788 1.00 0.00 H ATOM 659 N LYS A 90 21.246 7.494 6.778 1.00 22.80 N ATOM 660 CA LYS A 90 22.270 6.562 6.298 1.00 22.11 C ATOM 661 C LYS A 90 22.146 5.213 7.008 1.00 26.35 C ATOM 662 O LYS A 90 22.269 4.178 6.352 1.00 25.42 O ATOM 663 CB LYS A 90 23.689 7.145 6.460 1.00 24.54 C ATOM 664 CG LYS A 90 24.755 6.302 5.764 1.00 27.08 C ATOM 665 CD LYS A 90 26.141 6.913 5.823 1.00 31.76 C ATOM 666 CE LYS A 90 27.147 6.064 5.078 1.00 36.73 C ATOM 667 NZ LYS A 90 27.487 4.816 5.818 1.00 38.49 N ATOM 668 HZ1 LYS A 90 27.893 5.063 6.743 1.00 0.00 H ATOM 669 HZ2 LYS A 90 26.625 4.251 5.956 1.00 0.00 H ATOM 670 HZ3 LYS A 90 28.179 4.267 5.269 1.00 0.00 H ATOM 671 H LYS A 90 21.561 8.364 7.252 1.00 0.00 H ATOM 672 N LEU A 91 21.897 5.230 8.339 1.00 23.47 N ATOM 673 CA LEU A 91 21.719 4.019 9.149 1.00 23.47 C ATOM 674 C LEU A 91 20.545 3.190 8.630 1.00 25.84 C ATOM 675 O LEU A 91 20.698 1.983 8.442 1.00 24.72 O ATOM 676 CB LEU A 91 21.530 4.377 10.638 1.00 24.81 C ATOM 677 CG LEU A 91 21.213 3.223 11.604 1.00 29.55 C ATOM 678 CD1 LEU A 91 22.369 2.230 11.687 1.00 29.07 C ATOM 679 CD2 LEU A 91 20.882 3.759 12.982 1.00 32.38 C ATOM 680 H LEU A 91 21.828 6.153 8.814 1.00 0.00 H ATOM 681 N MET A 92 19.398 3.848 8.359 1.00 23.29 N ATOM 682 CA MET A 92 18.191 3.216 7.816 1.00 22.67 C ATOM 683 C MET A 92 18.500 2.512 6.478 1.00 25.20 C ATOM 684 O MET A 92 18.109 1.355 6.288 1.00 24.16 O ATOM 685 CB MET A 92 17.094 4.275 7.638 1.00 25.05 C ATOM 686 CG MET A 92 15.774 3.713 7.165 1.00 28.71 C ATOM 687 SD MET A 92 14.620 5.011 6.665 1.00 32.94 S ATOM 688 CE MET A 92 15.360 5.515 5.110 1.00 28.69 C ATOM 689 H MET A 92 19.368 4.870 8.548 1.00 0.00 H ATOM 690 N CYS A 93 19.219 3.205 5.570 1.00 21.54 N ATOM 691 CA CYS A 93 19.589 2.669 4.258 1.00 20.73 C ATOM 692 C CYS A 93 20.603 1.543 4.382 1.00 23.66 C ATOM 693 O CYS A 93 20.415 0.493 3.765 1.00 22.39 O ATOM 694 CB CYS A 93 20.090 3.777 3.337 1.00 20.72 C ATOM 695 SG CYS A 93 18.850 5.044 2.969 1.00 24.98 S ATOM 696 H CYS A 93 19.526 4.168 5.814 1.00 0.00 H ATOM 697 N ASP A 94 21.657 1.745 5.206 1.00 20.86 N ATOM 698 CA ASP A 94 22.689 0.736 5.445 1.00 20.74 C ATOM 699 C ASP A 94 22.094 -0.547 6.019 1.00 24.33 C ATOM 700 O ASP A 94 22.513 -1.633 5.614 1.00 23.32 O ATOM 701 CB ASP A 94 23.801 1.281 6.356 1.00 22.59 C ATOM 702 CG ASP A 94 24.760 2.241 5.673 1.00 27.89 C ATOM 703 OD1 ASP A 94 24.724 2.335 4.418 1.00 27.48 O ATOM 704 OD2 ASP A 94 25.550 2.896 6.386 1.00 29.61 O ATOM 705 H ASP A 94 21.737 2.661 5.692 1.00 0.00 H ATOM 706 N ASN A 95 21.086 -0.424 6.915 1.00 21.57 N ATOM 707 CA ASN A 95 20.398 -1.575 7.520 1.00 21.73 C ATOM 708 C ASN A 95 19.708 -2.419 6.458 1.00 24.42 C ATOM 709 O ASN A 95 19.882 -3.639 6.441 1.00 23.25 O ATOM 710 CB ASN A 95 19.387 -1.127 8.581 1.00 23.16 C ATOM 711 CG ASN A 95 20.003 -0.672 9.879 1.00 30.75 C ATOM 712 OD1 ASN A 95 21.168 -0.948 10.191 1.00 24.30 O ATOM 713 ND2 ASN A 95 19.203 0.007 10.689 1.00 25.69 N ATOM 714 HD22 ASN A 95 18.229 0.223 10.397 1.00 0.00 H ATOM 715 HD21 ASN A 95 19.550 0.324 11.617 1.00 0.00 H ATOM 716 H ASN A 95 20.783 0.532 7.189 1.00 0.00 H ATOM 717 N ALA A 96 18.963 -1.758 5.544 1.00 21.09 N ATOM 718 CA ALA A 96 18.265 -2.423 4.447 1.00 20.96 C ATOM 719 C ALA A 96 19.253 -3.108 3.508 1.00 23.08 C ATOM 720 O ALA A 96 18.983 -4.215 3.060 1.00 22.51 O ATOM 721 CB ALA A 96 17.412 -1.426 3.690 1.00 22.26 C ATOM 722 H ALA A 96 18.883 -0.724 5.626 1.00 0.00 H ATOM 723 N MET A 97 20.421 -2.483 3.262 1.00 19.28 N ATOM 724 CA MET A 97 21.447 -3.069 2.401 1.00 18.36 C ATOM 725 C MET A 97 22.207 -4.218 3.081 1.00 21.92 C ATOM 726 O MET A 97 22.734 -5.081 2.388 1.00 21.56 O ATOM 727 CB MET A 97 22.386 -1.999 1.829 1.00 20.04 C ATOM 728 CG MET A 97 21.698 -1.093 0.824 1.00 23.38 C ATOM 729 SD MET A 97 22.840 0.057 0.018 1.00 27.45 S ATOM 730 CE MET A 97 22.979 1.312 1.268 1.00 24.89 C ATOM 731 H MET A 97 20.598 -1.555 3.698 1.00 0.00 H ATOM 732 N THR A 98 22.243 -4.244 4.428 1.00 19.07 N ATOM 733 CA THR A 98 22.887 -5.316 5.193 1.00 19.58 C ATOM 734 C THR A 98 21.977 -6.548 5.257 1.00 23.77 C ATOM 735 O THR A 98 22.443 -7.665 5.019 1.00 22.93 O ATOM 736 CB THR A 98 23.310 -4.798 6.584 1.00 25.85 C ATOM 737 OG1 THR A 98 24.327 -3.815 6.405 1.00 26.00 O ATOM 738 CG2 THR A 98 23.825 -5.904 7.513 1.00 25.34 C ATOM 739 HG1 THR A 98 23.972 -3.070 5.858 1.00 0.00 H ATOM 740 H THR A 98 21.792 -3.466 4.950 1.00 0.00 H ATOM 741 N TYR A 99 20.692 -6.346 5.608 1.00 21.30 N ATOM 742 CA TYR A 99 19.738 -7.442 5.750 1.00 21.90 C ATOM 743 C TYR A 99 19.318 -8.071 4.418 1.00 25.37 C ATOM 744 O TYR A 99 19.261 -9.300 4.311 1.00 25.59 O ATOM 745 CB TYR A 99 18.511 -6.994 6.568 1.00 23.63 C ATOM 746 CG TYR A 99 17.470 -8.078 6.733 1.00 25.83 C ATOM 747 CD1 TYR A 99 17.605 -9.059 7.713 1.00 28.46 C ATOM 748 CD2 TYR A 99 16.365 -8.145 5.890 1.00 27.16 C ATOM 749 CE1 TYR A 99 16.659 -10.073 7.857 1.00 30.13 C ATOM 750 CE2 TYR A 99 15.427 -9.167 6.008 1.00 29.26 C ATOM 751 CZ TYR A 99 15.570 -10.122 7.001 1.00 37.07 C ATOM 752 OH TYR A 99 14.632 -11.118 7.122 1.00 38.58 O ATOM 753 HH TYR A 99 14.879 -11.713 7.874 1.00 0.00 H ATOM 754 H TYR A 99 20.368 -5.374 5.784 1.00 0.00 H ATOM 755 N ASN A 100 18.971 -7.234 3.436 1.00 21.44 N ATOM 756 CA ASN A 100 18.461 -7.675 2.137 1.00 21.21 C ATOM 757 C ASN A 100 19.550 -7.887 1.108 1.00 23.75 C ATOM 758 O ASN A 100 20.468 -7.077 1.022 1.00 22.66 O ATOM 759 CB ASN A 100 17.447 -6.672 1.607 1.00 21.32 C ATOM 760 CG ASN A 100 16.301 -6.442 2.552 1.00 32.19 C ATOM 761 OD1 ASN A 100 15.403 -7.274 2.677 1.00 27.57 O ATOM 762 ND2 ASN A 100 16.329 -5.321 3.260 1.00 25.17 N ATOM 763 HD22 ASN A 100 17.105 -4.641 3.127 1.00 0.00 H ATOM 764 HD21 ASN A 100 15.575 -5.122 3.948 1.00 0.00 H ATOM 765 H ASN A 100 19.069 -6.212 3.604 1.00 0.00 H ATOM 766 N ARG A 101 19.412 -8.939 0.280 1.00 20.78 N ATOM 767 CA ARG A 101 20.372 -9.229 -0.793 1.00 20.12 C ATOM 768 C ARG A 101 20.302 -8.194 -1.934 1.00 23.33 C ATOM 769 O ARG A 101 19.267 -7.541 -2.074 1.00 23.08 O ATOM 770 CB ARG A 101 20.219 -10.666 -1.294 1.00 20.43 C ATOM 771 CG ARG A 101 20.867 -11.640 -0.333 1.00 21.63 C ATOM 772 CD ARG A 101 20.835 -13.043 -0.878 1.00 22.83 C ATOM 773 NE ARG A 101 21.593 -13.950 -0.020 1.00 26.76 N ATOM 774 CZ ARG A 101 21.908 -15.197 -0.352 1.00 33.77 C ATOM 775 NH1 ARG A 101 21.544 -15.689 -1.529 1.00 25.24 N ATOM 776 NH2 ARG A 101 22.609 -15.954 0.481 1.00 26.14 N ATOM 777 HE ARG A 101 21.905 -13.598 0.907 1.00 0.00 H ATOM 778 HH12 ARG A 101 21.793 -16.666 -1.784 1.00 0.00 H ATOM 779 HH11 ARG A 101 21.009 -15.098 -2.197 1.00 0.00 H ATOM 780 HH22 ARG A 101 22.853 -16.930 0.217 1.00 0.00 H ATOM 781 HH21 ARG A 101 22.915 -15.572 1.399 1.00 0.00 H ATOM 782 H ARG A 101 18.595 -9.570 0.405 1.00 0.00 H ATOM 783 N PRO A 102 21.390 -7.997 -2.729 1.00 20.83 N ATOM 784 CA PRO A 102 21.384 -6.927 -3.749 1.00 21.19 C ATOM 785 C PRO A 102 20.319 -6.940 -4.840 1.00 26.27 C ATOM 786 O PRO A 102 20.028 -5.878 -5.395 1.00 27.19 O ATOM 787 CB PRO A 102 22.804 -6.971 -4.324 1.00 23.14 C ATOM 788 CG PRO A 102 23.619 -7.603 -3.261 1.00 25.83 C ATOM 789 CD PRO A 102 22.720 -8.634 -2.659 1.00 22.04 C ATOM 790 N ASP A 103 19.737 -8.107 -5.148 1.00 24.14 N ATOM 791 CA ASP A 103 18.711 -8.208 -6.191 1.00 25.36 C ATOM 792 C ASP A 103 17.275 -8.026 -5.662 1.00 30.44 C ATOM 793 O ASP A 103 16.320 -8.255 -6.405 1.00 32.72 O ATOM 794 CB ASP A 103 18.870 -9.518 -6.994 1.00 27.91 C ATOM 795 CG ASP A 103 18.753 -10.804 -6.190 1.00 32.19 C ATOM 796 OD1 ASP A 103 18.770 -10.733 -4.935 1.00 31.15 O ATOM 797 OD2 ASP A 103 18.714 -11.888 -6.813 1.00 34.59 O ATOM 798 H ASP A 103 20.021 -8.965 -4.633 1.00 0.00 H ATOM 799 N THR A 104 17.126 -7.597 -4.391 1.00 25.95 N ATOM 800 CA THR A 104 15.816 -7.374 -3.762 1.00 26.29 C ATOM 801 C THR A 104 15.344 -5.928 -3.934 1.00 30.44 C ATOM 802 O THR A 104 16.166 -5.019 -4.087 1.00 27.93 O ATOM 803 CB THR A 104 15.845 -7.718 -2.257 1.00 28.81 C ATOM 804 OG1 THR A 104 16.712 -6.807 -1.583 1.00 25.47 O ATOM 805 CG2 THR A 104 16.251 -9.168 -1.970 1.00 27.21 C ATOM 806 HG1 THR A 104 17.625 -6.882 -1.959 1.00 0.00 H ATOM 807 H THR A 104 17.981 -7.415 -3.828 1.00 0.00 H ATOM 808 N VAL A 105 14.016 -5.719 -3.861 1.00 29.72 N ATOM 809 CA VAL A 105 13.376 -4.402 -3.947 1.00 30.35 C ATOM 810 C VAL A 105 13.893 -3.450 -2.839 1.00 31.63 C ATOM 811 O VAL A 105 14.214 -2.298 -3.129 1.00 30.52 O ATOM 812 CB VAL A 105 11.817 -4.517 -3.996 1.00 37.15 C ATOM 813 CG1 VAL A 105 11.246 -5.245 -2.776 1.00 37.36 C ATOM 814 CG2 VAL A 105 11.146 -3.160 -4.189 1.00 37.91 C ATOM 815 H VAL A 105 13.402 -6.549 -3.735 1.00 0.00 H ATOM 816 N TYR A 106 14.024 -3.958 -1.599 1.00 27.44 N ATOM 817 CA TYR A 106 14.460 -3.185 -0.435 1.00 26.25 C ATOM 818 C TYR A 106 15.897 -2.697 -0.522 1.00 28.07 C ATOM 819 O TYR A 106 16.155 -1.541 -0.191 1.00 27.24 O ATOM 820 CB TYR A 106 14.199 -3.946 0.874 1.00 27.83 C ATOM 821 CG TYR A 106 12.833 -4.595 0.931 1.00 31.76 C ATOM 822 CD1 TYR A 106 11.672 -3.827 0.911 1.00 34.93 C ATOM 823 CD2 TYR A 106 12.700 -5.978 1.005 1.00 33.46 C ATOM 824 CE1 TYR A 106 10.411 -4.420 0.945 1.00 37.79 C ATOM 825 CE2 TYR A 106 11.444 -6.583 1.047 1.00 36.30 C ATOM 826 CZ TYR A 106 10.302 -5.799 1.017 1.00 44.70 C ATOM 827 OH TYR A 106 9.059 -6.386 1.060 1.00 47.19 O ATOM 828 HH TYR A 106 8.969 -6.905 1.898 1.00 0.00 H ATOM 829 H TYR A 106 13.801 -4.964 -1.459 1.00 0.00 H ATOM 830 N TYR A 107 16.827 -3.562 -0.975 1.00 23.18 N ATOM 831 CA TYR A 107 18.232 -3.179 -1.138 1.00 20.89 C ATOM 832 C TYR A 107 18.339 -2.093 -2.216 1.00 24.69 C ATOM 833 O TYR A 107 18.956 -1.058 -1.972 1.00 23.37 O ATOM 834 CB TYR A 107 19.074 -4.400 -1.535 1.00 20.87 C ATOM 835 CG TYR A 107 20.550 -4.124 -1.728 1.00 20.94 C ATOM 836 CD1 TYR A 107 21.015 -3.462 -2.865 1.00 23.00 C ATOM 837 CD2 TYR A 107 21.492 -4.627 -0.838 1.00 20.44 C ATOM 838 CE1 TYR A 107 22.376 -3.245 -3.069 1.00 23.90 C ATOM 839 CE2 TYR A 107 22.856 -4.434 -1.042 1.00 21.33 C ATOM 840 CZ TYR A 107 23.294 -3.734 -2.154 1.00 27.37 C ATOM 841 OH TYR A 107 24.640 -3.545 -2.355 1.00 27.32 O ATOM 842 HH TYR A 107 24.779 -3.030 -3.189 1.00 0.00 H ATOM 843 H TYR A 107 16.538 -4.531 -1.216 1.00 0.00 H ATOM 844 N LYS A 108 17.731 -2.332 -3.399 1.00 23.72 N ATOM 845 CA LYS A 108 17.771 -1.404 -4.535 1.00 24.32 C ATOM 846 C LYS A 108 17.217 -0.033 -4.170 1.00 29.09 C ATOM 847 O LYS A 108 17.836 0.978 -4.507 1.00 28.89 O ATOM 848 CB LYS A 108 17.031 -1.977 -5.754 1.00 27.60 C ATOM 849 CG LYS A 108 17.741 -3.150 -6.418 1.00 30.87 C ATOM 850 CD LYS A 108 16.904 -3.687 -7.565 1.00 35.33 C ATOM 851 CE LYS A 108 17.483 -4.938 -8.165 1.00 43.40 C ATOM 852 NZ LYS A 108 16.586 -5.501 -9.208 1.00 53.68 N ATOM 853 HZ1 LYS A 108 15.665 -5.732 -8.784 1.00 0.00 H ATOM 854 HZ2 LYS A 108 16.454 -4.800 -9.965 1.00 0.00 H ATOM 855 HZ3 LYS A 108 17.013 -6.363 -9.603 1.00 0.00 H ATOM 856 H LYS A 108 17.206 -3.223 -3.510 1.00 0.00 H ATOM 857 N LEU A 109 16.076 -0.001 -3.454 1.00 26.86 N ATOM 858 CA LEU A 109 15.448 1.250 -3.027 1.00 27.50 C ATOM 859 C LEU A 109 16.317 1.988 -2.009 1.00 28.83 C ATOM 860 O LEU A 109 16.498 3.196 -2.147 1.00 28.21 O ATOM 861 CB LEU A 109 14.020 1.019 -2.500 1.00 28.88 C ATOM 862 CG LEU A 109 13.183 2.279 -2.189 1.00 34.46 C ATOM 863 CD1 LEU A 109 12.971 3.148 -3.430 1.00 35.84 C ATOM 864 CD2 LEU A 109 11.854 1.903 -1.581 1.00 38.69 C ATOM 865 H LEU A 109 15.624 -0.901 -3.195 1.00 0.00 H ATOM 866 N ALA A 110 16.900 1.258 -1.029 1.00 24.20 N ATOM 867 CA ALA A 110 17.793 1.839 -0.024 1.00 22.87 C ATOM 868 C ALA A 110 19.006 2.508 -0.677 1.00 25.94 C ATOM 869 O ALA A 110 19.353 3.621 -0.286 1.00 24.97 O ATOM 870 CB ALA A 110 18.258 0.771 0.954 1.00 22.77 C ATOM 871 H ALA A 110 16.705 0.237 -0.988 1.00 0.00 H ATOM 872 N LYS A 111 19.628 1.845 -1.679 1.00 23.80 N ATOM 873 CA LYS A 111 20.802 2.357 -2.396 1.00 23.89 C ATOM 874 C LYS A 111 20.455 3.635 -3.164 1.00 29.04 C ATOM 875 O LYS A 111 21.207 4.608 -3.093 1.00 28.33 O ATOM 876 CB LYS A 111 21.375 1.284 -3.342 1.00 27.01 C ATOM 877 CG LYS A 111 22.741 1.635 -3.926 1.00 34.51 C ATOM 878 CD LYS A 111 23.331 0.470 -4.705 1.00 41.33 C ATOM 879 CE LYS A 111 24.787 0.684 -5.042 1.00 52.37 C ATOM 880 NZ LYS A 111 24.968 1.602 -6.195 1.00 64.62 N ATOM 881 HZ1 LYS A 111 24.498 1.202 -7.032 1.00 0.00 H ATOM 882 HZ2 LYS A 111 24.549 2.527 -5.969 1.00 0.00 H ATOM 883 HZ3 LYS A 111 25.983 1.718 -6.388 1.00 0.00 H ATOM 884 H LYS A 111 19.252 0.917 -1.958 1.00 0.00 H ATOM 885 N LYS A 112 19.302 3.628 -3.867 1.00 27.18 N ATOM 886 CA LYS A 112 18.800 4.750 -4.663 1.00 28.21 C ATOM 887 C LYS A 112 18.516 5.962 -3.778 1.00 31.41 C ATOM 888 O LYS A 112 18.988 7.061 -4.085 1.00 31.18 O ATOM 889 CB LYS A 112 17.531 4.337 -5.431 1.00 32.33 C ATOM 890 CG LYS A 112 17.079 5.345 -6.486 1.00 44.47 C ATOM 891 CD LYS A 112 15.728 4.969 -7.065 1.00 56.48 C ATOM 892 CE LYS A 112 15.196 6.010 -8.017 1.00 69.31 C ATOM 893 NZ LYS A 112 13.849 5.648 -8.529 1.00 80.40 N ATOM 894 HZ1 LYS A 112 13.904 4.740 -9.033 1.00 0.00 H ATOM 895 HZ2 LYS A 112 13.187 5.564 -7.731 1.00 0.00 H ATOM 896 HZ3 LYS A 112 13.517 6.388 -9.180 1.00 0.00 H ATOM 897 H LYS A 112 18.728 2.761 -3.841 1.00 0.00 H ATOM 898 N ILE A 113 17.759 5.757 -2.684 1.00 28.00 N ATOM 899 CA ILE A 113 17.393 6.827 -1.757 1.00 27.89 C ATOM 900 C ILE A 113 18.573 7.388 -0.969 1.00 29.14 C ATOM 901 O ILE A 113 18.624 8.601 -0.759 1.00 28.44 O ATOM 902 CB ILE A 113 16.104 6.570 -0.930 1.00 31.94 C ATOM 903 CG1 ILE A 113 16.322 5.571 0.221 1.00 31.88 C ATOM 904 CG2 ILE A 113 14.933 6.169 -1.847 1.00 34.81 C ATOM 905 CD1 ILE A 113 15.228 5.580 1.305 1.00 40.79 C ATOM 906 H ILE A 113 17.419 4.794 -2.489 1.00 0.00 H ATOM 907 N LEU A 114 19.554 6.526 -0.598 1.00 24.32 N ATOM 908 CA LEU A 114 20.762 6.972 0.102 1.00 22.89 C ATOM 909 C LEU A 114 21.537 7.973 -0.769 1.00 27.34 C ATOM 910 O LEU A 114 21.916 9.043 -0.285 1.00 26.38 O ATOM 911 CB LEU A 114 21.667 5.779 0.482 1.00 21.97 C ATOM 912 CG LEU A 114 22.989 6.136 1.192 1.00 25.66 C ATOM 913 CD1 LEU A 114 22.742 6.838 2.523 1.00 26.05 C ATOM 914 CD2 LEU A 114 23.844 4.914 1.402 1.00 25.64 C ATOM 915 H LEU A 114 19.445 5.515 -0.818 1.00 0.00 H ATOM 916 N HIS A 115 21.743 7.622 -2.054 1.00 25.60 N ATOM 917 CA HIS A 115 22.440 8.444 -3.045 1.00 26.78 C ATOM 918 C HIS A 115 21.696 9.775 -3.243 1.00 31.97 C ATOM 919 O HIS A 115 22.303 10.842 -3.116 1.00 31.64 O ATOM 920 CB HIS A 115 22.561 7.667 -4.373 1.00 28.71 C ATOM 921 CG HIS A 115 23.430 8.327 -5.396 1.00 33.72 C ATOM 922 ND1 HIS A 115 22.940 9.318 -6.224 1.00 36.91 N ATOM 923 CD2 HIS A 115 24.723 8.088 -5.716 1.00 36.36 C ATOM 924 CE1 HIS A 115 23.953 9.671 -7.000 1.00 37.37 C ATOM 925 NE2 HIS A 115 25.045 8.956 -6.733 1.00 37.48 N ATOM 926 H HIS A 115 21.380 6.698 -2.365 1.00 0.00 H ATOM 927 N ALA A 116 20.376 9.703 -3.490 1.00 29.53 N ATOM 928 CA ALA A 116 19.510 10.865 -3.688 1.00 30.79 C ATOM 929 C ALA A 116 19.487 11.797 -2.469 1.00 33.58 C ATOM 930 O ALA A 116 19.588 13.012 -2.634 1.00 34.02 O ATOM 931 CB ALA A 116 18.103 10.413 -4.036 1.00 32.45 C ATOM 932 H ALA A 116 19.943 8.759 -3.544 1.00 0.00 H ATOM 933 N GLY A 117 19.398 11.213 -1.271 1.00 28.33 N ATOM 934 CA GLY A 117 19.374 11.938 -0.004 1.00 27.62 C ATOM 935 C GLY A 117 20.662 12.673 0.299 1.00 30.23 C ATOM 936 O GLY A 117 20.627 13.823 0.744 1.00 29.73 O ATOM 937 H GLY A 117 19.342 10.175 -1.239 1.00 0.00 H ATOM 938 N PHE A 118 21.813 12.023 0.027 1.00 26.18 N ATOM 939 CA PHE A 118 23.119 12.644 0.247 1.00 26.35 C ATOM 940 C PHE A 118 23.466 13.731 -0.763 1.00 32.47 C ATOM 941 O PHE A 118 24.325 14.563 -0.480 1.00 33.61 O ATOM 942 CB PHE A 118 24.235 11.605 0.459 1.00 27.96 C ATOM 943 CG PHE A 118 24.397 11.263 1.924 1.00 29.48 C ATOM 944 CD1 PHE A 118 23.447 10.489 2.586 1.00 32.44 C ATOM 945 CD2 PHE A 118 25.482 11.738 2.649 1.00 32.31 C ATOM 946 CE1 PHE A 118 23.587 10.190 3.945 1.00 33.30 C ATOM 947 CE2 PHE A 118 25.624 11.433 4.009 1.00 35.16 C ATOM 948 CZ PHE A 118 24.675 10.662 4.647 1.00 32.66 C ATOM 949 H PHE A 118 21.770 11.054 -0.349 1.00 0.00 H ATOM 950 N LYS A 119 22.762 13.754 -1.883 1.00 28.79 N ATOM 951 CA LYS A 119 22.889 14.832 -2.852 1.00 29.23 C ATOM 952 C LYS A 119 22.072 16.042 -2.420 1.00 33.05 C ATOM 953 O LYS A 119 22.495 17.151 -2.530 1.00 32.99 O ATOM 954 CB LYS A 119 22.464 14.387 -4.242 1.00 20.00 C ATOM 955 CG LYS A 119 23.460 13.444 -4.884 1.00 20.00 C ATOM 956 CD LYS A 119 23.287 13.269 -6.368 1.00 20.00 C ATOM 957 CE LYS A 119 24.633 12.952 -7.004 1.00 20.00 C ATOM 958 NZ LYS A 119 24.903 13.696 -8.274 1.00 20.00 N ATOM 959 HZ1 LYS A 119 24.171 13.461 -8.975 1.00 0.00 H ATOM 960 HZ2 LYS A 119 24.888 14.719 -8.085 1.00 0.00 H ATOM 961 HZ3 LYS A 119 25.837 13.424 -8.642 1.00 0.00 H ATOM 962 H LYS A 119 22.097 12.978 -2.077 1.00 0.00 H ATOM 963 N MET A 120 20.891 15.763 -1.930 1.00 29.88 N ATOM 964 CA MET A 120 19.957 16.779 -1.428 1.00 30.13 C ATOM 965 C MET A 120 20.522 17.495 -0.190 1.00 33.00 C ATOM 966 O MET A 120 20.370 18.711 -0.055 1.00 33.99 O ATOM 967 CB MET A 120 18.604 16.119 -1.104 1.00 32.42 C ATOM 968 CG MET A 120 17.558 17.084 -0.561 1.00 36.85 C ATOM 969 SD MET A 120 16.046 16.258 -0.027 1.00 41.42 S ATOM 970 CE MET A 120 16.579 15.524 1.447 1.00 36.95 C ATOM 971 H MET A 120 20.597 14.766 -1.894 1.00 0.00 H ATOM 972 N MET A 121 21.163 16.732 0.704 1.00 28.07 N ATOM 973 CA MET A 121 21.733 17.242 1.949 1.00 27.27 C ATOM 974 C MET A 121 23.262 17.281 1.872 1.00 30.46 C ATOM 975 O MET A 121 23.937 17.117 2.888 1.00 29.97 O ATOM 976 CB MET A 121 21.239 16.399 3.141 1.00 28.68 C ATOM 977 CG MET A 121 19.723 16.342 3.246 1.00 31.81 C ATOM 978 SD MET A 121 19.095 15.300 4.580 1.00 34.54 S ATOM 979 CE MET A 121 19.492 13.641 3.957 1.00 30.56 C ATOM 980 H MET A 121 21.261 15.717 0.500 1.00 0.00 H ATOM 981 N SER A 122 23.807 17.528 0.665 1.00 27.91 N ATOM 982 CA SER A 122 25.256 17.584 0.431 1.00 27.96 C ATOM 983 C SER A 122 25.892 18.780 1.125 1.00 32.69 C ATOM 984 O SER A 122 25.195 19.755 1.418 1.00 32.28 O ATOM 985 CB SER A 122 25.555 17.646 -1.066 1.00 30.56 C ATOM 986 OG SER A 122 25.159 18.885 -1.633 1.00 35.93 O ATOM 987 HG SER A 122 25.369 18.886 -2.601 1.00 0.00 H ATOM 988 H SER A 122 23.170 17.687 -0.141 1.00 0.00 H ATOM 989 N LYS A 123 27.222 18.720 1.358 1.00 30.56 N ATOM 990 CA LYS A 123 27.974 19.829 1.963 1.00 31.59 C ATOM 991 C LYS A 123 27.821 21.098 1.120 1.00 35.89 C ATOM 992 O LYS A 123 27.693 22.188 1.681 1.00 34.09 O ATOM 993 CB LYS A 123 29.452 19.458 2.148 1.00 35.11 C ATOM 994 CG LYS A 123 29.697 18.548 3.344 1.00 50.69 C ATOM 995 H LYS A 123 27.735 17.853 1.098 1.00 0.00 H ATOM 996 N GLU A 124 27.772 20.940 -0.225 1.00 33.37 N ATOM 997 CA GLU A 124 27.569 22.031 -1.184 1.00 34.40 C ATOM 998 C GLU A 124 26.213 22.716 -0.945 1.00 36.55 C ATOM 999 O GLU A 124 26.161 23.940 -0.823 1.00 35.49 O ATOM 1000 CB GLU A 124 27.664 21.499 -2.627 1.00 36.47 C ATOM 1001 CG GLU A 124 27.479 22.557 -3.705 1.00 50.60 C ATOM 1002 CD GLU A 124 27.302 22.020 -5.113 1.00 80.18 C ATOM 1003 OE1 GLU A 124 28.099 22.409 -5.997 1.00 80.06 O ATOM 1004 OE2 GLU A 124 26.360 21.226 -5.340 1.00 77.23 O ATOM 1005 H GLU A 124 27.886 19.978 -0.604 1.00 0.00 H ATOM 1006 N ARG A 125 25.133 21.916 -0.863 1.00 32.30 N ATOM 1007 CA ARG A 125 23.777 22.416 -0.642 1.00 32.33 C ATOM 1008 C ARG A 125 23.609 23.026 0.751 1.00 35.47 C ATOM 1009 O ARG A 125 22.934 24.047 0.889 1.00 35.72 O ATOM 1010 CB ARG A 125 22.731 21.330 -0.943 1.00 32.59 C ATOM 1011 CG ARG A 125 22.610 21.040 -2.437 1.00 43.50 C ATOM 1012 CD ARG A 125 21.308 20.359 -2.801 1.00 56.46 C ATOM 1013 NE ARG A 125 21.205 20.124 -4.242 1.00 68.79 N ATOM 1014 CZ ARG A 125 20.656 20.973 -5.107 1.00 86.46 C ATOM 1015 NH1 ARG A 125 20.150 22.128 -4.687 1.00 74.15 N ATOM 1016 NH2 ARG A 125 20.611 20.675 -6.398 1.00 75.20 N ATOM 1017 HE ARG A 125 21.587 19.232 -4.616 1.00 0.00 H ATOM 1018 HH12 ARG A 125 19.722 22.787 -5.369 1.00 0.00 H ATOM 1019 HH11 ARG A 125 20.182 22.373 -3.677 1.00 0.00 H ATOM 1020 HH22 ARG A 125 20.181 21.341 -7.071 1.00 0.00 H ATOM 1021 HH21 ARG A 125 21.006 19.775 -6.738 1.00 0.00 H ATOM 1022 H ARG A 125 25.270 20.890 -0.962 1.00 0.00 H ATOM 1023 N LEU A 126 24.277 22.446 1.766 1.00 31.57 N ATOM 1024 CA LEU A 126 24.224 22.969 3.134 1.00 31.97 C ATOM 1025 C LEU A 126 25.002 24.278 3.280 1.00 36.17 C ATOM 1026 O LEU A 126 24.568 25.155 4.031 1.00 34.43 O ATOM 1027 CB LEU A 126 24.663 21.929 4.174 1.00 31.56 C ATOM 1028 CG LEU A 126 23.746 20.711 4.332 1.00 35.25 C ATOM 1029 CD1 LEU A 126 24.454 19.594 5.066 1.00 35.21 C ATOM 1030 CD2 LEU A 126 22.423 21.072 5.004 1.00 38.12 C ATOM 1031 H LEU A 126 24.849 21.599 1.573 1.00 0.00 H ATOM 1032 N LEU A 127 26.129 24.425 2.543 1.00 33.74 N ATOM 1033 CA LEU A 127 26.916 25.665 2.545 1.00 35.12 C ATOM 1034 C LEU A 127 26.106 26.809 1.913 1.00 38.72 C ATOM 1035 O LEU A 127 26.126 27.926 2.438 1.00 38.15 O ATOM 1036 CB LEU A 127 28.268 25.476 1.819 1.00 36.28 C ATOM 1037 CG LEU A 127 29.155 26.726 1.643 1.00 43.94 C ATOM 1038 CD1 LEU A 127 29.736 27.201 2.975 1.00 45.69 C ATOM 1039 CD2 LEU A 127 30.276 26.460 0.660 1.00 47.18 C ATOM 1040 H LEU A 127 26.449 23.630 1.954 1.00 0.00 H ATOM 1041 N ALA A 128 25.378 26.524 0.807 1.00 35.42 N ATOM 1042 CA ALA A 128 24.525 27.509 0.124 1.00 36.27 C ATOM 1043 C ALA A 128 23.402 27.984 1.051 1.00 40.18 C ATOM 1044 O ALA A 128 23.085 29.172 1.065 1.00 40.42 O ATOM 1045 CB ALA A 128 23.941 26.916 -1.150 1.00 36.84 C ATOM 1046 H ALA A 128 25.424 25.559 0.421 1.00 0.00 H ATOM 1047 N LEU A 129 22.842 27.063 1.858 1.00 35.97 N ATOM 1048 CA LEU A 129 21.793 27.367 2.829 1.00 35.75 C ATOM 1049 C LEU A 129 22.362 28.200 3.993 1.00 39.91 C ATOM 1050 O LEU A 129 21.721 29.166 4.417 1.00 39.25 O ATOM 1051 CB LEU A 129 21.132 26.064 3.321 1.00 34.85 C ATOM 1052 CG LEU A 129 20.052 26.174 4.407 1.00 39.85 C ATOM 1053 CD1 LEU A 129 18.848 27.012 3.951 1.00 40.76 C ATOM 1054 CD2 LEU A 129 19.623 24.805 4.884 1.00 41.54 C ATOM 1055 H LEU A 129 23.175 26.080 1.786 1.00 0.00 H ATOM 1056 N LYS A 130 23.571 27.835 4.488 1.00 37.06 N ATOM 1057 CA LYS A 130 24.274 28.552 5.561 1.00 37.96 C ATOM 1058 C LYS A 130 24.594 29.987 5.131 1.00 42.92 C ATOM 1059 O LYS A 130 24.417 30.918 5.926 1.00 42.91 O ATOM 1060 CB LYS A 130 25.566 27.821 5.956 1.00 40.66 C ATOM 1061 CG LYS A 130 25.366 26.701 6.966 1.00 54.92 C ATOM 1062 CD LYS A 130 26.691 26.266 7.584 1.00 65.94 C ATOM 1063 CE LYS A 130 27.248 25.002 6.975 1.00 76.08 C ATOM 1064 NZ LYS A 130 28.505 24.581 7.647 1.00 86.28 N ATOM 1065 HZ1 LYS A 130 29.216 25.334 7.552 1.00 0.00 H ATOM 1066 HZ2 LYS A 130 28.316 24.406 8.655 1.00 0.00 H ATOM 1067 HZ3 LYS A 130 28.859 23.710 7.203 1.00 0.00 H ATOM 1068 H LYS A 130 24.030 26.994 4.082 1.00 0.00 H ATOM 1069 N ARG A 131 25.034 30.167 3.862 1.00 39.62 N ATOM 1070 CA ARG A 131 25.349 31.483 3.288 1.00 40.92 C ATOM 1071 C ARG A 131 24.099 32.358 3.163 1.00 44.97 C ATOM 1072 O ARG A 131 24.184 33.573 3.354 1.00 45.63 O ATOM 1073 CB ARG A 131 26.067 31.341 1.937 1.00 41.64 C ATOM 1074 CG ARG A 131 27.545 31.007 2.084 1.00 53.26 C ATOM 1075 CD ARG A 131 28.212 30.759 0.748 1.00 64.40 C ATOM 1076 NE ARG A 131 29.640 30.482 0.904 1.00 75.57 N ATOM 1077 CZ ARG A 131 30.439 30.063 -0.072 1.00 90.88 C ATOM 1078 NH1 ARG A 131 29.957 29.857 -1.293 1.00 77.45 N ATOM 1079 NH2 ARG A 131 31.724 29.839 0.165 1.00 79.47 N ATOM 1080 HE ARG A 131 30.060 30.623 1.845 1.00 0.00 H ATOM 1081 HH12 ARG A 131 30.587 29.529 -2.052 1.00 0.00 H ATOM 1082 HH11 ARG A 131 28.949 30.024 -1.489 1.00 0.00 H ATOM 1083 HH22 ARG A 131 32.345 29.511 -0.602 1.00 0.00 H ATOM 1084 HH21 ARG A 131 32.111 29.991 1.118 1.00 0.00 H ATOM 1085 H ARG A 131 25.156 29.327 3.261 1.00 0.00 H ATOM 1086 N SER A 132 22.934 31.736 2.892 1.00 40.62 N ATOM 1087 CA SER A 132 21.656 32.449 2.793 1.00 40.95 C ATOM 1088 C SER A 132 21.088 32.827 4.177 1.00 45.62 C ATOM 1089 O SER A 132 20.142 33.610 4.249 1.00 45.68 O ATOM 1090 CB SER A 132 20.645 31.643 1.981 1.00 44.32 C ATOM 1091 OG SER A 132 20.231 30.472 2.664 1.00 53.21 O ATOM 1092 HG SER A 132 21.018 29.897 2.838 1.00 0.00 H ATOM 1093 H SER A 132 22.942 30.706 2.747 1.00 0.00 H ATOM 1094 N MET A 133 21.667 32.286 5.269 1.00 42.66 N ATOM 1095 CA MET A 133 21.250 32.591 6.645 1.00 43.89 C ATOM 1096 C MET A 133 21.968 33.835 7.195 1.00 50.04 C ATOM 1097 O MET A 133 21.675 34.264 8.313 1.00 51.03 O ATOM 1098 CB MET A 133 21.475 31.387 7.572 1.00 45.89 C ATOM 1099 CG MET A 133 20.459 30.294 7.403 1.00 48.97 C ATOM 1100 SD MET A 133 20.990 28.789 8.249 1.00 53.18 S ATOM 1101 CE MET A 133 19.735 27.671 7.707 1.00 48.78 C ATOM 1102 H MET A 133 22.451 31.617 5.130 1.00 0.00 H ATOM 1103 N SER A 134 22.896 34.415 6.406 1.00 47.31 N ATOM 1104 CA SER A 134 23.659 35.607 6.785 1.00 72.90 C ATOM 1105 C SER A 134 22.794 36.866 6.733 1.00 90.35 C ATOM 1106 O SER A 134 21.773 36.891 6.047 1.00 45.04 O ATOM 1107 CB SER A 134 24.883 35.769 5.889 1.00 76.76 C ATOM 1108 OG SER A 134 24.516 35.964 4.533 1.00 85.11 O ATOM 1109 HG SER A 134 23.998 35.182 4.217 1.00 0.00 H ATOM 1110 H SER A 134 23.081 33.991 5.474 1.00 0.00 H TER 1111 SER A 134 HETATM 1112 O HOH 1 13.358 -2.955 13.404 1.00 44.90 O HETATM 1113 O HOH 2 25.516 -2.495 -4.594 1.00 37.22 O HETATM 1114 O HOH 3 18.414 -14.368 -5.930 1.00 35.40 O HETATM 1115 O HOH 4 15.945 -2.716 6.626 1.00 24.88 O HETATM 1116 O HOH 5 22.019 10.386 14.410 1.00 44.47 O HETATM 1117 O HOH 6 26.116 14.102 17.380 1.00 47.01 O HETATM 1118 O HOH 7 25.544 19.847 10.205 1.00 30.00 O HETATM 1119 O HOH 8 11.025 0.089 7.210 1.00 33.34 O HETATM 1120 O HOH 9 4.426 -6.769 11.970 1.00 47.67 O HETATM 1121 O HOH 10 24.183 -10.422 14.448 1.00 32.90 O HETATM 1122 O HOH 11 18.739 2.552 16.192 1.00 43.30 O HETATM 1123 O HOH 12 14.913 -9.625 1.477 1.00 31.86 O HETATM 1124 O HOH 13 11.234 10.274 19.424 1.00 51.88 O HETATM 1125 O HOH 14 22.558 7.635 13.834 1.00 43.28 O HETATM 1126 O HOH 15 19.317 8.030 -6.571 1.00 41.61 O HETATM 1127 O HOH 16 19.499 0.886 -6.626 1.00 34.92 O HETATM 1128 O HOH 17 17.248 -12.330 -3.383 1.00 39.33 O HETATM 1129 O HOH 18 18.871 14.516 -4.757 1.00 41.18 O HETATM 1130 O HOH 19 23.490 30.905 -0.964 1.00 45.48 O HETATM 1131 O HOH 20 24.873 6.181 10.122 1.00 32.53 O HETATM 1132 O HOH 21 24.792 -8.038 13.246 1.00 34.68 O HETATM 1133 O HOH 22 26.489 17.069 14.735 1.00 45.89 O HETATM 1134 O HOH 23 6.349 -1.471 12.378 1.00 51.38 O HETATM 1135 O HOH 24 9.013 22.279 6.350 1.00 44.64 O HETATM 1136 O HOH 25 8.959 -8.771 2.325 1.00 47.31 O HETATM 1137 O HOH 26 13.213 1.295 13.119 1.00 37.54 O HETATM 1138 O HOH 27 21.535 -3.940 -6.527 1.00 29.07 O HETATM 1139 O HOH 28 10.526 -9.115 4.551 1.00 47.17 O HETATM 1140 O HOH 29 16.176 -0.563 10.147 1.00 28.58 O HETATM 1141 O HOH 30 7.778 6.222 3.288 1.00 45.27 O HETATM 1142 O HOH 31 26.002 12.391 8.920 1.00 31.00 O HETATM 1143 O HOH 32 8.445 2.702 -2.273 1.00 42.89 O HETATM 1144 O HOH 33 12.650 -6.531 14.085 1.00 38.33 O HETATM 1145 O HOH 34 11.933 13.607 -3.807 1.00 51.70 O HETATM 1146 O HOH 35 7.240 13.164 5.762 1.00 59.66 O HETATM 1147 O HOH 36 15.948 -0.021 7.219 1.00 27.08 O HETATM 1148 O HOH 37 18.286 -11.640 3.307 1.00 40.81 O HETATM 1149 O HOH 38 22.800 15.437 20.121 1.00 52.87 O HETATM 1150 O HOH 39 6.487 12.989 1.652 1.00 50.49 O HETATM 1151 O HOH 40 16.817 -4.644 16.365 1.00 43.51 O HETATM 1152 O HOH 41 18.015 -6.490 17.904 1.00 56.20 O HETATM 1153 O HOH 42 21.282 -11.723 -4.467 1.00 25.67 O HETATM 1154 O HOH 43 9.667 -14.108 12.642 1.00 67.63 O HETATM 1155 O HOH 44 20.540 24.596 -0.333 1.00 49.16 O HETATM 1156 O HOH 45 26.639 -5.412 -2.130 1.00 26.41 O HETATM 1157 O HOH 46 16.895 -11.673 17.674 1.00 44.82 O HETATM 1158 O HOH 47 18.496 20.544 -0.879 1.00 41.52 O HETATM 1159 O HOH 48 25.116 -8.355 4.995 1.00 30.00 O HETATM 1160 O HOH 49 27.707 14.756 3.439 1.00 38.38 O HETATM 1161 O HOH 50 25.153 3.619 9.031 1.00 34.02 O HETATM 1162 O HOH 51 7.639 12.798 18.712 1.00 51.02 O HETATM 1163 O HOH 52 24.554 18.236 -4.265 1.00 39.02 O HETATM 1164 O HOH 53 23.808 -0.801 9.305 1.00 43.00 O HETATM 1165 O HOH 54 8.877 20.774 1.396 1.00 45.02 O HETATM 1166 O HOH 55 15.702 20.472 -0.852 1.00 43.97 O HETATM 1167 O HOH 56 9.817 -7.887 15.860 1.00 51.18 O HETATM 1168 O HOH 57 28.498 5.923 8.189 1.00 40.94 O HETATM 1169 O HOH 58 12.343 -14.286 13.187 1.00 49.86 O HETATM 1170 O HOH 59 27.559 25.932 -2.228 1.00 45.90 O HETATM 1171 O HOH 60 26.585 17.295 7.098 1.00 43.44 O HETATM 1172 O HOH 61 22.224 -1.722 12.687 1.00 27.07 O HETATM 1173 O HOH 62 13.437 -0.825 11.339 1.00 35.95 O HETATM 1174 O HOH 63 26.867 3.437 2.947 1.00 34.11 O HETATM 1175 O HOH 64 27.724 1.868 -6.788 1.00 63.61 O HETATM 1176 O HOH 65 13.390 -1.120 -5.570 1.00 34.92 O HETATM 1177 O HOH 66 6.332 7.278 8.249 1.00 49.15 O HETATM 1178 O HOH 67 13.523 1.123 7.591 1.00 30.69 O HETATM 1179 O HOH 68 29.976 3.808 4.875 1.00 62.50 O HETATM 1180 O HOH 69 27.691 1.237 7.269 1.00 56.98 O HETATM 1181 O HOH 70 16.686 -8.336 -9.503 1.00 30.00 O HETATM 1182 O HOH 71 13.592 -7.698 -7.061 1.00 52.85 O HETATM 1183 O HOH 72 19.872 6.971 16.339 1.00 49.28 O HETATM 1184 O HOH 73 15.448 10.855 -6.189 1.00 58.10 O HETATM 1185 O HOH 74 17.314 -10.885 0.858 1.00 26.76 O HETATM 1186 O HOH 75 25.805 0.043 2.950 1.00 58.61 O HETATM 1187 O HOH 76 5.727 9.827 -4.342 1.00 60.87 O HETATM 1188 O HOH 77 15.314 18.508 15.857 1.00 50.10 O HETATM 1189 O HOH 78 16.766 -3.287 -11.183 1.00 43.52 O HETATM 1190 O HOH 79 27.280 28.637 -1.749 1.00 55.55 O HETATM 1191 O HOH 80 12.991 3.054 -7.334 1.00 62.01 O HETATM 1192 O HOH 81 23.608 -4.117 13.149 1.00 36.86 O HETATM 1193 O HOH 82 24.451 -14.927 2.609 1.00 38.27 O HETATM 1194 O HOH 83 7.285 -9.109 14.895 1.00 62.28 O HETATM 1195 O HOH 84 28.941 18.451 -1.449 1.00 36.30 O HETATM 1196 O HOH 85 19.158 22.927 -1.956 1.00 43.66 O HETATM 1197 O HOH 86 7.347 0.213 6.813 1.00 44.03 O HETATM 1198 O HOH 87 7.001 18.498 0.617 1.00 61.17 O HETATM 1199 O HOH 88 28.585 16.039 0.890 1.00 27.00 O HETATM 1200 O HOH 89 7.343 -1.946 8.538 1.00 46.53 O HETATM 1201 O HOH 90 15.956 -12.231 -8.071 1.00 56.61 O HETATM 1202 O HOH 91 5.257 26.870 13.948 1.00 73.99 O HETATM 1203 O HOH 92 12.542 -8.378 -3.489 1.00 40.09 O HETATM 1204 O HOH 93 32.148 27.642 -1.984 1.00 66.64 O HETATM 1205 O HOH 94 22.980 -12.804 2.516 1.00 40.37 O HETATM 1206 O HOH 95 7.574 4.639 13.486 1.00 69.06 O HETATM 1207 O HOH 96 27.418 14.006 -0.491 1.00 52.08 O HETATM 1208 O HOH 97 17.238 23.333 -4.698 1.00 66.41 O HETATM 1209 O HOH 98 20.398 -13.272 2.940 1.00 54.03 O HETATM 1210 O HOH 99 19.449 -7.140 20.122 1.00 59.44 O HETATM 1211 O HOH 100 27.174 -5.540 6.326 1.00 60.10 O HETATM 1212 O HOH 101 29.990 33.290 -0.869 1.00 64.35 O HETATM 1213 O HOH 102 27.341 14.290 7.138 1.00 47.66 O HETATM 1214 O HOH 103 21.327 24.942 -3.163 1.00 65.95 O HETATM 1215 O HOH 104 18.793 -14.468 11.137 1.00 59.39 O HETATM 1216 O HOH 105 14.785 1.179 -6.452 1.00 41.24 O HETATM 1217 O HOH 106 25.116 4.912 -5.144 1.00 51.49 O HETATM 1218 O HOH 107 24.176 35.493 0.432 1.00 67.10 O HETATM 1219 O HOH 108 19.566 17.137 -5.055 1.00 55.92 O HETATM 1220 O HOH 109 18.024 -15.104 -1.733 1.00 45.61 O HETATM 1221 O HOH 110 21.700 -11.061 6.282 1.00 55.79 O HETATM 1222 O HOH 111 27.782 -2.451 17.073 1.00 60.47 O HETATM 1223 O HOH 112 9.766 2.289 -4.850 1.00 41.13 O HETATM 1224 O HOH 113 22.444 4.667 -6.535 1.00 48.95 O HETATM 1225 O HOH 114 7.732 -13.683 6.389 1.00 65.86 O HETATM 1226 O HOH 115 26.743 -1.063 6.156 1.00 58.07 O HETATM 1227 O HOH 116 7.306 -12.495 15.202 1.00 58.22 O HETATM 1228 O HOH 117 22.416 4.106 16.789 1.00 54.34 O HETATM 1229 O HOH 118 19.176 1.337 18.620 1.00 61.93 O HETATM 1230 O HOH 119 14.500 -4.809 15.020 1.00 54.17 O HETATM 1231 O HOH 120 27.762 12.054 10.731 1.00 30.00 O HETATM 1232 O HOH 121 16.832 1.104 -8.284 1.00 65.86 O HETATM 1233 O HOH 122 21.093 -4.983 -9.062 1.00 52.30 O HETATM 1234 O HOH 123 26.257 10.082 7.615 1.00 30.45 O HETATM 1235 O HOH 124 24.343 -4.040 -6.366 1.00 33.67 O HETATM 1236 O HOH 125 18.824 -15.464 2.596 1.00 64.33 O HETATM 1237 O HOH 126 27.048 -0.867 -8.729 1.00 46.08 O HETATM 1238 O HOH 127 13.103 -11.116 3.303 1.00 69.83 O HETATM 1239 O HOH 128 25.524 1.083 10.093 1.00 45.73 O HETATM 1240 O HOH 129 14.544 -11.606 -4.702 1.00 56.61 O HETATM 1241 O HOH 130 12.748 0.919 15.746 1.00 49.43 O HETATM 1242 O HOH 131 24.705 10.724 14.721 1.00 53.92 O HETATM 1243 O HOH 132 15.675 -14.571 15.092 1.00 70.13 O HETATM 1244 O HOH 133 17.804 -17.719 -0.833 1.00 42.34 O HETATM 1245 O HOH 134 4.185 -3.363 11.493 1.00 63.80 O HETATM 1246 O HOH 135 28.897 13.087 4.885 1.00 30.00 O HETATM 1247 O HOH 136 24.870 0.026 12.841 1.00 58.69 O HETATM 1248 O HOH 137 26.938 7.971 9.361 1.00 32.87 O HETATM 1249 O HOH 138 13.330 -2.753 -7.766 1.00 41.29 O HETATM 1250 O HOH 139 30.073 25.446 -3.116 1.00 57.42 O HETATM 1251 O HOH 140 29.084 -0.521 -6.521 1.00 56.82 O HETATM 1252 O HOH 141 27.866 34.780 0.023 1.00 70.91 O HETATM 1253 O HOH 142 2.822 4.579 4.553 1.00 74.28 O HETATM 1254 O HOH 143 21.105 -1.376 -7.167 1.00 45.17 O HETATM 1255 O HOH 144 10.967 0.023 -5.850 1.00 46.53 O HETATM 1256 O HOH 145 16.766 -12.830 -0.860 1.00 36.56 O HETATM 1257 O HOH 146 12.991 -9.872 -0.708 1.00 42.63 O HETATM 1258 O HOH 147 32.523 21.119 4.086 1.00 57.31 O HETATM 1259 N1 UNN A 148 3.837 -4.350 3.336 1.00 -0.30 N HETATM 1260 C13 UNN A 148 4.457 -4.239 4.513 1.00 0.20 C HETATM 1261 C10 UNN A 148 5.960 -4.194 4.551 1.00 0.04 C HETATM 1262 C9 UNN A 148 6.618 -3.132 5.185 1.00 -0.05 C HETATM 1263 C8 UNN A 148 8.018 -3.100 5.227 1.00 -0.06 C HETATM 1264 C7 UNN A 148 8.770 -4.121 4.622 1.00 -0.03 C HETATM 1265 C12 UNN A 148 8.100 -5.185 3.997 1.00 -0.06 C HETATM 1266 C11 UNN A 148 6.703 -5.224 3.960 1.00 -0.05 C HETATM 1267 H8 UNN A 148 6.196 -6.050 3.475 1.00 0.06 H HETATM 1268 H9 UNN A 148 8.671 -5.984 3.539 1.00 0.06 H HETATM 1269 C2 UNN A 148 10.268 -4.111 4.689 1.00 -0.00 C HETATM 1270 C1 UNN A 148 10.992 -2.907 4.706 1.00 0.07 C HETATM 1271 N UNN A 148 12.338 -2.866 4.806 1.00 -0.21 N HETATM 1272 C6 UNN A 148 13.087 -4.073 4.893 1.00 0.22 C HETATM 1273 C4 UNN A 148 12.340 -5.361 4.884 1.00 0.01 C HETATM 1274 C5 UNN A 148 13.047 -6.685 4.975 1.00 -0.03 C HETATM 1275 H3 UNN A 148 12.307 -7.498 4.951 1.00 0.04 H HETATM 1276 H4 UNN A 148 13.615 -6.734 5.916 1.00 0.04 H HETATM 1277 H5 UNN A 148 13.736 -6.792 4.125 1.00 0.04 H HETATM 1278 C3 UNN A 148 10.951 -5.329 4.796 1.00 -0.07 C HETATM 1279 H11 UNN A 148 10.389 -6.262 4.811 1.00 0.05 H HETATM 1280 O UNN A 148 14.337 -4.075 4.988 1.00 -0.41 O HETATM 1281 C UNN A 148 13.007 -1.560 4.808 1.00 0.06 C HETATM 1282 H12 UNN A 148 14.094 -1.705 4.895 1.00 0.06 H HETATM 1283 H13 UNN A 148 12.647 -0.965 5.660 1.00 0.06 H HETATM 1284 H14 UNN A 148 12.782 -1.031 3.870 1.00 0.06 H HETATM 1285 H10 UNN A 148 10.445 -1.968 4.636 1.00 0.12 H HETATM 1286 H6 UNN A 148 8.524 -2.283 5.729 1.00 0.06 H HETATM 1287 H7 UNN A 148 6.044 -2.335 5.643 1.00 0.06 H HETATM 1288 O1 UNN A 148 3.830 -4.184 5.561 1.00 -0.39 O HETATM 1289 H1 UNN A 148 2.838 -4.381 3.298 1.00 0.18 H HETATM 1290 H2 UNN A 148 4.371 -4.402 2.492 1.00 0.18 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1259 1260 1289 1290 CONECT 1260 1259 1261 1288 CONECT 1261 1260 1262 1266 CONECT 1262 1261 1263 1287 CONECT 1263 1262 1264 1286 CONECT 1264 1263 1265 1269 CONECT 1265 1264 1266 1268 CONECT 1266 1261 1265 1267 CONECT 1267 1266 CONECT 1268 1265 CONECT 1269 1264 1270 1278 CONECT 1270 1269 1271 1285 CONECT 1271 1270 1272 1281 CONECT 1272 1271 1273 1280 CONECT 1273 1272 1274 1278 CONECT 1274 1273 1275 1276 1277 CONECT 1275 1274 CONECT 1276 1274 CONECT 1277 1274 CONECT 1278 1269 1273 1279 CONECT 1279 1278 CONECT 1280 1272 CONECT 1281 1271 1282 1283 1284 CONECT 1282 1281 CONECT 1283 1281 CONECT 1284 1281 CONECT 1285 1270 CONECT 1286 1263 CONECT 1287 1262 CONECT 1288 1260 CONECT 1289 1259 CONECT 1290 1259 MASTER 0 0 0 0 0 0 0 0 1289 1 36 9 END
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Related entries of code: 5f25
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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106aa, >4UIT_1|Chain... at 99%
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106aa, >4UIU_1|Chain... at 99%
4uiv
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4uiw
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PDBbind
106aa, >4UIW_1|Chain... at 99%
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123aa, >4XY8_1|Chain... *
4z6h
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PDBbind
123aa, >4Z6H_1|Chains... at 100%
4z6i
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PDBbind
123aa, >4Z6I_1|Chains... at 100%
5eu1
RCSB PDB
PDBbind
123aa, >5EU1_1|Chains... at 100%
5f1h
RCSB PDB
PDBbind
123aa, >5F1H_1|Chains... at 100%
5f1l
RCSB PDB
PDBbind
123aa, >5F1L_1|Chains... at 100%
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RCSB PDB
PDBbind
123aa, >5F2P_1|Chains... at 100%
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RCSB PDB
PDBbind
102aa, >5I40_1|Chain... at 100%
5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
101aa, >5I7Y_1|Chain... at 100%
5igm
RCSB PDB
PDBbind
123aa, >5IGM_1|Chains... at 100%
5ji8
RCSB PDB
PDBbind
111aa, >5JI8_1|Chain... at 92%
5mky
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PDBbind
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5f25
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human BRD9
Ligand Name
5TU
EC.Number
E.C.-.-.-.-
Resolution
1.68(Å)
Affinity (Kd/Ki/IC50)
Kd=9.1uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 4462-4475
Ligand Properties
Formula
C
1
4
H
1
4
N
2
O
2
Molecular Weight
242.273
Exact Mass
242.106
No. of atoms
32
No. of bonds
33
Polar Surface Area
65.09
LOGP Value
0.82 (
Computed with XLOGP3
)
2.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
NC(=O)c1ccc(cc1)c1cc(C)c(=O)n(c1)C
InChI String
InChI=1S/C14H14N2O2/c1-9-7-12(8-16(2)14(9)18)10-3-5-11(6-4-10)13(15)17/h3-8H,1-2H3,(H2,15,17)
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):
Q9H8M2
Entrez Gene ID
NCBI Entrez Gene ID:
65980
ASD
Information of known allosteric effects of PDB entries
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