Browse entries in the PDBbind-CN Database
HEADER 5OH3_COMPLEX COMPND 5OH3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR ILE SEQRES 2 A 105 SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP HIS SEQRES 3 A 105 GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE ARG SEQRES 4 A 105 VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU ILE SEQRES 5 A 105 GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY TYR SEQRES 6 A 105 ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS SEQRES 7 A 105 LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN THR SEQRES 8 A 105 PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO SEQRES 9 A 105 ALA HET ZN A 1 1 HET UNN A 163 21 ATOM 1 N ALA A 19 17.266 12.895 20.770 1.00 64.25 N ATOM 2 CA ALA A 19 17.788 13.186 19.392 1.00 62.11 C ATOM 3 C ALA A 19 16.684 13.075 18.311 1.00 61.50 C ATOM 4 O ALA A 19 16.567 12.064 17.613 1.00 68.74 O ATOM 5 CB ALA A 19 18.973 12.279 19.063 1.00 61.47 C ATOM 6 HN3 ALA A 19 16.883 11.928 20.797 1.00 0.00 H ATOM 7 HN2 ALA A 19 16.514 13.574 21.005 1.00 0.00 H ATOM 8 HN1 ALA A 19 18.041 12.982 21.458 1.00 0.00 H ATOM 9 N SER A 20 15.885 14.129 18.175 1.00 54.61 N ATOM 10 CA SER A 20 14.802 14.118 17.234 1.00 48.67 C ATOM 11 C SER A 20 14.767 15.316 16.283 1.00 43.27 C ATOM 12 O SER A 20 14.001 15.251 15.350 1.00 43.63 O ATOM 13 CB SER A 20 13.459 13.962 17.952 1.00 51.39 C ATOM 14 OG SER A 20 13.045 15.178 18.539 1.00 54.35 O ATOM 15 HG SER A 20 12.176 15.044 18.994 1.00 0.00 H ATOM 16 H SER A 20 16.047 14.974 18.759 1.00 0.00 H ATOM 17 N ILE A 21 15.541 16.392 16.479 1.00 36.69 N ATOM 18 CA ILE A 21 15.610 17.421 15.449 1.00 34.29 C ATOM 19 C ILE A 21 17.033 17.598 14.960 1.00 30.14 C ATOM 20 O ILE A 21 17.994 17.260 15.661 1.00 29.19 O ATOM 21 CB ILE A 21 15.041 18.792 15.862 1.00 37.30 C ATOM 22 CG1 ILE A 21 15.971 19.519 16.807 1.00 38.73 C ATOM 23 CG2 ILE A 21 13.639 18.649 16.462 1.00 40.49 C ATOM 24 CD1 ILE A 21 15.641 20.984 16.916 1.00 41.88 C ATOM 25 H ILE A 21 16.088 16.492 17.358 1.00 0.00 H ATOM 26 N PHE A 22 17.143 18.133 13.757 1.00 26.50 N ATOM 27 CA PHE A 22 18.425 18.370 13.132 1.00 25.66 C ATOM 28 C PHE A 22 18.648 19.865 13.032 1.00 24.03 C ATOM 29 O PHE A 22 17.799 20.596 12.530 1.00 23.39 O ATOM 30 CB PHE A 22 18.482 17.712 11.742 1.00 25.53 C ATOM 31 CG PHE A 22 18.453 16.218 11.785 1.00 27.52 C ATOM 32 CD1 PHE A 22 19.596 15.509 12.033 1.00 28.13 C ATOM 33 CD2 PHE A 22 17.254 15.521 11.591 1.00 29.34 C ATOM 34 CE1 PHE A 22 19.559 14.123 12.083 1.00 31.20 C ATOM 35 CE2 PHE A 22 17.224 14.144 11.621 1.00 30.40 C ATOM 36 CZ PHE A 22 18.379 13.445 11.874 1.00 30.66 C ATOM 37 H PHE A 22 16.278 18.393 13.242 1.00 0.00 H ATOM 38 N ARG A 23 19.824 20.294 13.485 1.00 22.98 N ATOM 39 CA ARG A 23 20.238 21.658 13.395 1.00 21.99 C ATOM 40 C ARG A 23 21.463 21.748 12.498 1.00 21.57 C ATOM 41 O ARG A 23 22.165 20.771 12.322 1.00 21.27 O ATOM 42 CB ARG A 23 20.582 22.180 14.795 1.00 23.32 C ATOM 43 CG ARG A 23 19.367 22.338 15.696 1.00 24.66 C ATOM 44 CD ARG A 23 19.745 22.863 17.077 1.00 26.97 C ATOM 45 NE ARG A 23 18.516 23.009 17.864 1.00 28.91 N ATOM 46 CZ ARG A 23 17.675 24.036 17.782 1.00 31.10 C ATOM 47 NH1 ARG A 23 17.928 25.080 16.994 1.00 31.48 N ATOM 48 NH2 ARG A 23 16.571 24.024 18.513 1.00 34.03 N ATOM 49 HE ARG A 23 18.284 22.251 18.538 1.00 0.00 H ATOM 50 HH12 ARG A 23 17.255 25.871 16.947 1.00 0.00 H ATOM 51 HH11 ARG A 23 18.799 25.104 16.426 1.00 0.00 H ATOM 52 HH22 ARG A 23 15.903 24.820 18.460 1.00 0.00 H ATOM 53 HH21 ARG A 23 16.371 23.219 19.140 1.00 0.00 H ATOM 54 H ARG A 23 20.469 19.606 13.923 1.00 0.00 H ATOM 55 N CYS A 24 21.711 22.929 11.944 1.00 21.23 N ATOM 56 CA CYS A 24 22.954 23.227 11.271 1.00 21.72 C ATOM 57 C CYS A 24 24.109 23.055 12.226 1.00 23.43 C ATOM 58 O CYS A 24 24.136 23.640 13.303 1.00 24.01 O ATOM 59 CB CYS A 24 22.960 24.649 10.760 1.00 22.45 C ATOM 60 SG CYS A 24 24.521 25.166 9.977 1.00 23.20 S ATOM 61 H CYS A 24 20.982 23.669 11.997 1.00 0.00 H ATOM 62 N ARG A 25 25.066 22.232 11.824 1.00 23.62 N ATOM 63 CA ARG A 25 26.206 21.933 12.652 1.00 25.48 C ATOM 64 C ARG A 25 27.073 23.179 12.923 1.00 27.13 C ATOM 65 O ARG A 25 27.677 23.290 13.989 1.00 25.82 O ATOM 66 CB ARG A 25 27.042 20.852 11.993 1.00 24.75 C ATOM 67 CG ARG A 25 28.303 20.485 12.741 1.00 25.26 C ATOM 68 CD ARG A 25 29.060 19.420 11.967 1.00 25.05 C ATOM 69 NE ARG A 25 30.381 19.242 12.536 1.00 25.82 N ATOM 70 CZ ARG A 25 31.224 18.286 12.186 1.00 26.14 C ATOM 71 NH1 ARG A 25 32.395 18.214 12.793 1.00 27.29 N ATOM 72 NH2 ARG A 25 30.901 17.406 11.236 1.00 25.90 N ATOM 73 HE ARG A 25 30.687 19.912 13.270 1.00 0.00 H ATOM 74 HH12 ARG A 25 33.071 17.469 12.531 1.00 0.00 H ATOM 75 HH11 ARG A 25 32.640 18.903 13.533 1.00 0.00 H ATOM 76 HH22 ARG A 25 31.573 16.658 10.970 1.00 0.00 H ATOM 77 HH21 ARG A 25 29.977 17.468 10.762 1.00 0.00 H ATOM 78 H ARG A 25 24.992 21.790 10.886 1.00 0.00 H ATOM 79 N GLN A 26 27.133 24.084 11.949 1.00 28.79 N ATOM 80 CA GLN A 26 27.985 25.269 12.067 1.00 32.07 C ATOM 81 C GLN A 26 27.429 26.358 12.963 1.00 30.42 C ATOM 82 O GLN A 26 28.208 27.037 13.623 1.00 32.53 O ATOM 83 CB GLN A 26 28.329 25.843 10.686 1.00 34.73 C ATOM 84 CG GLN A 26 29.208 24.892 9.887 1.00 39.01 C ATOM 85 CD GLN A 26 30.433 24.432 10.664 1.00 43.35 C ATOM 86 OE1 GLN A 26 30.661 23.233 10.841 1.00 48.22 O ATOM 87 NE2 GLN A 26 31.210 25.383 11.158 1.00 46.01 N ATOM 88 HE22 GLN A 26 30.982 26.383 10.985 1.00 0.00 H ATOM 89 HE21 GLN A 26 32.049 25.130 11.719 1.00 0.00 H ATOM 90 H GLN A 26 26.565 23.947 11.089 1.00 0.00 H ATOM 91 N CYS A 27 26.115 26.533 13.000 1.00 28.36 N ATOM 92 CA CYS A 27 25.543 27.626 13.784 1.00 28.66 C ATOM 93 C CYS A 27 24.366 27.273 14.694 1.00 28.14 C ATOM 94 O CYS A 27 24.014 28.063 15.547 1.00 28.74 O ATOM 95 CB CYS A 27 25.121 28.751 12.839 1.00 29.00 C ATOM 96 SG CYS A 27 23.651 28.353 11.880 1.00 27.39 S ATOM 97 H CYS A 27 25.491 25.892 12.470 1.00 0.00 H ATOM 98 N GLY A 28 23.739 26.121 14.507 1.00 27.04 N ATOM 99 CA GLY A 28 22.592 25.733 15.346 1.00 28.04 C ATOM 100 C GLY A 28 21.204 26.058 14.817 1.00 26.98 C ATOM 101 O GLY A 28 20.199 25.737 15.457 1.00 26.47 O ATOM 102 H GLY A 28 24.062 25.480 13.755 1.00 0.00 H ATOM 103 N GLN A 29 21.122 26.679 13.651 1.00 26.43 N ATOM 104 CA GLN A 29 19.823 26.900 13.011 1.00 26.49 C ATOM 105 C GLN A 29 19.018 25.606 12.937 1.00 26.13 C ATOM 106 O GLN A 29 19.535 24.580 12.511 1.00 24.53 O ATOM 107 CB GLN A 29 20.015 27.438 11.592 1.00 25.80 C ATOM 108 CG GLN A 29 18.738 27.568 10.754 1.00 25.61 C ATOM 109 CD GLN A 29 18.142 28.942 10.840 1.00 26.63 C ATOM 110 OE1 GLN A 29 17.978 29.471 11.926 1.00 27.66 O ATOM 111 NE2 GLN A 29 17.823 29.535 9.694 1.00 27.39 N ATOM 112 HE22 GLN A 29 17.982 29.043 8.792 1.00 0.00 H ATOM 113 HE21 GLN A 29 17.415 30.491 9.699 1.00 0.00 H ATOM 114 H GLN A 29 21.989 27.014 13.184 1.00 0.00 H ATOM 115 N THR A 30 17.748 25.657 13.332 1.00 27.44 N ATOM 116 CA THR A 30 16.851 24.502 13.176 1.00 29.37 C ATOM 117 C THR A 30 16.533 24.226 11.708 1.00 26.23 C ATOM 118 O THR A 30 16.117 25.133 10.983 1.00 24.89 O ATOM 119 CB THR A 30 15.506 24.748 13.877 1.00 32.83 C ATOM 120 OG1 THR A 30 15.735 25.287 15.175 1.00 40.99 O ATOM 121 CG2 THR A 30 14.711 23.452 13.966 1.00 33.72 C ATOM 122 HG1 THR A 30 14.867 25.444 15.624 1.00 0.00 H ATOM 123 H THR A 30 17.382 26.532 13.760 1.00 0.00 H ATOM 124 N ILE A 31 16.695 22.979 11.280 1.00 25.58 N ATOM 125 CA ILE A 31 16.573 22.652 9.860 1.00 24.47 C ATOM 126 C ILE A 31 15.497 21.605 9.552 1.00 26.40 C ATOM 127 O ILE A 31 14.675 21.812 8.657 1.00 26.85 O ATOM 128 CB ILE A 31 17.890 22.157 9.243 1.00 23.22 C ATOM 129 CG1 ILE A 31 19.017 23.176 9.397 1.00 21.97 C ATOM 130 CG2 ILE A 31 17.670 21.821 7.758 1.00 23.60 C ATOM 131 CD1 ILE A 31 18.800 24.517 8.682 1.00 22.13 C ATOM 132 H ILE A 31 16.911 22.226 11.964 1.00 0.00 H ATOM 133 N SER A 32 15.528 20.471 10.254 1.00 25.21 N ATOM 134 CA SER A 32 14.568 19.437 10.004 1.00 25.60 C ATOM 135 C SER A 32 14.388 18.562 11.231 1.00 26.65 C ATOM 136 O SER A 32 14.866 18.895 12.322 1.00 26.06 O ATOM 137 CB SER A 32 14.955 18.623 8.746 1.00 24.62 C ATOM 138 OG SER A 32 13.845 17.875 8.283 1.00 26.21 O ATOM 139 HG SER A 32 13.105 18.492 8.054 1.00 0.00 H ATOM 140 H SER A 32 16.253 20.337 10.987 1.00 0.00 H ATOM 141 N ARG A 33 13.628 17.483 11.060 1.00 28.71 N ATOM 142 CA ARG A 33 13.237 16.599 12.138 1.00 31.46 C ATOM 143 C ARG A 33 13.365 15.162 11.671 1.00 31.95 C ATOM 144 O ARG A 33 13.101 14.878 10.501 1.00 29.96 O ATOM 145 CB ARG A 33 11.773 16.838 12.525 1.00 34.64 C ATOM 146 CG ARG A 33 11.414 18.283 12.842 1.00 37.27 C ATOM 147 CD ARG A 33 9.971 18.397 13.285 1.00 40.97 C ATOM 148 NE ARG A 33 9.745 17.653 14.523 1.00 46.59 N ATOM 149 CZ ARG A 33 9.857 18.146 15.759 1.00 51.18 C ATOM 150 NH1 ARG A 33 10.217 19.408 15.972 1.00 52.28 N ATOM 151 NH2 ARG A 33 9.595 17.365 16.806 1.00 55.92 N ATOM 152 HE ARG A 33 9.473 16.653 14.433 1.00 0.00 H ATOM 153 HH12 ARG A 33 10.297 19.769 16.944 1.00 0.00 H ATOM 154 HH11 ARG A 33 10.418 20.034 15.167 1.00 0.00 H ATOM 155 HH22 ARG A 33 9.680 17.743 17.771 1.00 0.00 H ATOM 156 HH21 ARG A 33 9.305 16.377 16.658 1.00 0.00 H ATOM 157 H ARG A 33 13.297 17.263 10.099 1.00 0.00 H ATOM 158 N ARG A 34 13.705 14.264 12.596 1.00 31.37 N ATOM 159 CA ARG A 34 13.732 12.847 12.311 1.00 33.64 C ATOM 160 C ARG A 34 12.385 12.331 11.783 1.00 34.50 C ATOM 161 O ARG A 34 12.355 11.475 10.911 1.00 33.81 O ATOM 162 CB ARG A 34 14.154 12.061 13.551 1.00 37.16 C ATOM 163 CG ARG A 34 14.179 10.557 13.348 1.00 41.40 C ATOM 164 CD ARG A 34 15.028 9.844 14.390 1.00 45.18 C ATOM 165 NE ARG A 34 16.458 10.043 14.119 1.00 46.12 N ATOM 166 CZ ARG A 34 17.206 9.338 13.258 1.00 47.40 C ATOM 167 NH1 ARG A 34 16.691 8.346 12.537 1.00 49.26 N ATOM 168 NH2 ARG A 34 18.492 9.633 13.110 1.00 46.88 N ATOM 169 HE ARG A 34 16.935 10.803 14.645 1.00 0.00 H ATOM 170 HH12 ARG A 34 17.294 7.816 11.877 1.00 0.00 H ATOM 171 HH11 ARG A 34 15.685 8.101 12.634 1.00 0.00 H ATOM 172 HH22 ARG A 34 19.077 9.089 12.444 1.00 0.00 H ATOM 173 HH21 ARG A 34 18.915 10.408 13.660 1.00 0.00 H ATOM 174 H ARG A 34 13.958 14.592 13.550 1.00 0.00 H ATOM 175 N ASP A 35 11.279 12.860 12.306 1.00 35.29 N ATOM 176 CA ASP A 35 9.940 12.527 11.827 1.00 36.21 C ATOM 177 C ASP A 35 9.712 12.806 10.345 1.00 34.37 C ATOM 178 O ASP A 35 8.801 12.224 9.749 1.00 34.78 O ATOM 179 CB ASP A 35 8.891 13.311 12.610 1.00 39.24 C ATOM 180 CG ASP A 35 8.689 12.775 13.987 1.00 42.85 C ATOM 181 OD1 ASP A 35 9.143 11.655 14.268 1.00 45.48 O ATOM 182 OD2 ASP A 35 8.071 13.472 14.795 1.00 47.11 O ATOM 183 H ASP A 35 11.373 13.539 13.088 1.00 0.00 H ATOM 184 N TRP A 36 10.528 13.693 9.766 1.00 31.40 N ATOM 185 CA TRP A 36 10.404 14.071 8.371 1.00 30.74 C ATOM 186 C TRP A 36 11.317 13.319 7.407 1.00 29.31 C ATOM 187 O TRP A 36 11.329 13.627 6.230 1.00 28.65 O ATOM 188 CB TRP A 36 10.603 15.577 8.214 1.00 29.38 C ATOM 189 CG TRP A 36 9.610 16.388 9.001 1.00 30.66 C ATOM 190 CD1 TRP A 36 8.439 15.953 9.545 1.00 33.36 C ATOM 191 CD2 TRP A 36 9.695 17.767 9.303 1.00 30.91 C ATOM 192 NE1 TRP A 36 7.784 16.979 10.182 1.00 34.00 N ATOM 193 CE2 TRP A 36 8.534 18.112 10.047 1.00 33.92 C ATOM 194 CE3 TRP A 36 10.635 18.751 9.026 1.00 31.47 C ATOM 195 CZ2 TRP A 36 8.298 19.405 10.508 1.00 35.04 C ATOM 196 CZ3 TRP A 36 10.405 20.031 9.481 1.00 32.29 C ATOM 197 CH2 TRP A 36 9.251 20.350 10.213 1.00 34.30 C ATOM 198 HE1 TRP A 36 6.874 16.905 10.681 1.00 0.00 H ATOM 199 H TRP A 36 11.280 14.128 10.337 1.00 0.00 H ATOM 200 N LEU A 37 12.061 12.330 7.891 1.00 30.72 N ATOM 201 CA LEU A 37 12.896 11.513 7.010 1.00 30.92 C ATOM 202 C LEU A 37 12.022 10.850 5.944 1.00 32.65 C ATOM 203 O LEU A 37 10.885 10.460 6.219 1.00 34.24 O ATOM 204 CB LEU A 37 13.681 10.461 7.807 1.00 32.05 C ATOM 205 CG LEU A 37 14.910 10.992 8.563 1.00 30.79 C ATOM 206 CD1 LEU A 37 15.381 9.979 9.590 1.00 32.99 C ATOM 207 CD2 LEU A 37 16.043 11.345 7.626 1.00 29.75 C ATOM 208 H LEU A 37 12.050 12.134 8.912 1.00 0.00 H ATOM 209 N LEU A 38 12.557 10.746 4.730 1.00 32.12 N ATOM 210 CA LEU A 38 11.817 10.237 3.569 1.00 35.40 C ATOM 211 C LEU A 38 12.595 9.087 2.928 1.00 36.87 C ATOM 212 O LEU A 38 13.662 9.306 2.351 1.00 34.73 O ATOM 213 CB LEU A 38 11.639 11.351 2.533 1.00 33.83 C ATOM 214 CG LEU A 38 10.975 11.016 1.183 1.00 35.53 C ATOM 215 CD1 LEU A 38 9.553 10.506 1.376 1.00 37.46 C ATOM 216 CD2 LEU A 38 10.987 12.252 0.292 1.00 34.64 C ATOM 217 H LEU A 38 13.546 11.039 4.598 1.00 0.00 H ATOM 218 N PRO A 39 12.072 7.860 3.013 1.00 41.86 N ATOM 219 CA PRO A 39 12.804 6.778 2.334 1.00 45.55 C ATOM 220 C PRO A 39 12.659 6.753 0.785 1.00 47.30 C ATOM 221 O PRO A 39 11.923 5.934 0.267 1.00 54.64 O ATOM 222 CB PRO A 39 12.219 5.515 2.983 1.00 48.60 C ATOM 223 CG PRO A 39 10.832 5.911 3.388 1.00 48.18 C ATOM 224 CD PRO A 39 10.911 7.365 3.774 1.00 44.93 C ATOM 225 N MET A 40 13.391 7.614 0.069 1.00 48.73 N ATOM 226 CA MET A 40 13.455 7.604 -1.414 1.00 49.49 C ATOM 227 C MET A 40 14.117 6.329 -1.913 1.00 51.48 C ATOM 228 O MET A 40 15.226 5.993 -1.500 1.00 51.94 O ATOM 229 CB MET A 40 14.268 8.803 -1.952 1.00 49.25 C ATOM 230 CG MET A 40 13.569 10.149 -1.886 1.00 48.74 C ATOM 231 SD MET A 40 12.169 10.279 -3.004 1.00 52.63 S ATOM 232 CE MET A 40 12.950 9.901 -4.580 1.00 52.12 C ATOM 233 H MET A 40 13.946 8.330 0.580 1.00 0.00 H ATOM 234 N GLY A 41 13.442 5.627 -2.821 1.00 53.67 N ATOM 235 CA GLY A 41 13.949 4.372 -3.365 1.00 54.75 C ATOM 236 C GLY A 41 14.177 3.298 -2.316 1.00 56.40 C ATOM 237 O GLY A 41 14.999 2.415 -2.514 1.00 59.21 O ATOM 238 H GLY A 41 12.524 5.985 -3.153 1.00 0.00 H ATOM 239 N GLY A 42 13.447 3.363 -1.203 1.00 55.71 N ATOM 240 CA GLY A 42 13.575 2.375 -0.132 1.00 56.86 C ATOM 241 C GLY A 42 14.502 2.752 1.016 1.00 55.21 C ATOM 242 O GLY A 42 14.572 2.032 2.006 1.00 56.61 O ATOM 243 H GLY A 42 12.765 4.140 -1.092 1.00 0.00 H ATOM 244 N ASP A 43 15.224 3.862 0.903 1.00 52.51 N ATOM 245 CA ASP A 43 16.192 4.230 1.949 1.00 50.98 C ATOM 246 C ASP A 43 16.292 5.736 2.094 1.00 45.52 C ATOM 247 O ASP A 43 16.386 6.458 1.100 1.00 44.67 O ATOM 248 CB ASP A 43 17.571 3.653 1.601 1.00 52.82 C ATOM 249 CG ASP A 43 18.499 3.531 2.811 1.00 54.72 C ATOM 250 OD1 ASP A 43 18.326 4.228 3.833 1.00 50.65 O ATOM 251 OD2 ASP A 43 19.443 2.723 2.717 1.00 60.33 O ATOM 252 H ASP A 43 15.104 4.474 0.071 1.00 0.00 H ATOM 253 N HIS A 44 16.294 6.228 3.330 1.00 43.45 N ATOM 254 CA HIS A 44 16.488 7.663 3.536 1.00 40.53 C ATOM 255 C HIS A 44 17.946 8.075 3.262 1.00 37.26 C ATOM 256 O HIS A 44 18.196 9.216 2.914 1.00 33.64 O ATOM 257 CB HIS A 44 15.984 8.133 4.921 1.00 40.58 C ATOM 258 CG HIS A 44 16.844 7.712 6.075 1.00 43.86 C ATOM 259 ND1 HIS A 44 16.534 6.638 6.881 1.00 48.27 N ATOM 260 CD2 HIS A 44 17.988 8.238 6.580 1.00 43.57 C ATOM 261 CE1 HIS A 44 17.462 6.502 7.814 1.00 48.26 C ATOM 262 NE2 HIS A 44 18.352 7.464 7.657 1.00 46.92 N ATOM 263 H HIS A 44 16.158 5.596 4.145 1.00 0.00 H ATOM 264 N GLU A 45 18.886 7.139 3.399 1.00 37.74 N ATOM 265 CA GLU A 45 20.306 7.410 3.134 1.00 38.29 C ATOM 266 C GLU A 45 20.759 7.019 1.717 1.00 39.59 C ATOM 267 O GLU A 45 20.539 5.888 1.268 1.00 41.68 O ATOM 268 CB GLU A 45 21.197 6.688 4.127 1.00 39.59 C ATOM 269 CG GLU A 45 22.666 6.992 3.887 1.00 41.26 C ATOM 270 CD GLU A 45 23.539 6.440 4.980 1.00 43.65 C ATOM 271 OE1 GLU A 45 23.660 7.076 6.050 1.00 43.72 O ATOM 272 OE2 GLU A 45 24.117 5.359 4.758 1.00 48.86 O ATOM 273 H GLU A 45 18.605 6.185 3.704 1.00 0.00 H ATOM 274 N HIS A 46 21.410 7.970 1.048 1.00 38.61 N ATOM 275 CA HIS A 46 21.987 7.771 -0.281 1.00 38.67 C ATOM 276 C HIS A 46 23.405 8.309 -0.271 1.00 37.47 C ATOM 277 O HIS A 46 23.621 9.489 -0.006 1.00 35.23 O ATOM 278 CB HIS A 46 21.147 8.511 -1.314 1.00 37.93 C ATOM 279 CG HIS A 46 19.745 7.992 -1.397 1.00 40.52 C ATOM 280 ND1 HIS A 46 19.306 7.190 -2.428 1.00 42.87 N ATOM 281 CD2 HIS A 46 18.700 8.101 -0.537 1.00 40.58 C ATOM 282 CE1 HIS A 46 18.047 6.850 -2.218 1.00 42.54 C ATOM 283 NE2 HIS A 46 17.658 7.384 -1.074 1.00 42.56 N ATOM 284 H HIS A 46 21.513 8.903 1.495 1.00 0.00 H ATOM 285 N VAL A 47 24.374 7.434 -0.495 1.00 38.95 N ATOM 286 CA VAL A 47 25.760 7.856 -0.605 1.00 39.33 C ATOM 287 C VAL A 47 26.066 8.119 -2.072 1.00 39.29 C ATOM 288 O VAL A 47 25.969 7.225 -2.911 1.00 40.11 O ATOM 289 CB VAL A 47 26.729 6.816 -0.030 1.00 42.94 C ATOM 290 CG1 VAL A 47 28.179 7.294 -0.166 1.00 44.72 C ATOM 291 CG2 VAL A 47 26.424 6.546 1.438 1.00 43.42 C ATOM 292 H VAL A 47 24.138 6.426 -0.594 1.00 0.00 H ATOM 293 N VAL A 48 26.466 9.342 -2.368 1.00 37.14 N ATOM 294 CA VAL A 48 26.595 9.800 -3.748 1.00 38.32 C ATOM 295 C VAL A 48 27.850 10.664 -3.942 1.00 37.73 C ATOM 296 O VAL A 48 28.435 11.169 -2.972 1.00 36.29 O ATOM 297 CB VAL A 48 25.353 10.618 -4.163 1.00 37.08 C ATOM 298 CG1 VAL A 48 24.110 9.739 -4.167 1.00 38.39 C ATOM 299 CG2 VAL A 48 25.134 11.786 -3.210 1.00 34.60 C ATOM 300 H VAL A 48 26.696 9.999 -1.595 1.00 0.00 H ATOM 301 N PHE A 49 28.253 10.813 -5.199 1.00 37.53 N ATOM 302 CA PHE A 49 29.382 11.634 -5.578 1.00 37.77 C ATOM 303 C PHE A 49 28.974 12.705 -6.556 1.00 36.61 C ATOM 304 O PHE A 49 28.169 12.458 -7.453 1.00 35.66 O ATOM 305 CB PHE A 49 30.445 10.790 -6.289 1.00 41.76 C ATOM 306 CG PHE A 49 31.161 9.818 -5.407 1.00 44.28 C ATOM 307 CD1 PHE A 49 32.288 10.210 -4.696 1.00 45.76 C ATOM 308 CD2 PHE A 49 30.747 8.495 -5.327 1.00 46.77 C ATOM 309 CE1 PHE A 49 32.971 9.317 -3.884 1.00 47.93 C ATOM 310 CE2 PHE A 49 31.428 7.592 -4.518 1.00 49.30 C ATOM 311 CZ PHE A 49 32.547 8.002 -3.798 1.00 49.95 C ATOM 312 H PHE A 49 27.731 10.315 -5.948 1.00 0.00 H ATOM 313 N ASN A 50 29.613 13.861 -6.445 1.00 36.32 N ATOM 314 CA ASN A 50 29.446 14.927 -7.421 1.00 37.28 C ATOM 315 C ASN A 50 30.557 14.877 -8.475 1.00 39.64 C ATOM 316 O ASN A 50 31.442 14.038 -8.382 1.00 41.02 O ATOM 317 CB ASN A 50 29.350 16.295 -6.721 1.00 35.99 C ATOM 318 CG ASN A 50 30.654 16.753 -6.088 1.00 37.22 C ATOM 319 OD1 ASN A 50 31.741 16.177 -6.295 1.00 40.03 O ATOM 320 ND2 ASN A 50 30.559 17.827 -5.346 1.00 35.53 N ATOM 321 HD22 ASN A 50 29.633 18.277 -5.199 1.00 0.00 H ATOM 322 HD21 ASN A 50 31.409 18.231 -4.904 1.00 0.00 H ATOM 323 H ASN A 50 30.252 14.010 -5.638 1.00 0.00 H ATOM 324 N PRO A 51 30.480 15.727 -9.518 1.00 41.02 N ATOM 325 CA PRO A 51 31.519 15.664 -10.562 1.00 44.36 C ATOM 326 C PRO A 51 32.931 16.058 -10.099 1.00 44.44 C ATOM 327 O PRO A 51 33.886 15.771 -10.792 1.00 47.90 O ATOM 328 CB PRO A 51 31.001 16.629 -11.639 1.00 45.08 C ATOM 329 CG PRO A 51 29.517 16.689 -11.422 1.00 43.27 C ATOM 330 CD PRO A 51 29.328 16.548 -9.943 1.00 40.54 C ATOM 331 N ALA A 52 33.050 16.732 -8.960 1.00 42.08 N ATOM 332 CA ALA A 52 34.348 17.041 -8.387 1.00 43.64 C ATOM 333 C ALA A 52 34.863 15.895 -7.508 1.00 43.98 C ATOM 334 O ALA A 52 35.926 16.007 -6.893 1.00 46.75 O ATOM 335 CB ALA A 52 34.285 18.341 -7.604 1.00 41.52 C ATOM 336 H ALA A 52 32.191 17.047 -8.466 1.00 0.00 H ATOM 337 N GLY A 53 34.115 14.796 -7.463 1.00 42.63 N ATOM 338 CA GLY A 53 34.523 13.593 -6.771 1.00 43.28 C ATOM 339 C GLY A 53 34.317 13.623 -5.268 1.00 41.36 C ATOM 340 O GLY A 53 34.788 12.744 -4.563 1.00 42.29 O ATOM 341 H GLY A 53 33.195 14.802 -7.947 1.00 0.00 H ATOM 342 N MET A 54 33.604 14.616 -4.768 1.00 41.12 N ATOM 343 CA MET A 54 33.265 14.652 -3.345 1.00 40.86 C ATOM 344 C MET A 54 32.138 13.670 -3.068 1.00 38.87 C ATOM 345 O MET A 54 31.171 13.596 -3.844 1.00 35.38 O ATOM 346 CB MET A 54 32.821 16.032 -2.917 1.00 41.98 C ATOM 347 CG MET A 54 33.798 17.129 -3.284 1.00 47.76 C ATOM 348 SD MET A 54 33.204 18.715 -2.713 1.00 53.83 S ATOM 349 CE MET A 54 32.954 19.639 -4.244 1.00 54.86 C ATOM 350 H MET A 54 33.280 15.381 -5.393 1.00 0.00 H ATOM 351 N ILE A 55 32.290 12.915 -1.981 1.00 38.11 N ATOM 352 CA ILE A 55 31.318 11.929 -1.570 1.00 38.29 C ATOM 353 C ILE A 55 30.430 12.593 -0.543 1.00 36.69 C ATOM 354 O ILE A 55 30.904 13.339 0.304 1.00 36.44 O ATOM 355 CB ILE A 55 31.980 10.646 -1.000 1.00 40.64 C ATOM 356 CG1 ILE A 55 30.943 9.541 -0.843 1.00 40.25 C ATOM 357 CG2 ILE A 55 32.664 10.886 0.353 1.00 41.54 C ATOM 358 CD1 ILE A 55 31.514 8.171 -0.576 1.00 43.00 C ATOM 359 H ILE A 55 33.146 13.041 -1.403 1.00 0.00 H ATOM 360 N PHE A 56 29.128 12.380 -0.656 1.00 35.68 N ATOM 361 CA PHE A 56 28.178 12.972 0.281 1.00 33.34 C ATOM 362 C PHE A 56 27.286 11.850 0.764 1.00 34.15 C ATOM 363 O PHE A 56 26.844 11.018 -0.032 1.00 33.44 O ATOM 364 CB PHE A 56 27.309 14.035 -0.387 1.00 31.70 C ATOM 365 CG PHE A 56 28.069 15.214 -0.933 1.00 32.89 C ATOM 366 CD1 PHE A 56 28.423 16.275 -0.121 1.00 33.43 C ATOM 367 CD2 PHE A 56 28.384 15.289 -2.279 1.00 33.46 C ATOM 368 CE1 PHE A 56 29.112 17.368 -0.637 1.00 34.00 C ATOM 369 CE2 PHE A 56 29.054 16.378 -2.791 1.00 34.45 C ATOM 370 CZ PHE A 56 29.424 17.420 -1.971 1.00 34.02 C ATOM 371 H PHE A 56 28.775 11.779 -1.428 1.00 0.00 H ATOM 372 N ARG A 57 27.054 11.808 2.065 1.00 33.17 N ATOM 373 CA ARG A 57 26.044 10.945 2.639 1.00 34.20 C ATOM 374 C ARG A 57 24.815 11.817 2.810 1.00 31.29 C ATOM 375 O ARG A 57 24.776 12.704 3.677 1.00 28.13 O ATOM 376 CB ARG A 57 26.545 10.350 3.955 1.00 40.73 C ATOM 377 CG ARG A 57 25.536 9.475 4.678 1.00 44.97 C ATOM 378 CD ARG A 57 25.900 9.175 6.131 1.00 49.65 C ATOM 379 NE ARG A 57 27.235 8.610 6.291 1.00 54.15 N ATOM 380 CZ ARG A 57 27.501 7.392 6.761 1.00 59.94 C ATOM 381 NH1 ARG A 57 26.527 6.565 7.143 1.00 63.79 N ATOM 382 NH2 ARG A 57 28.764 7.005 6.878 1.00 61.96 N ATOM 383 HE ARG A 57 28.043 9.205 6.017 1.00 0.00 H ATOM 384 HH12 ARG A 57 26.761 5.619 7.507 1.00 0.00 H ATOM 385 HH11 ARG A 57 25.534 6.866 7.077 1.00 0.00 H ATOM 386 HH22 ARG A 57 28.986 6.057 7.243 1.00 0.00 H ATOM 387 HH21 ARG A 57 29.533 7.650 6.604 1.00 0.00 H ATOM 388 H ARG A 57 27.615 12.415 2.696 1.00 0.00 H ATOM 389 N VAL A 58 23.852 11.608 1.910 1.00 28.61 N ATOM 390 CA VAL A 58 22.695 12.436 1.787 1.00 27.91 C ATOM 391 C VAL A 58 21.550 11.721 2.497 1.00 28.91 C ATOM 392 O VAL A 58 21.288 10.542 2.230 1.00 30.22 O ATOM 393 CB VAL A 58 22.354 12.688 0.293 1.00 27.61 C ATOM 394 CG1 VAL A 58 21.044 13.421 0.145 1.00 27.24 C ATOM 395 CG2 VAL A 58 23.449 13.532 -0.354 1.00 28.06 C ATOM 396 H VAL A 58 23.949 10.799 1.264 1.00 0.00 H ATOM 397 N TRP A 59 20.904 12.435 3.420 1.00 26.59 N ATOM 398 CA TRP A 59 19.682 11.961 4.047 1.00 28.12 C ATOM 399 C TRP A 59 18.517 12.726 3.413 1.00 25.86 C ATOM 400 O TRP A 59 18.560 13.948 3.297 1.00 23.78 O ATOM 401 CB TRP A 59 19.758 12.143 5.578 1.00 28.90 C ATOM 402 CG TRP A 59 20.517 11.046 6.255 1.00 31.92 C ATOM 403 CD1 TRP A 59 21.454 10.232 5.679 1.00 35.28 C ATOM 404 CD2 TRP A 59 20.430 10.640 7.614 1.00 34.33 C ATOM 405 NE1 TRP A 59 21.938 9.323 6.588 1.00 37.28 N ATOM 406 CE2 TRP A 59 21.326 9.550 7.788 1.00 37.15 C ATOM 407 CE3 TRP A 59 19.665 11.057 8.700 1.00 37.30 C ATOM 408 CZ2 TRP A 59 21.485 8.889 9.002 1.00 40.08 C ATOM 409 CZ3 TRP A 59 19.824 10.392 9.919 1.00 39.45 C ATOM 410 CH2 TRP A 59 20.733 9.322 10.055 1.00 41.50 C ATOM 411 HE1 TRP A 59 22.648 8.588 6.396 1.00 0.00 H ATOM 412 H TRP A 59 21.287 13.360 3.700 1.00 0.00 H ATOM 413 N CYS A 60 17.483 12.002 2.996 1.00 26.23 N ATOM 414 CA CYS A 60 16.328 12.617 2.340 1.00 25.63 C ATOM 415 C CYS A 60 15.245 12.959 3.352 1.00 24.96 C ATOM 416 O CYS A 60 14.914 12.148 4.202 1.00 24.93 O ATOM 417 CB CYS A 60 15.745 11.676 1.302 1.00 27.37 C ATOM 418 SG CYS A 60 16.900 11.391 -0.048 1.00 30.63 S ATOM 419 H CYS A 60 17.495 10.972 3.140 1.00 0.00 H ATOM 420 N PHE A 61 14.716 14.174 3.251 1.00 24.16 N ATOM 421 CA PHE A 61 13.667 14.654 4.134 1.00 24.91 C ATOM 422 C PHE A 61 12.520 15.157 3.263 1.00 25.76 C ATOM 423 O PHE A 61 12.761 15.808 2.237 1.00 25.42 O ATOM 424 CB PHE A 61 14.172 15.797 5.029 1.00 23.93 C ATOM 425 CG PHE A 61 15.197 15.392 6.055 1.00 24.62 C ATOM 426 CD1 PHE A 61 16.555 15.405 5.740 1.00 24.46 C ATOM 427 CD2 PHE A 61 14.832 15.092 7.358 1.00 25.46 C ATOM 428 CE1 PHE A 61 17.519 15.088 6.682 1.00 24.12 C ATOM 429 CE2 PHE A 61 15.795 14.779 8.303 1.00 26.51 C ATOM 430 CZ PHE A 61 17.134 14.767 7.964 1.00 25.60 C ATOM 431 H PHE A 61 15.069 14.809 2.507 1.00 0.00 H ATOM 432 N SER A 62 11.290 14.912 3.694 1.00 27.09 N ATOM 433 CA SER A 62 10.116 15.446 2.999 1.00 29.54 C ATOM 434 C SER A 62 10.029 16.952 3.170 1.00 27.87 C ATOM 435 O SER A 62 9.466 17.633 2.322 1.00 26.78 O ATOM 436 CB SER A 62 8.829 14.862 3.560 1.00 33.27 C ATOM 437 OG SER A 62 8.757 13.468 3.340 1.00 37.26 O ATOM 438 HG SER A 62 9.523 13.025 3.783 1.00 0.00 H ATOM 439 H SER A 62 11.156 14.328 4.544 1.00 0.00 H ATOM 440 N LEU A 63 10.542 17.459 4.290 1.00 27.47 N ATOM 441 CA LEU A 63 10.365 18.841 4.665 1.00 27.89 C ATOM 442 C LEU A 63 11.616 19.348 5.384 1.00 28.43 C ATOM 443 O LEU A 63 12.333 18.583 6.030 1.00 28.21 O ATOM 444 CB LEU A 63 9.150 18.883 5.603 1.00 29.62 C ATOM 445 CG LEU A 63 8.625 20.220 6.141 1.00 30.74 C ATOM 446 CD1 LEU A 63 8.424 21.233 5.031 1.00 31.16 C ATOM 447 CD2 LEU A 63 7.343 20.052 6.942 1.00 32.65 C ATOM 448 H LEU A 63 11.090 16.836 4.917 1.00 0.00 H ATOM 449 N ALA A 64 11.887 20.637 5.241 1.00 29.69 N ATOM 450 CA ALA A 64 12.941 21.312 6.003 1.00 29.10 C ATOM 451 C ALA A 64 12.582 22.773 6.116 1.00 29.69 C ATOM 452 O ALA A 64 11.679 23.276 5.427 1.00 32.60 O ATOM 453 CB ALA A 64 14.285 21.176 5.325 1.00 27.29 C ATOM 454 H ALA A 64 11.329 21.192 4.561 1.00 0.00 H ATOM 455 N GLN A 65 13.290 23.451 6.995 1.00 28.89 N ATOM 456 CA GLN A 65 13.082 24.854 7.220 1.00 29.86 C ATOM 457 C GLN A 65 14.427 25.491 7.517 1.00 27.42 C ATOM 458 O GLN A 65 15.413 24.808 7.716 1.00 26.77 O ATOM 459 CB GLN A 65 12.138 25.039 8.403 1.00 34.10 C ATOM 460 CG GLN A 65 12.688 24.495 9.716 1.00 35.55 C ATOM 461 CD GLN A 65 11.744 24.607 10.909 1.00 40.66 C ATOM 462 OE1 GLN A 65 10.867 23.772 11.108 1.00 45.44 O ATOM 463 NE2 GLN A 65 11.954 25.617 11.728 1.00 41.98 N ATOM 464 HE22 GLN A 65 12.708 26.304 11.524 1.00 0.00 H ATOM 465 HE21 GLN A 65 11.366 25.728 12.579 1.00 0.00 H ATOM 466 H GLN A 65 14.022 22.955 7.543 1.00 0.00 H ATOM 467 N GLY A 66 14.467 26.810 7.557 1.00 27.85 N ATOM 468 CA GLY A 66 15.680 27.535 7.958 1.00 28.06 C ATOM 469 C GLY A 66 16.778 27.549 6.908 1.00 28.14 C ATOM 470 O GLY A 66 17.907 27.936 7.217 1.00 27.39 O ATOM 471 H GLY A 66 13.617 27.350 7.298 1.00 0.00 H ATOM 472 N LEU A 67 16.453 27.115 5.689 1.00 27.53 N ATOM 473 CA LEU A 67 17.397 27.079 4.584 1.00 27.98 C ATOM 474 C LEU A 67 17.188 28.288 3.694 1.00 30.48 C ATOM 475 O LEU A 67 16.213 29.018 3.832 1.00 29.31 O ATOM 476 CB LEU A 67 17.212 25.789 3.771 1.00 26.89 C ATOM 477 CG LEU A 67 17.478 24.495 4.546 1.00 26.01 C ATOM 478 CD1 LEU A 67 16.846 23.295 3.877 1.00 26.64 C ATOM 479 CD2 LEU A 67 18.964 24.270 4.787 1.00 24.94 C ATOM 480 H LEU A 67 15.480 26.788 5.522 1.00 0.00 H ATOM 481 N ARG A 68 18.111 28.492 2.769 1.00 32.15 N ATOM 482 CA ARG A 68 17.946 29.485 1.740 1.00 34.25 C ATOM 483 C ARG A 68 18.324 28.805 0.435 1.00 33.76 C ATOM 484 O ARG A 68 19.432 28.293 0.309 1.00 28.90 O ATOM 485 CB ARG A 68 18.836 30.679 2.027 1.00 39.29 C ATOM 486 CG ARG A 68 18.685 31.822 1.047 1.00 46.59 C ATOM 487 CD ARG A 68 19.375 33.092 1.586 1.00 51.72 C ATOM 488 NE ARG A 68 20.732 33.293 1.048 1.00 53.54 N ATOM 489 CZ ARG A 68 21.868 32.966 1.673 1.00 55.81 C ATOM 490 NH1 ARG A 68 23.027 33.213 1.071 1.00 56.61 N ATOM 491 NH2 ARG A 68 21.877 32.402 2.892 1.00 57.51 N ATOM 492 HE ARG A 68 20.813 33.724 0.105 1.00 0.00 H ATOM 493 HH12 ARG A 68 23.921 32.966 1.542 1.00 0.00 H ATOM 494 HH11 ARG A 68 23.040 33.654 0.129 1.00 0.00 H ATOM 495 HH22 ARG A 68 22.781 32.161 3.347 1.00 0.00 H ATOM 496 HH21 ARG A 68 20.980 32.206 3.381 1.00 0.00 H ATOM 497 H ARG A 68 18.979 27.920 2.785 1.00 0.00 H ATOM 498 N LEU A 69 17.382 28.755 -0.514 1.00 34.73 N ATOM 499 CA LEU A 69 17.587 28.021 -1.772 1.00 36.29 C ATOM 500 C LEU A 69 18.120 28.970 -2.824 1.00 38.97 C ATOM 501 O LEU A 69 17.546 30.019 -3.051 1.00 43.12 O ATOM 502 CB LEU A 69 16.287 27.351 -2.240 1.00 37.04 C ATOM 503 CG LEU A 69 15.625 26.441 -1.187 1.00 35.86 C ATOM 504 CD1 LEU A 69 14.412 25.716 -1.756 1.00 37.70 C ATOM 505 CD2 LEU A 69 16.615 25.430 -0.630 1.00 33.82 C ATOM 506 H LEU A 69 16.480 29.249 -0.358 1.00 0.00 H ATOM 507 N ILE A 70 19.231 28.610 -3.453 1.00 39.73 N ATOM 508 CA ILE A 70 19.935 29.527 -4.337 1.00 42.40 C ATOM 509 C ILE A 70 19.766 29.146 -5.805 1.00 42.55 C ATOM 510 O ILE A 70 19.876 27.979 -6.176 1.00 39.47 O ATOM 511 CB ILE A 70 21.443 29.580 -4.014 1.00 43.65 C ATOM 512 CG1 ILE A 70 21.662 29.981 -2.560 1.00 45.44 C ATOM 513 CG2 ILE A 70 22.156 30.581 -4.916 1.00 48.75 C ATOM 514 CD1 ILE A 70 21.025 31.300 -2.164 1.00 47.36 C ATOM 515 H ILE A 70 19.607 27.651 -3.311 1.00 0.00 H ATOM 516 N GLY A 71 19.531 30.159 -6.632 1.00 45.32 N ATOM 517 CA GLY A 71 19.460 29.986 -8.070 1.00 47.09 C ATOM 518 C GLY A 71 18.192 29.290 -8.504 1.00 47.00 C ATOM 519 O GLY A 71 17.263 29.096 -7.716 1.00 47.83 O ATOM 520 H GLY A 71 19.393 31.110 -6.234 1.00 0.00 H ATOM 521 N ALA A 72 18.160 28.919 -9.777 1.00 47.94 N ATOM 522 CA ALA A 72 17.003 28.274 -10.365 1.00 47.24 C ATOM 523 C ALA A 72 17.317 26.785 -10.502 1.00 43.66 C ATOM 524 O ALA A 72 18.486 26.411 -10.630 1.00 43.36 O ATOM 525 CB ALA A 72 16.683 28.892 -11.724 1.00 50.40 C ATOM 526 H ALA A 72 18.993 29.097 -10.373 1.00 0.00 H ATOM 527 N PRO A 73 16.279 25.936 -10.494 1.00 39.99 N ATOM 528 CA PRO A 73 16.512 24.500 -10.565 1.00 38.05 C ATOM 529 C PRO A 73 17.288 24.055 -11.804 1.00 37.57 C ATOM 530 O PRO A 73 17.176 24.675 -12.865 1.00 40.14 O ATOM 531 CB PRO A 73 15.094 23.910 -10.578 1.00 38.92 C ATOM 532 CG PRO A 73 14.220 24.994 -10.055 1.00 40.16 C ATOM 533 CD PRO A 73 14.842 26.265 -10.523 1.00 41.38 C ATOM 534 N SER A 74 18.042 22.973 -11.653 1.00 35.02 N ATOM 535 CA SER A 74 18.802 22.367 -12.726 1.00 36.93 C ATOM 536 C SER A 74 18.662 20.842 -12.655 1.00 36.24 C ATOM 537 O SER A 74 18.716 20.267 -11.572 1.00 34.85 O ATOM 538 CB SER A 74 20.282 22.751 -12.604 1.00 37.12 C ATOM 539 OG SER A 74 21.047 22.050 -13.576 1.00 40.00 O ATOM 540 HG SER A 74 22.000 22.304 -13.490 1.00 0.00 H ATOM 541 H SER A 74 18.090 22.536 -10.711 1.00 0.00 H ATOM 542 N GLY A 75 18.463 20.205 -13.802 1.00 37.66 N ATOM 543 CA GLY A 75 18.482 18.746 -13.907 1.00 37.84 C ATOM 544 C GLY A 75 19.880 18.137 -14.075 1.00 39.21 C ATOM 545 O GLY A 75 20.044 16.936 -13.950 1.00 38.55 O ATOM 546 H GLY A 75 18.287 20.765 -14.660 1.00 0.00 H ATOM 547 N GLU A 76 20.893 18.956 -14.355 1.00 41.94 N ATOM 548 CA GLU A 76 22.239 18.434 -14.661 1.00 44.39 C ATOM 549 C GLU A 76 22.846 17.630 -13.514 1.00 41.49 C ATOM 550 O GLU A 76 22.905 18.104 -12.385 1.00 38.32 O ATOM 551 CB GLU A 76 23.166 19.582 -15.032 1.00 48.01 C ATOM 552 CG GLU A 76 22.873 20.145 -16.406 1.00 54.76 C ATOM 553 CD GLU A 76 23.474 21.514 -16.654 1.00 59.86 C ATOM 554 OE1 GLU A 76 24.164 22.065 -15.772 1.00 61.07 O ATOM 555 OE2 GLU A 76 23.260 22.035 -17.769 1.00 67.00 O ATOM 556 H GLU A 76 20.732 19.983 -14.358 1.00 0.00 H ATOM 557 N PHE A 77 23.265 16.402 -13.818 1.00 41.69 N ATOM 558 CA PHE A 77 23.908 15.491 -12.868 1.00 41.08 C ATOM 559 C PHE A 77 23.016 15.067 -11.686 1.00 39.28 C ATOM 560 O PHE A 77 23.542 14.602 -10.655 1.00 38.78 O ATOM 561 CB PHE A 77 25.199 16.107 -12.289 1.00 42.30 C ATOM 562 CG PHE A 77 26.220 16.527 -13.320 1.00 46.14 C ATOM 563 CD1 PHE A 77 26.873 15.580 -14.093 1.00 49.35 C ATOM 564 CD2 PHE A 77 26.573 17.861 -13.465 1.00 47.56 C ATOM 565 CE1 PHE A 77 27.830 15.952 -15.028 1.00 53.19 C ATOM 566 CE2 PHE A 77 27.529 18.243 -14.393 1.00 50.18 C ATOM 567 CZ PHE A 77 28.164 17.288 -15.172 1.00 53.21 C ATOM 568 H PHE A 77 23.126 16.069 -14.793 1.00 0.00 H ATOM 569 N SER A 78 21.699 15.228 -11.796 1.00 36.89 N ATOM 570 CA SER A 78 20.815 14.935 -10.662 1.00 35.33 C ATOM 571 C SER A 78 20.967 13.503 -10.213 1.00 35.40 C ATOM 572 O SER A 78 20.927 12.590 -11.032 1.00 38.16 O ATOM 573 CB SER A 78 19.336 15.179 -10.977 1.00 34.25 C ATOM 574 OG SER A 78 18.560 14.987 -9.779 1.00 32.56 O ATOM 575 HG SER A 78 17.603 15.144 -9.978 1.00 0.00 H ATOM 576 H SER A 78 21.294 15.564 -12.693 1.00 0.00 H ATOM 577 N TRP A 79 21.121 13.318 -8.908 1.00 33.94 N ATOM 578 CA TRP A 79 21.213 11.993 -8.321 1.00 33.93 C ATOM 579 C TRP A 79 19.889 11.284 -8.266 1.00 34.16 C ATOM 580 O TRP A 79 19.856 10.100 -8.012 1.00 34.08 O ATOM 581 CB TRP A 79 21.769 12.074 -6.900 1.00 33.71 C ATOM 582 CG TRP A 79 23.193 12.498 -6.842 1.00 34.10 C ATOM 583 CD1 TRP A 79 24.228 12.030 -7.599 1.00 37.05 C ATOM 584 CD2 TRP A 79 23.750 13.474 -5.961 1.00 34.60 C ATOM 585 NE1 TRP A 79 25.401 12.669 -7.253 1.00 37.43 N ATOM 586 CE2 TRP A 79 25.133 13.554 -6.244 1.00 35.59 C ATOM 587 CE3 TRP A 79 23.211 14.297 -4.960 1.00 32.62 C ATOM 588 CZ2 TRP A 79 25.975 14.417 -5.566 1.00 35.77 C ATOM 589 CZ3 TRP A 79 24.041 15.149 -4.293 1.00 33.33 C ATOM 590 CH2 TRP A 79 25.418 15.206 -4.595 1.00 35.13 C ATOM 591 HE1 TRP A 79 26.332 12.506 -7.686 1.00 0.00 H ATOM 592 H TRP A 79 21.178 14.149 -8.285 1.00 0.00 H ATOM 593 N PHE A 80 18.791 12.014 -8.455 1.00 34.63 N ATOM 594 CA PHE A 80 17.462 11.444 -8.309 1.00 33.81 C ATOM 595 C PHE A 80 16.692 11.682 -9.583 1.00 34.09 C ATOM 596 O PHE A 80 16.421 12.824 -9.941 1.00 33.00 O ATOM 597 CB PHE A 80 16.737 12.060 -7.117 1.00 32.74 C ATOM 598 CG PHE A 80 17.449 11.863 -5.815 1.00 32.81 C ATOM 599 CD1 PHE A 80 17.243 10.701 -5.061 1.00 33.91 C ATOM 600 CD2 PHE A 80 18.285 12.836 -5.331 1.00 30.83 C ATOM 601 CE1 PHE A 80 17.875 10.533 -3.849 1.00 33.10 C ATOM 602 CE2 PHE A 80 18.924 12.671 -4.116 1.00 30.47 C ATOM 603 CZ PHE A 80 18.712 11.515 -3.380 1.00 31.35 C ATOM 604 H PHE A 80 18.887 13.017 -8.713 1.00 0.00 H ATOM 605 N LYS A 81 16.361 10.585 -10.250 1.00 35.75 N ATOM 606 CA LYS A 81 15.788 10.630 -11.573 1.00 39.13 C ATOM 607 C LYS A 81 14.458 11.394 -11.599 1.00 37.17 C ATOM 608 O LYS A 81 13.592 11.160 -10.775 1.00 35.58 O ATOM 609 CB LYS A 81 15.600 9.203 -12.096 1.00 44.38 C ATOM 610 CG LYS A 81 15.398 9.117 -13.602 1.00 49.96 C ATOM 611 CD LYS A 81 15.531 7.696 -14.144 1.00 54.68 C ATOM 612 CE LYS A 81 14.191 7.133 -14.610 1.00 59.56 C ATOM 613 NZ LYS A 81 13.681 7.871 -15.810 1.00 61.77 N ATOM 614 HZ1 LYS A 81 13.554 8.875 -15.570 1.00 0.00 H ATOM 615 HZ2 LYS A 81 14.367 7.783 -16.587 1.00 0.00 H ATOM 616 HZ3 LYS A 81 12.769 7.466 -16.103 1.00 0.00 H ATOM 617 H LYS A 81 16.520 9.659 -9.804 1.00 0.00 H ATOM 618 N GLY A 82 14.323 12.316 -12.547 1.00 36.63 N ATOM 619 CA GLY A 82 13.108 13.117 -12.707 1.00 35.79 C ATOM 620 C GLY A 82 13.106 14.381 -11.856 1.00 33.06 C ATOM 621 O GLY A 82 12.188 15.194 -11.961 1.00 32.25 O ATOM 622 H GLY A 82 15.114 12.475 -13.203 1.00 0.00 H ATOM 623 N TYR A 83 14.135 14.569 -11.030 1.00 30.91 N ATOM 624 CA TYR A 83 14.182 15.730 -10.173 1.00 29.47 C ATOM 625 C TYR A 83 15.275 16.680 -10.602 1.00 29.79 C ATOM 626 O TYR A 83 16.375 16.253 -10.951 1.00 30.46 O ATOM 627 CB TYR A 83 14.414 15.331 -8.718 1.00 28.13 C ATOM 628 CG TYR A 83 13.288 14.538 -8.106 1.00 28.43 C ATOM 629 CD1 TYR A 83 12.230 15.174 -7.462 1.00 28.29 C ATOM 630 CD2 TYR A 83 13.290 13.148 -8.146 1.00 29.04 C ATOM 631 CE1 TYR A 83 11.197 14.443 -6.890 1.00 28.66 C ATOM 632 CE2 TYR A 83 12.267 12.409 -7.580 1.00 29.86 C ATOM 633 CZ TYR A 83 11.217 13.052 -6.953 1.00 29.61 C ATOM 634 OH TYR A 83 10.216 12.284 -6.412 1.00 31.16 O ATOM 635 HH TYR A 83 9.536 12.873 -5.999 1.00 0.00 H ATOM 636 H TYR A 83 14.909 13.875 -11.003 1.00 0.00 H ATOM 637 N ASP A 84 14.965 17.971 -10.475 1.00 29.69 N ATOM 638 CA ASP A 84 15.876 19.074 -10.628 1.00 29.98 C ATOM 639 C ASP A 84 16.255 19.610 -9.254 1.00 29.00 C ATOM 640 O ASP A 84 15.444 19.583 -8.333 1.00 28.13 O ATOM 641 CB ASP A 84 15.174 20.162 -11.413 1.00 32.19 C ATOM 642 CG ASP A 84 14.575 19.602 -12.697 1.00 35.08 C ATOM 643 OD1 ASP A 84 15.312 18.913 -13.445 1.00 35.76 O ATOM 644 OD2 ASP A 84 13.353 19.756 -12.916 1.00 37.87 O ATOM 645 H ASP A 84 13.977 18.201 -10.245 1.00 0.00 H ATOM 646 N TRP A 85 17.487 20.094 -9.133 1.00 28.25 N ATOM 647 CA TRP A 85 18.032 20.484 -7.847 1.00 27.14 C ATOM 648 C TRP A 85 18.304 21.962 -7.797 1.00 28.23 C ATOM 649 O TRP A 85 18.582 22.599 -8.828 1.00 29.65 O ATOM 650 CB TRP A 85 19.320 19.694 -7.510 1.00 26.36 C ATOM 651 CG TRP A 85 20.383 19.758 -8.547 1.00 27.00 C ATOM 652 CD1 TRP A 85 20.586 18.870 -9.537 1.00 28.98 C ATOM 653 CD2 TRP A 85 21.374 20.787 -8.715 1.00 28.35 C ATOM 654 NE1 TRP A 85 21.631 19.282 -10.339 1.00 30.56 N ATOM 655 CE2 TRP A 85 22.135 20.452 -9.848 1.00 30.35 C ATOM 656 CE3 TRP A 85 21.689 21.959 -8.017 1.00 28.55 C ATOM 657 CZ2 TRP A 85 23.198 21.235 -10.307 1.00 31.96 C ATOM 658 CZ3 TRP A 85 22.752 22.737 -8.474 1.00 30.33 C ATOM 659 CH2 TRP A 85 23.497 22.363 -9.609 1.00 31.51 C ATOM 660 HE1 TRP A 85 21.979 18.782 -11.182 1.00 0.00 H ATOM 661 H TRP A 85 18.076 20.196 -9.984 1.00 0.00 H ATOM 662 N THR A 86 18.203 22.509 -6.590 1.00 27.85 N ATOM 663 CA THR A 86 18.739 23.829 -6.268 1.00 30.46 C ATOM 664 C THR A 86 19.544 23.675 -4.996 1.00 28.84 C ATOM 665 O THR A 86 19.177 22.912 -4.125 1.00 29.52 O ATOM 666 CB THR A 86 17.649 24.874 -5.996 1.00 32.89 C ATOM 667 OG1 THR A 86 16.866 24.447 -4.883 1.00 36.41 O ATOM 668 CG2 THR A 86 16.758 25.043 -7.183 1.00 34.82 C ATOM 669 HG1 THR A 86 17.448 24.355 -4.087 1.00 0.00 H ATOM 670 H THR A 86 17.720 21.973 -5.841 1.00 0.00 H ATOM 671 N ILE A 87 20.650 24.394 -4.911 1.00 29.49 N ATOM 672 CA ILE A 87 21.514 24.389 -3.738 1.00 28.22 C ATOM 673 C ILE A 87 20.771 24.956 -2.539 1.00 27.25 C ATOM 674 O ILE A 87 20.110 25.997 -2.640 1.00 28.37 O ATOM 675 CB ILE A 87 22.789 25.206 -4.027 1.00 30.00 C ATOM 676 CG1 ILE A 87 23.691 24.409 -4.989 1.00 31.68 C ATOM 677 CG2 ILE A 87 23.548 25.522 -2.737 1.00 30.13 C ATOM 678 CD1 ILE A 87 24.766 25.238 -5.661 1.00 34.48 C ATOM 679 H ILE A 87 20.916 24.991 -5.720 1.00 0.00 H ATOM 680 N ALA A 88 20.884 24.259 -1.410 1.00 25.30 N ATOM 681 CA ALA A 88 20.283 24.685 -0.157 1.00 24.69 C ATOM 682 C ALA A 88 21.379 25.064 0.842 1.00 24.12 C ATOM 683 O ALA A 88 22.186 24.225 1.271 1.00 23.76 O ATOM 684 CB ALA A 88 19.392 23.591 0.419 1.00 24.08 C ATOM 685 H ALA A 88 21.426 23.371 -1.425 1.00 0.00 H ATOM 686 N LEU A 89 21.411 26.338 1.199 1.00 24.05 N ATOM 687 CA LEU A 89 22.303 26.824 2.246 1.00 24.93 C ATOM 688 C LEU A 89 21.545 26.969 3.557 1.00 23.92 C ATOM 689 O LEU A 89 20.337 27.186 3.558 1.00 25.53 O ATOM 690 CB LEU A 89 22.882 28.197 1.865 1.00 26.52 C ATOM 691 CG LEU A 89 23.593 28.298 0.530 1.00 27.88 C ATOM 692 CD1 LEU A 89 24.182 29.701 0.390 1.00 30.75 C ATOM 693 CD2 LEU A 89 24.668 27.222 0.400 1.00 27.27 C ATOM 694 H LEU A 89 20.782 27.013 0.719 1.00 0.00 H ATOM 695 N CYS A 90 22.273 26.896 4.661 1.00 23.47 N ATOM 696 CA CYS A 90 21.746 27.336 5.932 1.00 22.97 C ATOM 697 C CYS A 90 21.360 28.799 5.779 1.00 23.39 C ATOM 698 O CYS A 90 22.193 29.593 5.384 1.00 22.71 O ATOM 699 CB CYS A 90 22.812 27.211 7.022 1.00 22.87 C ATOM 700 SG CYS A 90 22.213 27.831 8.618 1.00 23.77 S ATOM 701 H CYS A 90 23.240 26.516 4.612 1.00 0.00 H ATOM 702 N GLY A 91 20.105 29.149 6.112 1.00 23.08 N ATOM 703 CA GLY A 91 19.632 30.517 5.982 1.00 25.10 C ATOM 704 C GLY A 91 20.268 31.469 6.961 1.00 26.38 C ATOM 705 O GLY A 91 20.263 32.669 6.749 1.00 29.03 O ATOM 706 H GLY A 91 19.455 28.421 6.472 1.00 0.00 H ATOM 707 N GLN A 92 20.821 30.936 8.046 1.00 25.95 N ATOM 708 CA GLN A 92 21.455 31.762 9.051 1.00 26.32 C ATOM 709 C GLN A 92 22.930 32.012 8.707 1.00 26.61 C ATOM 710 O GLN A 92 23.347 33.164 8.642 1.00 28.03 O ATOM 711 CB GLN A 92 21.318 31.107 10.431 1.00 25.09 C ATOM 712 CG GLN A 92 21.765 31.961 11.596 1.00 27.01 C ATOM 713 CD GLN A 92 21.151 31.516 12.909 1.00 27.34 C ATOM 714 OE1 GLN A 92 20.208 32.142 13.394 1.00 29.97 O ATOM 715 NE2 GLN A 92 21.688 30.440 13.501 1.00 26.09 N ATOM 716 HE22 GLN A 92 22.484 29.943 13.053 1.00 0.00 H ATOM 717 HE21 GLN A 92 21.308 30.102 14.408 1.00 0.00 H ATOM 718 H GLN A 92 20.798 29.904 8.175 1.00 0.00 H ATOM 719 N CYS A 93 23.720 30.948 8.535 1.00 26.21 N ATOM 720 CA CYS A 93 25.174 31.075 8.395 1.00 27.84 C ATOM 721 C CYS A 93 25.710 30.886 6.979 1.00 28.41 C ATOM 722 O CYS A 93 26.878 31.184 6.741 1.00 30.35 O ATOM 723 CB CYS A 93 25.957 30.129 9.339 1.00 26.95 C ATOM 724 SG CYS A 93 25.977 28.398 8.851 1.00 25.51 S ATOM 725 H CYS A 93 23.291 30.001 8.499 1.00 0.00 H ATOM 726 N GLY A 94 24.887 30.407 6.060 1.00 27.44 N ATOM 727 CA GLY A 94 25.322 30.203 4.692 1.00 29.00 C ATOM 728 C GLY A 94 26.043 28.881 4.432 1.00 28.93 C ATOM 729 O GLY A 94 26.484 28.643 3.320 1.00 30.47 O ATOM 730 H GLY A 94 23.909 30.172 6.324 1.00 0.00 H ATOM 731 N SER A 95 26.155 28.018 5.433 1.00 26.37 N ATOM 732 CA SER A 95 26.800 26.726 5.250 1.00 27.21 C ATOM 733 C SER A 95 26.011 25.914 4.208 1.00 26.39 C ATOM 734 O SER A 95 24.780 25.932 4.191 1.00 22.34 O ATOM 735 CB SER A 95 26.865 25.976 6.580 1.00 27.81 C ATOM 736 OG SER A 95 27.249 24.623 6.437 1.00 28.20 O ATOM 737 HG SER A 95 27.273 24.192 7.328 1.00 0.00 H ATOM 738 H SER A 95 25.774 28.270 6.368 1.00 0.00 H ATOM 739 N HIS A 96 26.722 25.214 3.330 1.00 25.40 N ATOM 740 CA HIS A 96 26.048 24.399 2.324 1.00 25.76 C ATOM 741 C HIS A 96 25.528 23.111 2.940 1.00 24.40 C ATOM 742 O HIS A 96 26.316 22.232 3.299 1.00 24.54 O ATOM 743 CB HIS A 96 26.994 24.077 1.167 1.00 28.51 C ATOM 744 CG HIS A 96 26.367 23.194 0.141 1.00 29.81 C ATOM 745 ND1 HIS A 96 27.073 22.248 -0.563 1.00 32.89 N ATOM 746 CD2 HIS A 96 25.085 23.087 -0.269 1.00 30.13 C ATOM 747 CE1 HIS A 96 26.258 21.608 -1.376 1.00 31.58 C ATOM 748 NE2 HIS A 96 25.046 22.096 -1.216 1.00 31.18 N ATOM 749 H HIS A 96 27.761 25.247 3.360 1.00 0.00 H ATOM 750 N LEU A 97 24.219 23.009 3.100 1.00 23.53 N ATOM 751 CA LEU A 97 23.629 21.888 3.841 1.00 22.32 C ATOM 752 C LEU A 97 23.046 20.800 2.947 1.00 22.16 C ATOM 753 O LEU A 97 22.826 19.682 3.405 1.00 21.45 O ATOM 754 CB LEU A 97 22.562 22.391 4.815 1.00 21.93 C ATOM 755 CG LEU A 97 23.050 23.259 5.970 1.00 21.89 C ATOM 756 CD1 LEU A 97 21.895 23.526 6.937 1.00 23.63 C ATOM 757 CD2 LEU A 97 24.209 22.612 6.713 1.00 23.21 C ATOM 758 H LEU A 97 23.597 23.736 2.693 1.00 0.00 H ATOM 759 N GLY A 98 22.796 21.114 1.675 1.00 22.54 N ATOM 760 CA GLY A 98 22.308 20.105 0.752 1.00 22.86 C ATOM 761 C GLY A 98 21.644 20.721 -0.466 1.00 22.22 C ATOM 762 O GLY A 98 22.107 21.710 -1.005 1.00 22.50 O ATOM 763 H GLY A 98 22.951 22.087 1.342 1.00 0.00 H ATOM 764 N TRP A 99 20.584 20.077 -0.909 1.00 23.48 N ATOM 765 CA TRP A 99 19.845 20.483 -2.107 1.00 23.50 C ATOM 766 C TRP A 99 18.350 20.296 -1.878 1.00 23.48 C ATOM 767 O TRP A 99 17.925 19.396 -1.141 1.00 23.36 O ATOM 768 CB TRP A 99 20.312 19.636 -3.306 1.00 24.15 C ATOM 769 CG TRP A 99 21.796 19.735 -3.566 1.00 24.31 C ATOM 770 CD1 TRP A 99 22.416 20.584 -4.431 1.00 24.92 C ATOM 771 CD2 TRP A 99 22.828 18.981 -2.934 1.00 23.94 C ATOM 772 NE1 TRP A 99 23.759 20.401 -4.384 1.00 25.98 N ATOM 773 CE2 TRP A 99 24.043 19.415 -3.473 1.00 25.56 C ATOM 774 CE3 TRP A 99 22.840 17.960 -1.964 1.00 24.12 C ATOM 775 CZ2 TRP A 99 25.276 18.878 -3.071 1.00 26.32 C ATOM 776 CZ3 TRP A 99 24.050 17.443 -1.555 1.00 24.30 C ATOM 777 CH2 TRP A 99 25.253 17.896 -2.112 1.00 25.70 C ATOM 778 HE1 TRP A 99 24.460 20.923 -4.947 1.00 0.00 H ATOM 779 H TRP A 99 20.256 19.241 -0.384 1.00 0.00 H ATOM 780 N HIS A 100 17.561 21.171 -2.503 1.00 23.62 N ATOM 781 CA HIS A 100 16.148 20.978 -2.640 1.00 25.34 C ATOM 782 C HIS A 100 15.877 20.363 -4.029 1.00 25.68 C ATOM 783 O HIS A 100 16.479 20.772 -5.034 1.00 26.26 O ATOM 784 CB HIS A 100 15.397 22.313 -2.531 1.00 26.93 C ATOM 785 CG HIS A 100 13.913 22.159 -2.512 1.00 27.78 C ATOM 786 ND1 HIS A 100 13.085 22.734 -3.450 1.00 30.61 N ATOM 787 CD2 HIS A 100 13.106 21.484 -1.663 1.00 29.10 C ATOM 788 CE1 HIS A 100 11.834 22.408 -3.189 1.00 30.59 C ATOM 789 NE2 HIS A 100 11.820 21.663 -2.101 1.00 29.88 N ATOM 790 H HIS A 100 17.989 22.028 -2.907 1.00 0.00 H ATOM 791 N TYR A 101 15.009 19.357 -4.060 1.00 25.34 N ATOM 792 CA TYR A 101 14.635 18.673 -5.279 1.00 25.89 C ATOM 793 C TYR A 101 13.183 18.967 -5.638 1.00 28.16 C ATOM 794 O TYR A 101 12.317 19.023 -4.768 1.00 26.80 O ATOM 795 CB TYR A 101 14.887 17.163 -5.152 1.00 25.51 C ATOM 796 CG TYR A 101 16.354 16.857 -5.136 1.00 24.49 C ATOM 797 CD1 TYR A 101 17.070 16.645 -6.315 1.00 25.12 C ATOM 798 CD2 TYR A 101 17.046 16.813 -3.926 1.00 23.83 C ATOM 799 CE1 TYR A 101 18.433 16.368 -6.296 1.00 25.46 C ATOM 800 CE2 TYR A 101 18.399 16.536 -3.893 1.00 22.97 C ATOM 801 CZ TYR A 101 19.095 16.330 -5.061 1.00 24.78 C ATOM 802 OH TYR A 101 20.447 16.081 -4.995 1.00 23.65 O ATOM 803 HH TYR A 101 20.803 15.955 -5.910 1.00 0.00 H ATOM 804 H TYR A 101 14.578 19.047 -3.166 1.00 0.00 H ATOM 805 N GLU A 102 12.930 19.166 -6.924 1.00 30.02 N ATOM 806 CA GLU A 102 11.586 19.468 -7.402 1.00 32.72 C ATOM 807 C GLU A 102 11.407 19.010 -8.842 1.00 32.14 C ATOM 808 O GLU A 102 12.321 18.443 -9.452 1.00 30.19 O ATOM 809 CB GLU A 102 11.329 20.969 -7.293 1.00 37.32 C ATOM 810 CG GLU A 102 12.085 21.805 -8.323 1.00 41.68 C ATOM 811 CD GLU A 102 11.863 23.298 -8.134 1.00 47.77 C ATOM 812 OE1 GLU A 102 12.303 23.841 -7.097 1.00 50.53 O ATOM 813 OE2 GLU A 102 11.226 23.922 -9.020 1.00 54.18 O ATOM 814 H GLU A 102 13.710 19.105 -7.609 1.00 0.00 H ATOM 815 N GLY A 103 10.218 19.235 -9.378 1.00 32.26 N ATOM 816 CA GLY A 103 9.915 18.862 -10.746 1.00 33.61 C ATOM 817 C GLY A 103 9.687 17.371 -10.986 1.00 33.83 C ATOM 818 O GLY A 103 9.439 16.969 -12.124 1.00 34.12 O ATOM 819 H GLY A 103 9.482 19.691 -8.803 1.00 0.00 H ATOM 820 N GLY A 104 9.720 16.553 -9.926 1.00 32.77 N ATOM 821 CA GLY A 104 9.498 15.109 -10.048 1.00 33.74 C ATOM 822 C GLY A 104 8.100 14.654 -9.715 1.00 35.23 C ATOM 823 O GLY A 104 7.128 15.411 -9.845 1.00 37.64 O ATOM 824 H GLY A 104 9.909 16.955 -8.986 1.00 0.00 H ATOM 825 N SER A 105 8.011 13.393 -9.294 1.00 35.74 N ATOM 826 CA SER A 105 6.739 12.735 -9.026 1.00 37.24 C ATOM 827 C SER A 105 6.792 11.867 -7.766 1.00 37.62 C ATOM 828 O SER A 105 7.721 11.091 -7.590 1.00 37.87 O ATOM 829 CB SER A 105 6.385 11.847 -10.220 1.00 39.59 C ATOM 830 OG SER A 105 6.076 12.620 -11.370 1.00 39.83 O ATOM 831 HG SER A 105 5.852 12.016 -12.122 1.00 0.00 H ATOM 832 H SER A 105 8.889 12.854 -9.150 1.00 0.00 H ATOM 833 N GLN A 106 5.796 12.003 -6.900 1.00 38.80 N ATOM 834 CA GLN A 106 5.615 11.126 -5.746 1.00 39.97 C ATOM 835 C GLN A 106 6.891 10.929 -4.912 1.00 37.47 C ATOM 836 O GLN A 106 7.425 9.836 -4.837 1.00 37.66 O ATOM 837 CB GLN A 106 5.009 9.776 -6.191 1.00 44.90 C ATOM 838 CG GLN A 106 4.480 8.968 -5.007 1.00 48.42 C ATOM 839 CD GLN A 106 3.503 7.872 -5.368 1.00 52.37 C ATOM 840 OE1 GLN A 106 3.173 7.650 -6.534 1.00 55.70 O ATOM 841 NE2 GLN A 106 3.019 7.178 -4.351 1.00 56.39 N ATOM 842 HE22 GLN A 106 3.323 7.397 -3.381 1.00 0.00 H ATOM 843 HE21 GLN A 106 2.334 6.414 -4.522 1.00 0.00 H ATOM 844 H GLN A 106 5.111 12.771 -7.050 1.00 0.00 H ATOM 845 N PRO A 107 7.359 11.999 -4.260 1.00 33.84 N ATOM 846 CA PRO A 107 6.744 13.314 -4.161 1.00 33.59 C ATOM 847 C PRO A 107 7.254 14.266 -5.233 1.00 32.66 C ATOM 848 O PRO A 107 8.312 14.030 -5.812 1.00 31.43 O ATOM 849 CB PRO A 107 7.193 13.778 -2.782 1.00 32.66 C ATOM 850 CG PRO A 107 8.573 13.208 -2.660 1.00 31.79 C ATOM 851 CD PRO A 107 8.541 11.898 -3.398 1.00 33.78 C ATOM 852 N GLN A 108 6.542 15.362 -5.454 1.00 32.76 N ATOM 853 CA GLN A 108 7.000 16.365 -6.410 1.00 32.74 C ATOM 854 C GLN A 108 8.307 17.012 -5.961 1.00 30.93 C ATOM 855 O GLN A 108 9.155 17.339 -6.788 1.00 29.85 O ATOM 856 CB GLN A 108 5.917 17.418 -6.657 1.00 33.94 C ATOM 857 CG GLN A 108 4.744 16.900 -7.448 1.00 36.52 C ATOM 858 CD GLN A 108 3.687 17.976 -7.637 1.00 38.98 C ATOM 859 OE1 GLN A 108 3.456 18.789 -6.744 1.00 39.71 O ATOM 860 NE2 GLN A 108 3.028 17.976 -8.777 1.00 41.74 N ATOM 861 HE22 GLN A 108 3.253 17.271 -9.508 1.00 0.00 H ATOM 862 HE21 GLN A 108 2.282 18.681 -8.947 1.00 0.00 H ATOM 863 H GLN A 108 5.649 15.508 -4.942 1.00 0.00 H ATOM 864 N THR A 109 8.453 17.207 -4.650 1.00 31.12 N ATOM 865 CA THR A 109 9.613 17.856 -4.047 1.00 29.89 C ATOM 866 C THR A 109 10.084 17.133 -2.783 1.00 30.02 C ATOM 867 O THR A 109 9.282 16.482 -2.121 1.00 32.18 O ATOM 868 CB THR A 109 9.277 19.287 -3.573 1.00 30.70 C ATOM 869 OG1 THR A 109 8.291 19.231 -2.537 1.00 31.40 O ATOM 870 CG2 THR A 109 8.718 20.092 -4.710 1.00 32.52 C ATOM 871 HG1 THR A 109 8.644 18.706 -1.775 1.00 0.00 H ATOM 872 H THR A 109 7.695 16.877 -4.019 1.00 0.00 H ATOM 873 N PHE A 110 11.362 17.327 -2.439 1.00 27.63 N ATOM 874 CA PHE A 110 11.975 16.884 -1.154 1.00 26.77 C ATOM 875 C PHE A 110 13.363 17.511 -0.985 1.00 25.60 C ATOM 876 O PHE A 110 13.864 18.201 -1.899 1.00 25.00 O ATOM 877 CB PHE A 110 12.075 15.357 -1.082 1.00 26.72 C ATOM 878 CG PHE A 110 13.057 14.762 -2.051 1.00 25.98 C ATOM 879 CD1 PHE A 110 12.706 14.574 -3.376 1.00 26.68 C ATOM 880 CD2 PHE A 110 14.329 14.410 -1.650 1.00 25.90 C ATOM 881 CE1 PHE A 110 13.605 14.034 -4.282 1.00 27.43 C ATOM 882 CE2 PHE A 110 15.231 13.870 -2.558 1.00 26.03 C ATOM 883 CZ PHE A 110 14.863 13.680 -3.875 1.00 26.67 C ATOM 884 H PHE A 110 11.973 17.824 -3.118 1.00 0.00 H ATOM 885 N PHE A 111 13.983 17.270 0.180 1.00 24.97 N ATOM 886 CA PHE A 111 15.307 17.785 0.479 1.00 23.82 C ATOM 887 C PHE A 111 16.297 16.649 0.631 1.00 23.37 C ATOM 888 O PHE A 111 16.017 15.651 1.277 1.00 22.55 O ATOM 889 CB PHE A 111 15.314 18.588 1.784 1.00 25.02 C ATOM 890 CG PHE A 111 14.578 19.881 1.701 1.00 25.38 C ATOM 891 CD1 PHE A 111 13.215 19.938 1.931 1.00 29.40 C ATOM 892 CD2 PHE A 111 15.255 21.049 1.409 1.00 27.90 C ATOM 893 CE1 PHE A 111 12.518 21.152 1.847 1.00 31.05 C ATOM 894 CE2 PHE A 111 14.582 22.263 1.334 1.00 29.45 C ATOM 895 CZ PHE A 111 13.221 22.319 1.564 1.00 30.16 C ATOM 896 H PHE A 111 13.497 16.693 0.896 1.00 0.00 H ATOM 897 N GLY A 112 17.463 16.823 0.033 1.00 22.92 N ATOM 898 CA GLY A 112 18.585 15.928 0.258 1.00 24.59 C ATOM 899 C GLY A 112 19.635 16.692 1.043 1.00 23.57 C ATOM 900 O GLY A 112 20.292 17.596 0.497 1.00 23.65 O ATOM 901 H GLY A 112 17.581 17.625 -0.618 1.00 0.00 H ATOM 902 N LEU A 113 19.799 16.335 2.312 1.00 22.48 N ATOM 903 CA LEU A 113 20.674 17.093 3.208 1.00 22.07 C ATOM 904 C LEU A 113 21.882 16.263 3.573 1.00 23.47 C ATOM 905 O LEU A 113 21.803 15.040 3.704 1.00 23.56 O ATOM 906 CB LEU A 113 19.922 17.538 4.475 1.00 21.88 C ATOM 907 CG LEU A 113 18.695 18.448 4.233 1.00 22.44 C ATOM 908 CD1 LEU A 113 18.050 18.835 5.555 1.00 23.39 C ATOM 909 CD2 LEU A 113 19.049 19.694 3.442 1.00 22.73 C ATOM 910 H LEU A 113 19.296 15.501 2.676 1.00 0.00 H ATOM 911 N ILE A 114 23.009 16.943 3.736 1.00 23.12 N ATOM 912 CA ILE A 114 24.274 16.281 4.002 1.00 24.70 C ATOM 913 C ILE A 114 24.375 15.979 5.496 1.00 24.42 C ATOM 914 O ILE A 114 24.469 16.883 6.342 1.00 21.97 O ATOM 915 CB ILE A 114 25.457 17.154 3.556 1.00 24.74 C ATOM 916 CG1 ILE A 114 25.332 17.460 2.051 1.00 25.48 C ATOM 917 CG2 ILE A 114 26.765 16.466 3.893 1.00 25.49 C ATOM 918 CD1 ILE A 114 26.126 18.670 1.590 1.00 26.55 C ATOM 919 H ILE A 114 22.986 17.981 3.671 1.00 0.00 H ATOM 920 N LYS A 115 24.370 14.691 5.803 1.00 25.95 N ATOM 921 CA LYS A 115 24.236 14.214 7.175 1.00 28.17 C ATOM 922 C LYS A 115 25.284 14.762 8.141 1.00 28.12 C ATOM 923 O LYS A 115 24.944 15.190 9.246 1.00 29.43 O ATOM 924 CB LYS A 115 24.286 12.695 7.170 1.00 30.81 C ATOM 925 CG LYS A 115 24.000 12.026 8.488 1.00 34.82 C ATOM 926 CD LYS A 115 25.201 11.569 9.281 1.00 38.32 C ATOM 927 CE LYS A 115 24.789 10.437 10.223 1.00 41.32 C ATOM 928 NZ LYS A 115 25.679 10.185 11.388 1.00 41.91 N ATOM 929 HZ1 LYS A 115 26.631 9.941 11.049 1.00 0.00 H ATOM 930 HZ2 LYS A 115 25.728 11.041 11.976 1.00 0.00 H ATOM 931 HZ3 LYS A 115 25.297 9.398 11.950 1.00 0.00 H ATOM 932 H LYS A 115 24.465 13.993 5.037 1.00 0.00 H ATOM 933 N ASP A 116 26.550 14.765 7.729 1.00 28.14 N ATOM 934 CA ASP A 116 27.640 15.240 8.606 1.00 28.84 C ATOM 935 C ASP A 116 27.687 16.779 8.731 1.00 27.74 C ATOM 936 O ASP A 116 28.515 17.306 9.462 1.00 30.83 O ATOM 937 CB ASP A 116 29.009 14.695 8.185 1.00 31.88 C ATOM 938 CG ASP A 116 29.313 14.959 6.742 1.00 32.51 C ATOM 939 OD1 ASP A 116 28.391 14.823 5.920 1.00 35.16 O ATOM 940 OD2 ASP A 116 30.474 15.240 6.429 1.00 36.74 O ATOM 941 H ASP A 116 26.776 14.427 6.772 1.00 0.00 H ATOM 942 N ARG A 117 26.804 17.492 8.054 1.00 26.43 N ATOM 943 CA ARG A 117 26.666 18.935 8.229 1.00 26.45 C ATOM 944 C ARG A 117 25.514 19.343 9.150 1.00 24.95 C ATOM 945 O ARG A 117 25.237 20.537 9.316 1.00 24.76 O ATOM 946 CB ARG A 117 26.565 19.581 6.850 1.00 29.18 C ATOM 947 CG ARG A 117 27.971 19.657 6.269 1.00 34.99 C ATOM 948 CD ARG A 117 28.192 19.218 4.853 1.00 39.56 C ATOM 949 NE ARG A 117 28.358 20.343 3.944 1.00 45.31 N ATOM 950 CZ ARG A 117 29.164 20.380 2.878 1.00 45.82 C ATOM 951 NH1 ARG A 117 29.989 19.382 2.567 1.00 49.62 N ATOM 952 NH2 ARG A 117 29.160 21.465 2.128 1.00 43.87 N ATOM 953 HE ARG A 117 27.798 21.197 4.142 1.00 0.00 H ATOM 954 HH12 ARG A 117 30.599 19.454 1.728 1.00 0.00 H ATOM 955 HH11 ARG A 117 30.024 18.531 3.164 1.00 0.00 H ATOM 956 HH22 ARG A 117 29.777 21.522 1.292 1.00 0.00 H ATOM 957 HH21 ARG A 117 28.540 22.264 2.372 1.00 0.00 H ATOM 958 H ARG A 117 26.185 17.008 7.372 1.00 0.00 H ATOM 959 N LEU A 118 24.841 18.341 9.710 1.00 23.58 N ATOM 960 CA LEU A 118 23.758 18.544 10.652 1.00 24.19 C ATOM 961 C LEU A 118 24.174 18.021 11.997 1.00 23.75 C ATOM 962 O LEU A 118 25.021 17.137 12.086 1.00 25.63 O ATOM 963 CB LEU A 118 22.499 17.795 10.188 1.00 25.17 C ATOM 964 CG LEU A 118 21.978 18.172 8.795 1.00 25.40 C ATOM 965 CD1 LEU A 118 20.874 17.214 8.387 1.00 25.79 C ATOM 966 CD2 LEU A 118 21.496 19.616 8.767 1.00 24.51 C ATOM 967 H LEU A 118 25.104 17.366 9.460 1.00 0.00 H ATOM 968 N ALA A 119 23.568 18.560 13.045 1.00 23.67 N ATOM 969 CA ALA A 119 23.717 18.035 14.393 1.00 24.77 C ATOM 970 C ALA A 119 22.347 17.608 14.883 1.00 25.83 C ATOM 971 O ALA A 119 21.400 18.392 14.804 1.00 25.84 O ATOM 972 CB ALA A 119 24.311 19.089 15.304 1.00 25.25 C ATOM 973 H ALA A 119 22.961 19.392 12.898 1.00 0.00 H ATOM 974 N GLU A 120 22.252 16.386 15.422 1.00 27.45 N ATOM 975 CA GLU A 120 21.001 15.842 15.901 1.00 29.85 C ATOM 976 C GLU A 120 20.877 15.947 17.424 1.00 30.14 C ATOM 977 O GLU A 120 21.832 15.702 18.160 1.00 29.17 O ATOM 978 CB GLU A 120 20.862 14.371 15.485 1.00 33.44 C ATOM 979 CG GLU A 120 19.462 13.823 15.700 1.00 38.93 C ATOM 980 CD GLU A 120 19.253 12.406 15.151 1.00 44.05 C ATOM 981 OE1 GLU A 120 20.232 11.754 14.710 1.00 46.37 O ATOM 982 OE2 GLU A 120 18.084 11.948 15.146 1.00 47.83 O ATOM 983 H GLU A 120 23.112 15.806 15.499 1.00 0.00 H ATOM 984 N GLY A 121 19.686 16.288 17.894 1.00 30.00 N ATOM 985 CA GLY A 121 19.473 16.451 19.323 1.00 32.77 C ATOM 986 C GLY A 121 18.024 16.639 19.722 1.00 34.43 C ATOM 987 O GLY A 121 17.127 16.575 18.888 1.00 33.72 O ATOM 988 H GLY A 121 18.896 16.440 17.235 1.00 0.00 H ATOM 989 N PRO A 122 17.788 16.908 21.003 1.00 37.28 N ATOM 990 CA PRO A 122 16.388 17.010 21.481 1.00 40.47 C ATOM 991 C PRO A 122 15.604 18.231 20.938 1.00 40.96 C ATOM 992 O PRO A 122 16.193 19.270 20.623 1.00 39.53 O ATOM 993 CB PRO A 122 16.529 17.058 23.001 1.00 41.65 C ATOM 994 CG PRO A 122 17.948 17.430 23.262 1.00 40.72 C ATOM 995 CD PRO A 122 18.771 16.982 22.091 1.00 37.94 C ATOM 996 N ALA A 123 14.285 18.075 20.828 1.00 45.01 N ATOM 997 CA ALA A 123 13.393 19.106 20.253 1.00 46.23 C ATOM 998 C ALA A 123 13.235 20.308 21.186 1.00 47.86 C ATOM 999 O ALA A 123 13.373 20.163 22.400 1.00 52.25 O ATOM 1000 CB ALA A 123 12.029 18.494 19.948 1.00 48.72 C ATOM 1001 H ALA A 123 13.862 17.186 21.162 1.00 0.00 H TER 1002 ALA A 123 HETATM 1003 ZN ZN A 1 24.171 27.433 9.828 1.00 25.55 ZN HETATM 1004 O HOH 2 8.618 11.981 5.226 1.00 29.08 O HETATM 1005 O HOH 3 29.954 21.656 -0.265 1.00 42.74 O HETATM 1006 O HOH 4 23.439 23.060 -13.531 1.00 38.45 O HETATM 1007 O HOH 5 29.818 23.339 15.425 1.00 40.24 O HETATM 1008 O HOH 6 16.411 22.011 20.118 1.00 36.91 O HETATM 1009 O HOH 7 32.033 16.640 7.955 1.00 31.10 O HETATM 1010 O HOH 8 21.309 26.107 -7.262 1.00 36.69 O HETATM 1011 O HOH 9 8.296 15.890 0.219 1.00 38.00 O HETATM 1012 O HOH 10 30.878 17.413 5.020 1.00 41.54 O HETATM 1013 O HOH 11 9.486 9.948 8.611 1.00 46.34 O HETATM 1014 O HOH 12 28.717 13.465 3.683 1.00 33.90 O HETATM 1015 O HOH 13 16.470 12.947 -13.980 1.00 54.68 O HETATM 1016 O HOH 14 15.201 18.928 -16.117 1.00 30.31 O HETATM 1017 O HOH 15 15.405 30.431 5.955 1.00 48.44 O HETATM 1018 O HOH 16 29.606 21.608 8.993 1.00 45.09 O HETATM 1019 O HOH 17 25.938 21.561 -5.461 1.00 36.42 O HETATM 1020 O HOH 18 23.987 14.636 11.922 1.00 41.31 O HETATM 1021 O HOH 19 4.014 15.308 -4.465 1.00 35.14 O HETATM 1022 O HOH 20 9.932 19.203 -0.365 1.00 44.25 O HETATM 1023 O HOH 21 11.796 8.811 10.973 1.00 48.86 O HETATM 1024 O HOH 22 31.090 20.769 14.676 1.00 42.49 O HETATM 1025 O HOH 23 17.264 8.289 -9.067 1.00 57.65 O HETATM 1026 O HOH 24 32.413 11.559 -9.071 1.00 48.39 O HETATM 1027 O HOH 25 6.173 17.486 -2.765 1.00 37.87 O HETATM 1028 O HOH 26 14.239 7.346 11.777 1.00 59.91 O HETATM 1029 O HOH 27 14.215 16.450 -14.053 1.00 50.03 O HETATM 1030 O HOH 28 28.427 32.921 8.245 1.00 44.61 O HETATM 1031 O HOH 29 20.404 24.788 -9.455 1.00 35.56 O HETATM 1032 O HOH 30 11.246 14.302 14.681 1.00 32.84 O HETATM 1033 O HOH 31 7.722 20.245 -8.682 1.00 39.93 O HETATM 1034 O HOH 32 28.722 10.970 6.384 1.00 41.94 O HETATM 1035 O HOH 33 10.836 15.765 -14.338 1.00 32.34 O HETATM 1036 O HOH 34 12.965 9.312 -8.775 1.00 41.05 O HETATM 1037 O HOH 35 23.331 15.642 -16.507 1.00 49.95 O HETATM 1038 O HOH 36 27.105 22.811 8.575 1.00 34.29 O HETATM 1039 O HOH 37 32.263 17.719 2.787 1.00 51.46 O HETATM 1040 O HOH 38 15.538 4.359 5.318 1.00 49.75 O HETATM 1041 O HOH 39 20.714 12.402 -13.861 1.00 55.59 O HETATM 1042 O HOH 40 29.569 25.228 3.199 1.00 31.78 O HETATM 1043 O HOH 41 10.011 9.801 -8.798 1.00 59.38 O HETATM 1044 O HOH 42 27.243 31.062 1.890 1.00 59.49 O HETATM 1045 O HOH 43 14.936 22.338 -7.018 1.00 51.36 O HETATM 1046 O HOH 44 35.132 11.212 -2.042 1.00 31.74 O HETATM 1047 O HOH 45 8.416 23.092 12.687 1.00 54.50 O HETATM 1048 O HOH 46 5.189 17.504 11.695 1.00 52.44 O HETATM 1049 O HOH 47 10.582 11.933 -10.191 1.00 36.70 O HETATM 1050 O HOH 48 32.579 20.829 10.404 1.00 53.50 O HETATM 1051 O HOH 49 14.050 30.134 12.450 1.00 50.19 O HETATM 1052 O HOH 50 31.424 12.326 3.344 1.00 48.90 O HETATM 1053 O HOH 51 31.020 19.410 8.618 1.00 45.72 O HETATM 1054 O HOH 52 19.687 18.717 -17.444 1.00 52.27 O HETATM 1055 O HOH 53 31.906 19.054 15.985 1.00 51.64 O HETATM 1056 O HOH 54 13.876 23.442 21.090 1.00 55.24 O HETATM 1057 O HOH 55 14.492 5.585 9.759 1.00 59.39 O HETATM 1058 O HOH 56 23.021 27.814 -8.172 1.00 50.68 O HETATM 1059 O HOH 57 25.813 21.959 -12.207 1.00 51.36 O HETATM 1060 O1 UNN A 58 26.212 15.961 -8.457 1.00 -0.33 O HETATM 1061 C4 UNN A 58 25.132 16.441 -8.152 1.00 0.23 C HETATM 1062 N UNN A 58 23.945 15.823 -8.266 1.00 -0.20 N HETATM 1063 C6 UNN A 58 23.044 16.360 -7.563 1.00 0.20 C HETATM 1064 C2 UNN A 58 23.543 17.674 -6.967 1.00 0.06 C HETATM 1065 C1 UNN A 58 24.949 17.823 -7.573 1.00 0.07 C HETATM 1066 C3 UNN A 58 24.960 18.875 -8.684 1.00 -0.04 C HETATM 1067 C7 UNN A 58 26.233 18.931 -9.514 1.00 -0.07 C HETATM 1068 H4 UNN A 58 26.137 19.715 -10.279 1.00 0.02 H HETATM 1069 H5 UNN A 58 26.395 17.959 -10.003 1.00 0.02 H HETATM 1070 H6 UNN A 58 27.087 19.159 -8.860 1.00 0.02 H HETATM 1071 H2 UNN A 58 24.814 19.861 -8.220 1.00 0.03 H HETATM 1072 H3 UNN A 58 24.121 18.661 -9.363 1.00 0.03 H HETATM 1073 C5 UNN A 58 26.017 18.173 -6.564 1.00 -0.05 C HETATM 1074 H7 UNN A 58 26.020 17.424 -5.759 1.00 0.02 H HETATM 1075 H8 UNN A 58 25.809 19.166 -6.140 1.00 0.02 H HETATM 1076 H9 UNN A 58 26.999 18.184 -7.059 1.00 0.02 H HETATM 1077 H10 UNN A 58 22.895 18.512 -7.263 1.00 0.05 H HETATM 1078 H11 UNN A 58 23.590 17.616 -5.870 1.00 0.05 H HETATM 1079 O2 UNN A 58 21.923 15.882 -7.376 1.00 -0.39 O HETATM 1080 H1 UNN A 58 23.791 15.023 -8.846 1.00 0.23 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 60 59 1003 CONECT 96 95 1003 CONECT 700 699 1003 CONECT 724 723 1003 CONECT 1003 60 96 700 724 CONECT 1060 1061 CONECT 1061 1060 1062 1065 CONECT 1062 1061 1063 1080 CONECT 1063 1062 1064 1079 CONECT 1064 1063 1065 1077 1078 CONECT 1065 1061 1064 1066 1073 CONECT 1066 1065 1067 1071 1072 CONECT 1067 1066 1068 1069 1070 CONECT 1068 1067 CONECT 1069 1067 CONECT 1070 1067 CONECT 1071 1066 CONECT 1072 1066 CONECT 1073 1065 1074 1075 1076 CONECT 1074 1073 CONECT 1075 1073 CONECT 1076 1073 CONECT 1077 1064 CONECT 1078 1064 CONECT 1079 1063 CONECT 1080 1062 MASTER 0 0 0 0 0 0 0 0 1079 1 30 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 5oh3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
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RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
6r1c
RCSB PDB
PDBbind
125aa, >6R1C_1|Chains... at 100%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r13
RCSB PDB
PDBbind
125aa, >6R13_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_1|Chains... at 100%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_1|Chains... at 100%
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
5oh3
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
9V2
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Ki=136uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acs Omega Vol. 3: pp. 11163-11171
Ligand Properties
Formula
C
7
H
1
1
NO
2
Molecular Weight
141.168
Exact Mass
141.079
No. of atoms
21
No. of bonds
21
Polar Surface Area
46.17
LOGP Value
0.25 (
Computed with XLOGP3
)
0.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
C[C@]1(CC)CC(=O)NC1=O
InChI String
InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/t7-/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):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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