Browse entries in the PDBbind-CN Database
HEADER 5OHA_COMPLEX COMPND 5OHA_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 188 11 ATOM 1 N ALA A 19 16.770 12.753 20.520 1.00 39.95 N ATOM 2 CA ALA A 19 17.249 12.617 19.119 1.00 49.29 C ATOM 3 C ALA A 19 16.054 12.821 18.190 1.00 48.36 C ATOM 4 O ALA A 19 15.656 11.944 17.452 1.00 59.46 O ATOM 5 CB ALA A 19 17.904 11.262 18.894 1.00 61.77 C ATOM 6 HN3 ALA A 19 16.042 12.035 20.707 1.00 0.00 H ATOM 7 HN2 ALA A 19 16.366 13.702 20.656 1.00 0.00 H ATOM 8 HN1 ALA A 19 17.568 12.618 21.173 1.00 0.00 H ATOM 9 N SER A 20 15.463 13.997 18.276 1.00 34.09 N ATOM 10 CA SER A 20 14.306 14.254 17.552 1.00 30.59 C ATOM 11 C SER A 20 14.421 15.393 16.563 1.00 26.69 C ATOM 12 O SER A 20 13.708 15.301 15.555 1.00 31.71 O ATOM 13 CB SER A 20 13.036 14.292 18.415 1.00 42.42 C ATOM 14 OG SER A 20 12.629 15.618 18.672 1.00 45.92 O ATOM 15 HG SER A 20 11.810 15.609 19.229 1.00 0.00 H ATOM 16 H SER A 20 15.865 14.735 18.889 1.00 0.00 H ATOM 17 N ILE A 21 15.307 16.387 16.739 1.00 21.97 N ATOM 18 CA ILE A 21 15.370 17.444 15.730 1.00 21.71 C ATOM 19 C ILE A 21 16.808 17.612 15.225 1.00 18.15 C ATOM 20 O ILE A 21 17.766 17.240 15.923 1.00 22.43 O ATOM 21 CB ILE A 21 14.739 18.776 16.168 1.00 22.62 C ATOM 22 CG1 ILE A 21 15.645 19.533 17.132 1.00 21.32 C ATOM 23 CG2 ILE A 21 13.373 18.523 16.806 1.00 31.15 C ATOM 24 CD1 ILE A 21 15.502 21.021 17.039 1.00 30.41 C ATOM 25 H ILE A 21 15.932 16.405 17.570 1.00 0.00 H ATOM 26 N PHE A 22 16.940 18.006 13.966 1.00 16.52 N ATOM 27 CA PHE A 22 18.229 18.240 13.398 1.00 15.61 C ATOM 28 C PHE A 22 18.433 19.754 13.256 1.00 17.44 C ATOM 29 O PHE A 22 17.563 20.488 12.714 1.00 17.55 O ATOM 30 CB PHE A 22 18.308 17.622 11.969 1.00 16.08 C ATOM 31 CG PHE A 22 18.297 16.144 11.973 1.00 16.45 C ATOM 32 CD1 PHE A 22 19.444 15.459 12.207 1.00 20.26 C ATOM 33 CD2 PHE A 22 17.128 15.441 11.735 1.00 18.54 C ATOM 34 CE1 PHE A 22 19.445 14.057 12.297 1.00 24.16 C ATOM 35 CE2 PHE A 22 17.145 14.057 11.751 1.00 21.18 C ATOM 36 CZ PHE A 22 18.295 13.390 12.035 1.00 21.59 C ATOM 37 H PHE A 22 16.091 18.147 13.382 1.00 0.00 H ATOM 38 N ARG A 23 19.611 20.221 13.679 1.00 15.94 N ATOM 39 CA ARG A 23 20.037 21.583 13.582 1.00 14.71 C ATOM 40 C ARG A 23 21.273 21.710 12.683 1.00 15.31 C ATOM 41 O ARG A 23 22.024 20.753 12.545 1.00 15.28 O ATOM 42 CB ARG A 23 20.364 22.152 14.996 1.00 15.90 C ATOM 43 CG ARG A 23 19.145 22.258 15.875 1.00 17.29 C ATOM 44 CD ARG A 23 19.458 22.917 17.253 1.00 20.22 C ATOM 45 NE ARG A 23 18.256 23.065 18.011 1.00 20.54 N ATOM 46 CZ ARG A 23 17.364 24.010 17.831 1.00 21.97 C ATOM 47 NH1 ARG A 23 17.659 25.029 17.021 1.00 22.65 N ATOM 48 NH2 ARG A 23 16.225 24.022 18.513 1.00 27.58 N ATOM 49 HE ARG A 23 18.074 22.370 18.763 1.00 0.00 H ATOM 50 HH12 ARG A 23 16.965 25.788 16.866 1.00 0.00 H ATOM 51 HH11 ARG A 23 18.583 25.064 16.545 1.00 0.00 H ATOM 52 HH22 ARG A 23 15.532 24.781 18.354 1.00 0.00 H ATOM 53 HH21 ARG A 23 16.026 23.272 19.206 1.00 0.00 H ATOM 54 H ARG A 23 20.269 19.542 14.112 1.00 0.00 H ATOM 55 N CYS A 24 21.552 22.898 12.137 1.00 13.87 N ATOM 56 CA CYS A 24 22.811 23.168 11.458 1.00 15.11 C ATOM 57 C CYS A 24 23.971 22.944 12.425 1.00 16.38 C ATOM 58 O CYS A 24 24.006 23.530 13.527 1.00 16.13 O ATOM 59 CB CYS A 24 22.834 24.584 10.943 1.00 14.76 C ATOM 60 SG CYS A 24 24.424 25.017 10.154 1.00 16.55 S ATOM 61 H CYS A 24 20.844 23.657 12.200 1.00 0.00 H ATOM 62 N ARG A 25 24.936 22.097 12.075 1.00 14.99 N ATOM 63 CA ARG A 25 26.091 21.846 12.913 1.00 15.88 C ATOM 64 C ARG A 25 26.946 23.071 13.185 1.00 17.50 C ATOM 65 O ARG A 25 27.656 23.119 14.201 1.00 19.59 O ATOM 66 CB ARG A 25 26.915 20.713 12.236 1.00 21.39 C ATOM 67 CG ARG A 25 28.159 20.365 12.871 1.00 21.65 C ATOM 68 CD ARG A 25 28.820 19.235 12.124 1.00 19.73 C ATOM 69 NE ARG A 25 30.073 19.000 12.718 1.00 19.23 N ATOM 70 CZ ARG A 25 30.952 18.107 12.293 1.00 20.59 C ATOM 71 NH1 ARG A 25 30.626 17.274 11.286 1.00 18.72 N ATOM 72 NH2 ARG A 25 32.112 18.031 12.884 1.00 20.45 N ATOM 73 HE ARG A 25 30.327 19.569 13.551 1.00 0.00 H ATOM 74 HH12 ARG A 25 31.314 16.571 10.949 1.00 0.00 H ATOM 75 HH11 ARG A 25 29.686 17.334 10.845 1.00 0.00 H ATOM 76 HH22 ARG A 25 32.815 17.335 12.563 1.00 0.00 H ATOM 77 HH21 ARG A 25 32.334 18.667 13.677 1.00 0.00 H ATOM 78 H ARG A 25 24.858 21.597 11.166 1.00 0.00 H ATOM 79 N GLN A 26 26.951 23.992 12.213 1.00 17.55 N ATOM 80 CA GLN A 26 27.852 25.161 12.332 1.00 21.84 C ATOM 81 C GLN A 26 27.272 26.279 13.147 1.00 23.31 C ATOM 82 O GLN A 26 28.045 27.093 13.661 1.00 24.41 O ATOM 83 CB GLN A 26 28.211 25.662 10.968 1.00 22.34 C ATOM 84 CG GLN A 26 28.964 24.621 10.201 1.00 25.61 C ATOM 85 CD GLN A 26 30.214 24.121 10.909 1.00 35.67 C ATOM 86 OE1 GLN A 26 30.444 22.891 11.042 1.00 39.58 O ATOM 87 NE2 GLN A 26 31.035 25.045 11.370 1.00 40.54 N ATOM 88 HE22 GLN A 26 30.810 26.052 11.240 1.00 0.00 H ATOM 89 HE21 GLN A 26 31.907 24.766 11.863 1.00 0.00 H ATOM 90 H GLN A 26 26.330 23.888 11.385 1.00 0.00 H ATOM 91 N CYS A 27 25.961 26.341 13.347 1.00 16.08 N ATOM 92 CA CYS A 27 25.386 27.493 14.043 1.00 17.96 C ATOM 93 C CYS A 27 24.181 27.212 14.914 1.00 19.41 C ATOM 94 O CYS A 27 23.753 28.065 15.711 1.00 21.92 O ATOM 95 CB CYS A 27 25.038 28.591 13.050 1.00 18.09 C ATOM 96 SG CYS A 27 23.553 28.241 12.057 1.00 16.97 S ATOM 97 H CYS A 27 25.345 25.574 13.010 1.00 0.00 H ATOM 98 N GLY A 28 23.527 26.056 14.763 1.00 16.95 N ATOM 99 CA GLY A 28 22.354 25.809 15.517 1.00 15.44 C ATOM 100 C GLY A 28 20.983 26.035 14.977 1.00 16.71 C ATOM 101 O GLY A 28 19.941 25.647 15.588 1.00 18.24 O ATOM 102 H GLY A 28 23.878 25.341 14.094 1.00 0.00 H ATOM 103 N GLN A 29 20.924 26.641 13.781 1.00 15.87 N ATOM 104 CA GLN A 29 19.666 26.877 13.156 1.00 16.78 C ATOM 105 C GLN A 29 18.793 25.591 13.120 1.00 16.78 C ATOM 106 O GLN A 29 19.314 24.544 12.738 1.00 16.35 O ATOM 107 CB GLN A 29 19.972 27.340 11.713 1.00 17.01 C ATOM 108 CG GLN A 29 18.771 27.527 10.808 1.00 17.83 C ATOM 109 CD GLN A 29 18.095 28.841 11.005 1.00 16.78 C ATOM 110 OE1 GLN A 29 17.926 29.305 12.121 1.00 21.24 O ATOM 111 NE2 GLN A 29 17.675 29.456 9.907 1.00 12.60 N ATOM 112 HE22 GLN A 29 17.840 29.026 8.975 1.00 0.00 H ATOM 113 HE21 GLN A 29 17.181 30.368 9.979 1.00 0.00 H ATOM 114 H GLN A 29 21.801 26.940 13.308 1.00 0.00 H ATOM 115 N THR A 30 17.498 25.687 13.457 1.00 17.09 N ATOM 116 CA THR A 30 16.595 24.545 13.328 1.00 18.26 C ATOM 117 C THR A 30 16.368 24.211 11.838 1.00 18.91 C ATOM 118 O THR A 30 16.015 25.113 11.082 1.00 18.80 O ATOM 119 CB THR A 30 15.258 24.816 13.999 1.00 21.89 C ATOM 120 OG1 THR A 30 15.435 25.330 15.332 1.00 33.85 O ATOM 121 CG2 THR A 30 14.517 23.604 14.112 1.00 22.83 C ATOM 122 HG1 THR A 30 14.549 25.496 15.741 1.00 0.00 H ATOM 123 H THR A 30 17.130 26.591 13.817 1.00 0.00 H ATOM 124 N ILE A 31 16.579 22.950 11.433 1.00 16.25 N ATOM 125 CA ILE A 31 16.503 22.538 10.022 1.00 16.68 C ATOM 126 C ILE A 31 15.443 21.452 9.736 1.00 18.39 C ATOM 127 O ILE A 31 14.588 21.637 8.867 1.00 18.67 O ATOM 128 CB ILE A 31 17.855 22.086 9.443 1.00 15.25 C ATOM 129 CG1 ILE A 31 18.964 23.130 9.591 1.00 16.16 C ATOM 130 CG2 ILE A 31 17.639 21.669 7.984 1.00 15.77 C ATOM 131 CD1 ILE A 31 18.720 24.417 8.856 1.00 16.88 C ATOM 132 H ILE A 31 16.807 22.230 12.149 1.00 0.00 H ATOM 133 N SER A 32 15.482 20.320 10.464 1.00 17.98 N ATOM 134 CA SER A 32 14.515 19.254 10.202 1.00 17.68 C ATOM 135 C SER A 32 14.282 18.381 11.449 1.00 18.60 C ATOM 136 O SER A 32 14.650 18.756 12.559 1.00 18.63 O ATOM 137 CB SER A 32 14.842 18.507 8.926 1.00 16.61 C ATOM 138 OG SER A 32 13.773 17.696 8.451 1.00 19.38 O ATOM 139 HG SER A 32 12.985 18.266 8.267 1.00 0.00 H ATOM 140 H SER A 32 16.197 20.204 11.210 1.00 0.00 H ATOM 141 N ARG A 33 13.586 17.262 11.269 1.00 18.85 N ATOM 142 CA ARG A 33 13.195 16.396 12.372 1.00 19.77 C ATOM 143 C ARG A 33 13.350 14.962 11.881 1.00 20.79 C ATOM 144 O ARG A 33 13.070 14.660 10.699 1.00 21.06 O ATOM 145 CB ARG A 33 11.701 16.609 12.698 1.00 25.29 C ATOM 146 CG ARG A 33 11.343 18.032 13.096 1.00 27.59 C ATOM 147 CD ARG A 33 9.894 18.087 13.582 1.00 35.61 C ATOM 148 NE ARG A 33 9.757 17.516 14.911 1.00 40.17 N ATOM 149 CZ ARG A 33 9.832 18.217 16.045 1.00 60.30 C ATOM 150 NH1 ARG A 33 10.042 19.531 16.027 1.00 65.46 N ATOM 151 NH2 ARG A 33 9.701 17.604 17.216 1.00 49.99 N ATOM 152 HE ARG A 33 9.589 16.492 14.984 1.00 0.00 H ATOM 153 HH12 ARG A 33 10.098 20.061 16.920 1.00 0.00 H ATOM 154 HH11 ARG A 33 10.151 20.028 15.120 1.00 0.00 H ATOM 155 HH22 ARG A 33 9.760 18.151 18.099 1.00 0.00 H ATOM 156 HH21 ARG A 33 9.540 16.577 17.250 1.00 0.00 H ATOM 157 H ARG A 33 13.310 16.995 10.302 1.00 0.00 H ATOM 158 N ARG A 34 13.663 14.071 12.818 1.00 21.32 N ATOM 159 CA ARG A 34 13.733 12.666 12.480 1.00 23.03 C ATOM 160 C ARG A 34 12.399 12.134 11.925 1.00 25.55 C ATOM 161 O ARG A 34 12.372 11.261 11.017 1.00 25.51 O ATOM 162 CB ARG A 34 14.207 11.902 13.698 1.00 27.43 C ATOM 163 CG ARG A 34 14.204 10.400 13.523 1.00 33.09 C ATOM 164 CD ARG A 34 15.089 9.712 14.552 1.00 39.19 C ATOM 165 NE ARG A 34 16.521 9.930 14.301 1.00 36.80 N ATOM 166 CZ ARG A 34 17.259 9.264 13.414 1.00 39.17 C ATOM 167 NH1 ARG A 34 16.745 8.288 12.666 1.00 41.74 N ATOM 168 NH2 ARG A 34 18.537 9.553 13.288 1.00 39.74 N ATOM 169 HE ARG A 34 16.997 10.665 14.862 1.00 0.00 H ATOM 170 HH12 ARG A 34 17.346 7.786 11.982 1.00 0.00 H ATOM 171 HH11 ARG A 34 15.743 8.029 12.767 1.00 0.00 H ATOM 172 HH22 ARG A 34 19.121 9.038 12.598 1.00 0.00 H ATOM 173 HH21 ARG A 34 18.963 10.296 13.878 1.00 0.00 H ATOM 174 H ARG A 34 13.857 14.384 13.791 1.00 0.00 H ATOM 175 N ASP A 35 11.289 12.643 12.474 1.00 26.81 N ATOM 176 CA ASP A 35 9.955 12.260 12.016 1.00 28.15 C ATOM 177 C ASP A 35 9.727 12.571 10.566 1.00 24.04 C ATOM 178 O ASP A 35 8.745 11.966 9.989 1.00 26.61 O ATOM 179 CB ASP A 35 8.849 12.973 12.799 1.00 27.55 C ATOM 180 CG ASP A 35 8.675 12.421 14.190 1.00 40.47 C ATOM 181 OD1 ASP A 35 9.142 11.310 14.472 1.00 41.45 O ATOM 182 OD2 ASP A 35 8.038 13.100 15.000 1.00 42.81 O ATOM 183 H ASP A 35 11.379 13.331 13.249 1.00 0.00 H ATOM 184 N TRP A 36 10.557 13.444 9.995 1.00 20.73 N ATOM 185 CA TRP A 36 10.344 13.887 8.607 1.00 20.09 C ATOM 186 C TRP A 36 11.279 13.154 7.621 1.00 22.29 C ATOM 187 O TRP A 36 11.269 13.466 6.447 1.00 21.70 O ATOM 188 CB TRP A 36 10.490 15.411 8.477 1.00 19.07 C ATOM 189 CG TRP A 36 9.500 16.186 9.277 1.00 22.33 C ATOM 190 CD1 TRP A 36 8.365 15.764 9.797 1.00 28.34 C ATOM 191 CD2 TRP A 36 9.599 17.568 9.573 1.00 22.07 C ATOM 192 NE1 TRP A 36 7.685 16.786 10.423 1.00 29.88 N ATOM 193 CE2 TRP A 36 8.428 17.920 10.299 1.00 27.21 C ATOM 194 CE3 TRP A 36 10.533 18.549 9.271 1.00 23.98 C ATOM 195 CZ2 TRP A 36 8.190 19.212 10.768 1.00 28.34 C ATOM 196 CZ3 TRP A 36 10.286 19.844 9.717 1.00 26.79 C ATOM 197 CH2 TRP A 36 9.127 20.160 10.466 1.00 26.64 C ATOM 198 HE1 TRP A 36 6.767 16.705 10.905 1.00 0.00 H ATOM 199 H TRP A 36 11.364 13.816 10.536 1.00 0.00 H ATOM 200 N LEU A 37 12.013 12.159 8.078 1.00 25.06 N ATOM 201 CA LEU A 37 12.835 11.364 7.148 1.00 22.17 C ATOM 202 C LEU A 37 11.930 10.673 6.134 1.00 25.63 C ATOM 203 O LEU A 37 10.806 10.271 6.425 1.00 24.48 O ATOM 204 CB LEU A 37 13.678 10.332 7.898 1.00 26.99 C ATOM 205 CG LEU A 37 14.914 10.895 8.589 1.00 26.20 C ATOM 206 CD1 LEU A 37 15.413 9.871 9.577 1.00 32.57 C ATOM 207 CD2 LEU A 37 15.976 11.242 7.555 1.00 26.36 C ATOM 208 H LEU A 37 12.012 11.935 9.094 1.00 0.00 H ATOM 209 N LEU A 38 12.431 10.556 4.909 1.00 23.20 N ATOM 210 CA LEU A 38 11.661 10.058 3.775 1.00 25.54 C ATOM 211 C LEU A 38 12.426 8.967 3.049 1.00 30.48 C ATOM 212 O LEU A 38 13.468 9.266 2.452 1.00 28.41 O ATOM 213 CB LEU A 38 11.486 11.213 2.789 1.00 26.21 C ATOM 214 CG LEU A 38 10.908 10.869 1.436 1.00 25.90 C ATOM 215 CD1 LEU A 38 9.509 10.304 1.585 1.00 33.39 C ATOM 216 CD2 LEU A 38 10.912 12.087 0.497 1.00 28.92 C ATOM 217 H LEU A 38 13.421 10.833 4.751 1.00 0.00 H ATOM 218 N PRO A 39 11.996 7.708 3.178 1.00 36.16 N ATOM 219 CA PRO A 39 12.678 6.671 2.384 1.00 40.20 C ATOM 220 C PRO A 39 12.373 6.765 0.885 1.00 35.25 C ATOM 221 O PRO A 39 11.301 6.357 0.449 1.00 62.44 O ATOM 222 CB PRO A 39 12.152 5.373 2.997 1.00 42.86 C ATOM 223 CG PRO A 39 11.865 5.741 4.424 1.00 40.87 C ATOM 224 CD PRO A 39 11.265 7.121 4.318 1.00 37.29 C ATOM 225 N MET A 40 13.306 7.349 0.137 1.00 35.24 N ATOM 226 CA MET A 40 13.240 7.481 -1.345 1.00 37.20 C ATOM 227 C MET A 40 13.876 6.278 -2.006 1.00 45.29 C ATOM 228 O MET A 40 14.988 5.898 -1.659 1.00 39.34 O ATOM 229 CB MET A 40 14.033 8.689 -1.856 1.00 39.34 C ATOM 230 CG MET A 40 13.424 10.067 -1.595 1.00 33.48 C ATOM 231 SD MET A 40 11.907 10.311 -2.565 1.00 43.58 S ATOM 232 CE MET A 40 12.662 10.071 -4.192 1.00 37.51 C ATOM 233 H MET A 40 14.139 7.740 0.621 1.00 0.00 H ATOM 234 N GLY A 41 13.216 5.696 -3.004 1.00 43.22 N ATOM 235 CA GLY A 41 13.695 4.436 -3.537 1.00 47.01 C ATOM 236 C GLY A 41 13.928 3.363 -2.480 1.00 48.18 C ATOM 237 O GLY A 41 14.690 2.437 -2.716 1.00 49.02 O ATOM 238 H GLY A 41 12.363 6.142 -3.399 1.00 0.00 H ATOM 239 N GLY A 42 13.269 3.479 -1.319 1.00 46.24 N ATOM 240 CA GLY A 42 13.380 2.489 -0.231 1.00 40.68 C ATOM 241 C GLY A 42 14.407 2.713 0.894 1.00 42.54 C ATOM 242 O GLY A 42 14.522 1.897 1.805 1.00 51.66 O ATOM 243 H GLY A 42 12.652 4.304 -1.179 1.00 0.00 H ATOM 244 N ASP A 43 15.182 3.782 0.810 1.00 43.27 N ATOM 245 CA ASP A 43 16.169 4.124 1.856 1.00 45.44 C ATOM 246 C ASP A 43 16.151 5.641 2.010 1.00 32.56 C ATOM 247 O ASP A 43 16.117 6.360 0.992 1.00 37.40 O ATOM 248 CB ASP A 43 17.581 3.661 1.437 1.00 51.18 C ATOM 249 CG ASP A 43 18.575 3.507 2.639 1.00 66.40 C ATOM 250 OD1 ASP A 43 18.396 4.138 3.712 1.00 43.78 O ATOM 251 OD2 ASP A 43 19.567 2.742 2.493 1.00 60.74 O ATOM 252 H ASP A 43 15.094 4.403 -0.020 1.00 0.00 H ATOM 253 N HIS A 44 16.221 6.149 3.249 1.00 33.09 N ATOM 254 CA HIS A 44 16.305 7.579 3.449 1.00 32.67 C ATOM 255 C HIS A 44 17.767 8.014 3.173 1.00 27.56 C ATOM 256 O HIS A 44 17.989 9.158 2.895 1.00 27.59 O ATOM 257 CB HIS A 44 15.804 8.050 4.856 1.00 32.86 C ATOM 258 CG HIS A 44 16.654 7.569 6.002 1.00 31.71 C ATOM 259 ND1 HIS A 44 16.300 6.517 6.818 1.00 54.71 N ATOM 260 CD2 HIS A 44 17.841 8.024 6.475 1.00 32.18 C ATOM 261 CE1 HIS A 44 17.241 6.331 7.729 1.00 48.36 C ATOM 262 NE2 HIS A 44 18.192 7.227 7.532 1.00 36.16 N ATOM 263 H HIS A 44 16.215 5.511 4.071 1.00 0.00 H ATOM 264 N GLU A 45 18.733 7.075 3.137 1.00 26.08 N ATOM 265 CA GLU A 45 20.146 7.446 2.940 1.00 26.22 C ATOM 266 C GLU A 45 20.622 7.062 1.504 1.00 28.94 C ATOM 267 O GLU A 45 20.403 5.914 1.064 1.00 32.04 O ATOM 268 CB GLU A 45 21.003 6.692 3.929 1.00 30.17 C ATOM 269 CG GLU A 45 22.474 7.078 3.841 1.00 32.24 C ATOM 270 CD GLU A 45 23.274 6.418 4.942 1.00 39.44 C ATOM 271 OE1 GLU A 45 23.415 7.026 6.019 1.00 40.32 O ATOM 272 OE2 GLU A 45 23.750 5.282 4.758 1.00 42.84 O ATOM 273 H GLU A 45 18.478 6.073 3.250 1.00 0.00 H ATOM 274 N HIS A 46 21.261 8.033 0.834 1.00 26.60 N ATOM 275 CA HIS A 46 21.793 7.914 -0.527 1.00 26.89 C ATOM 276 C HIS A 46 23.195 8.480 -0.580 1.00 27.22 C ATOM 277 O HIS A 46 23.404 9.645 -0.214 1.00 26.41 O ATOM 278 CB HIS A 46 20.901 8.591 -1.523 1.00 29.53 C ATOM 279 CG HIS A 46 19.553 7.943 -1.674 1.00 38.73 C ATOM 280 ND1 HIS A 46 19.180 7.237 -2.807 1.00 42.41 N ATOM 281 CD2 HIS A 46 18.481 7.911 -0.843 1.00 33.30 C ATOM 282 CE1 HIS A 46 17.947 6.782 -2.655 1.00 43.59 C ATOM 283 NE2 HIS A 46 17.499 7.175 -1.476 1.00 40.00 N ATOM 284 H HIS A 46 21.389 8.944 1.319 1.00 0.00 H ATOM 285 N VAL A 47 24.175 7.688 -1.030 1.00 27.31 N ATOM 286 CA VAL A 47 25.538 8.212 -1.118 1.00 24.70 C ATOM 287 C VAL A 47 25.873 8.468 -2.595 1.00 24.22 C ATOM 288 O VAL A 47 25.682 7.620 -3.432 1.00 27.10 O ATOM 289 CB VAL A 47 26.562 7.278 -0.451 1.00 33.53 C ATOM 290 CG1 VAL A 47 27.984 7.855 -0.542 1.00 34.40 C ATOM 291 CG2 VAL A 47 26.178 7.048 1.012 1.00 38.94 C ATOM 292 H VAL A 47 23.970 6.709 -1.315 1.00 0.00 H ATOM 293 N VAL A 48 26.333 9.673 -2.852 1.00 25.35 N ATOM 294 CA VAL A 48 26.421 10.203 -4.209 1.00 25.85 C ATOM 295 C VAL A 48 27.712 11.013 -4.341 1.00 26.88 C ATOM 296 O VAL A 48 28.313 11.396 -3.326 1.00 25.30 O ATOM 297 CB VAL A 48 25.219 11.136 -4.479 1.00 22.28 C ATOM 298 CG1 VAL A 48 23.920 10.336 -4.458 1.00 27.15 C ATOM 299 CG2 VAL A 48 25.127 12.308 -3.487 1.00 23.12 C ATOM 300 H VAL A 48 26.645 10.270 -2.060 1.00 0.00 H ATOM 301 N PHE A 49 28.133 11.280 -5.583 1.00 22.92 N ATOM 302 CA PHE A 49 29.238 12.213 -5.841 1.00 23.05 C ATOM 303 C PHE A 49 28.862 13.234 -6.880 1.00 24.77 C ATOM 304 O PHE A 49 28.103 12.939 -7.815 1.00 26.53 O ATOM 305 CB PHE A 49 30.459 11.517 -6.443 1.00 35.61 C ATOM 306 CG PHE A 49 30.924 10.326 -5.699 1.00 40.96 C ATOM 307 CD1 PHE A 49 30.303 9.102 -5.890 1.00 39.34 C ATOM 308 CD2 PHE A 49 32.052 10.392 -4.920 1.00 43.37 C ATOM 309 CE1 PHE A 49 30.775 7.969 -5.247 1.00 43.96 C ATOM 310 CE2 PHE A 49 32.535 9.264 -4.264 1.00 43.64 C ATOM 311 CZ PHE A 49 31.891 8.054 -4.415 1.00 39.88 C ATOM 312 H PHE A 49 27.665 10.815 -6.387 1.00 0.00 H ATOM 313 N ASN A 50 29.412 14.420 -6.712 1.00 24.71 N ATOM 314 CA ASN A 50 29.262 15.442 -7.753 1.00 26.05 C ATOM 315 C ASN A 50 30.395 15.342 -8.797 1.00 25.00 C ATOM 316 O ASN A 50 31.350 14.474 -8.730 1.00 28.27 O ATOM 317 CB ASN A 50 29.106 16.810 -7.075 1.00 24.87 C ATOM 318 CG ASN A 50 30.365 17.287 -6.397 1.00 29.13 C ATOM 319 OD1 ASN A 50 31.455 16.711 -6.587 1.00 26.36 O ATOM 320 ND2 ASN A 50 30.258 18.374 -5.674 1.00 27.18 N ATOM 321 HD22 ASN A 50 29.328 18.821 -5.542 1.00 0.00 H ATOM 322 HD21 ASN A 50 31.103 18.790 -5.232 1.00 0.00 H ATOM 323 H ASN A 50 29.949 14.630 -5.846 1.00 0.00 H ATOM 324 N PRO A 51 30.326 16.173 -9.867 1.00 28.78 N ATOM 325 CA PRO A 51 31.365 16.129 -10.860 1.00 30.34 C ATOM 326 C PRO A 51 32.798 16.458 -10.377 1.00 28.75 C ATOM 327 O PRO A 51 33.775 16.036 -11.030 1.00 33.91 O ATOM 328 CB PRO A 51 30.877 17.104 -11.945 1.00 34.81 C ATOM 329 CG PRO A 51 29.368 17.132 -11.771 1.00 31.21 C ATOM 330 CD PRO A 51 29.156 16.978 -10.315 1.00 30.78 C ATOM 331 N ALA A 52 32.881 17.136 -9.259 1.00 27.72 N ATOM 332 CA ALA A 52 34.172 17.416 -8.632 1.00 33.27 C ATOM 333 C ALA A 52 34.627 16.276 -7.752 1.00 37.05 C ATOM 334 O ALA A 52 35.629 16.431 -7.085 1.00 31.41 O ATOM 335 CB ALA A 52 34.107 18.667 -7.814 1.00 31.93 C ATOM 336 H ALA A 52 32.010 17.482 -8.808 1.00 0.00 H ATOM 337 N GLY A 53 33.914 15.156 -7.726 1.00 29.88 N ATOM 338 CA GLY A 53 34.372 13.975 -6.975 1.00 29.75 C ATOM 339 C GLY A 53 34.028 13.971 -5.491 1.00 25.46 C ATOM 340 O GLY A 53 34.439 13.030 -4.794 1.00 32.64 O ATOM 341 H GLY A 53 33.015 15.112 -8.246 1.00 0.00 H ATOM 342 N MET A 54 33.366 15.019 -5.001 1.00 25.45 N ATOM 343 CA MET A 54 32.987 15.131 -3.592 1.00 26.08 C ATOM 344 C MET A 54 31.898 14.103 -3.319 1.00 32.19 C ATOM 345 O MET A 54 30.888 14.044 -4.055 1.00 26.46 O ATOM 346 CB MET A 54 32.491 16.536 -3.285 1.00 31.00 C ATOM 347 CG MET A 54 33.447 17.659 -3.671 1.00 34.73 C ATOM 348 SD MET A 54 32.743 19.226 -3.159 1.00 40.09 S ATOM 349 CE MET A 54 32.339 20.173 -4.622 1.00 26.19 C ATOM 350 H MET A 54 33.108 15.791 -5.648 1.00 0.00 H ATOM 351 N ILE A 55 32.099 13.288 -2.281 1.00 27.22 N ATOM 352 CA ILE A 55 31.105 12.327 -1.821 1.00 23.49 C ATOM 353 C ILE A 55 30.209 12.951 -0.796 1.00 25.65 C ATOM 354 O ILE A 55 30.673 13.758 0.063 1.00 27.42 O ATOM 355 CB ILE A 55 31.779 11.034 -1.256 1.00 27.28 C ATOM 356 CG1 ILE A 55 30.760 9.905 -1.124 1.00 29.36 C ATOM 357 CG2 ILE A 55 32.447 11.280 0.099 1.00 44.75 C ATOM 358 CD1 ILE A 55 31.334 8.598 -0.641 1.00 36.80 C ATOM 359 H ILE A 55 33.007 13.341 -1.777 1.00 0.00 H ATOM 360 N PHE A 56 28.923 12.644 -0.873 1.00 21.58 N ATOM 361 CA PHE A 56 27.915 13.199 0.079 1.00 21.77 C ATOM 362 C PHE A 56 27.050 12.033 0.575 1.00 25.18 C ATOM 363 O PHE A 56 26.592 11.203 -0.201 1.00 24.28 O ATOM 364 CB PHE A 56 27.025 14.204 -0.531 1.00 21.49 C ATOM 365 CG PHE A 56 27.713 15.405 -1.092 1.00 25.33 C ATOM 366 CD1 PHE A 56 28.139 16.419 -0.291 1.00 23.60 C ATOM 367 CD2 PHE A 56 28.028 15.477 -2.454 1.00 23.69 C ATOM 368 CE1 PHE A 56 28.733 17.557 -0.815 1.00 24.98 C ATOM 369 CE2 PHE A 56 28.672 16.588 -2.965 1.00 24.86 C ATOM 370 CZ PHE A 56 29.032 17.626 -2.158 1.00 24.34 C ATOM 371 H PHE A 56 28.605 11.995 -1.621 1.00 0.00 H ATOM 372 N ARG A 57 26.861 11.937 1.896 1.00 23.19 N ATOM 373 CA ARG A 57 25.931 10.975 2.494 1.00 22.73 C ATOM 374 C ARG A 57 24.669 11.768 2.690 1.00 20.38 C ATOM 375 O ARG A 57 24.589 12.612 3.638 1.00 23.53 O ATOM 376 CB ARG A 57 26.444 10.454 3.831 1.00 27.08 C ATOM 377 CG ARG A 57 25.480 9.487 4.534 1.00 34.31 C ATOM 378 CD ARG A 57 25.762 9.327 6.036 1.00 46.56 C ATOM 379 NE ARG A 57 27.037 8.654 6.290 1.00 44.83 N ATOM 380 CZ ARG A 57 27.186 7.369 6.600 1.00 50.07 C ATOM 381 NH1 ARG A 57 26.141 6.547 6.718 1.00 54.92 N ATOM 382 NH2 ARG A 57 28.409 6.893 6.800 1.00 49.33 N ATOM 383 HE ARG A 57 27.900 9.230 6.222 1.00 0.00 H ATOM 384 HH12 ARG A 57 26.291 5.547 6.962 1.00 0.00 H ATOM 385 HH11 ARG A 57 25.177 6.906 6.566 1.00 0.00 H ATOM 386 HH22 ARG A 57 28.544 5.891 7.043 1.00 0.00 H ATOM 387 HH21 ARG A 57 29.232 7.522 6.714 1.00 0.00 H ATOM 388 H ARG A 57 27.396 12.571 2.524 1.00 0.00 H ATOM 389 N VAL A 58 23.722 11.626 1.776 1.00 18.37 N ATOM 390 CA VAL A 58 22.494 12.423 1.757 1.00 16.87 C ATOM 391 C VAL A 58 21.394 11.652 2.476 1.00 22.98 C ATOM 392 O VAL A 58 21.175 10.501 2.196 1.00 22.40 O ATOM 393 CB VAL A 58 22.061 12.699 0.325 1.00 20.82 C ATOM 394 CG1 VAL A 58 20.738 13.393 0.205 1.00 21.14 C ATOM 395 CG2 VAL A 58 23.106 13.566 -0.388 1.00 22.05 C ATOM 396 H VAL A 58 23.857 10.911 1.033 1.00 0.00 H ATOM 397 N TRP A 59 20.696 12.348 3.374 1.00 18.00 N ATOM 398 CA TRP A 59 19.469 11.850 4.033 1.00 18.28 C ATOM 399 C TRP A 59 18.307 12.646 3.377 1.00 16.90 C ATOM 400 O TRP A 59 18.388 13.903 3.298 1.00 18.52 O ATOM 401 CB TRP A 59 19.565 12.045 5.547 1.00 19.81 C ATOM 402 CG TRP A 59 20.311 10.948 6.240 1.00 22.58 C ATOM 403 CD1 TRP A 59 21.155 10.048 5.671 1.00 26.89 C ATOM 404 CD2 TRP A 59 20.284 10.615 7.642 1.00 26.91 C ATOM 405 NE1 TRP A 59 21.610 9.136 6.604 1.00 26.83 N ATOM 406 CE2 TRP A 59 21.096 9.475 7.820 1.00 28.57 C ATOM 407 CE3 TRP A 59 19.615 11.142 8.736 1.00 31.10 C ATOM 408 CZ2 TRP A 59 21.266 8.842 9.071 1.00 38.20 C ATOM 409 CZ3 TRP A 59 19.780 10.531 9.981 1.00 36.01 C ATOM 410 CH2 TRP A 59 20.619 9.396 10.141 1.00 48.70 C ATOM 411 HE1 TRP A 59 22.237 8.329 6.411 1.00 0.00 H ATOM 412 H TRP A 59 21.035 13.298 3.626 1.00 0.00 H ATOM 413 N CYS A 60 17.274 11.909 2.945 1.00 19.81 N ATOM 414 CA CYS A 60 16.127 12.525 2.308 1.00 18.91 C ATOM 415 C CYS A 60 15.096 12.821 3.389 1.00 19.19 C ATOM 416 O CYS A 60 14.846 11.990 4.257 1.00 20.78 O ATOM 417 CB CYS A 60 15.527 11.630 1.288 1.00 21.09 C ATOM 418 SG CYS A 60 16.682 11.269 -0.054 1.00 25.69 S ATOM 419 H CYS A 60 17.296 10.877 3.069 1.00 0.00 H ATOM 420 N PHE A 61 14.563 14.041 3.339 1.00 18.17 N ATOM 421 CA PHE A 61 13.521 14.493 4.284 1.00 18.10 C ATOM 422 C PHE A 61 12.358 14.987 3.462 1.00 17.69 C ATOM 423 O PHE A 61 12.520 15.613 2.401 1.00 20.14 O ATOM 424 CB PHE A 61 14.055 15.635 5.140 1.00 18.42 C ATOM 425 CG PHE A 61 15.086 15.244 6.133 1.00 18.57 C ATOM 426 CD1 PHE A 61 16.421 15.191 5.795 1.00 20.06 C ATOM 427 CD2 PHE A 61 14.744 14.948 7.437 1.00 17.48 C ATOM 428 CE1 PHE A 61 17.384 14.894 6.749 1.00 19.21 C ATOM 429 CE2 PHE A 61 15.696 14.679 8.398 1.00 21.47 C ATOM 430 CZ PHE A 61 17.041 14.609 8.033 1.00 17.70 C ATOM 431 H PHE A 61 14.893 14.701 2.606 1.00 0.00 H ATOM 432 N SER A 62 11.134 14.735 3.929 1.00 17.61 N ATOM 433 CA SER A 62 10.006 15.305 3.239 1.00 19.57 C ATOM 434 C SER A 62 9.895 16.821 3.386 1.00 20.70 C ATOM 435 O SER A 62 9.272 17.496 2.541 1.00 21.49 O ATOM 436 CB SER A 62 8.723 14.625 3.725 1.00 21.39 C ATOM 437 OG SER A 62 8.660 13.295 3.276 1.00 21.23 O ATOM 438 HG SER A 62 7.824 12.877 3.602 1.00 0.00 H ATOM 439 H SER A 62 10.998 14.141 4.772 1.00 0.00 H ATOM 440 N LEU A 63 10.410 17.338 4.506 1.00 19.78 N ATOM 441 CA LEU A 63 10.232 18.682 4.937 1.00 19.85 C ATOM 442 C LEU A 63 11.492 19.161 5.656 1.00 17.71 C ATOM 443 O LEU A 63 12.219 18.359 6.300 1.00 19.11 O ATOM 444 CB LEU A 63 9.052 18.693 5.909 1.00 24.89 C ATOM 445 CG LEU A 63 8.529 20.024 6.406 1.00 30.58 C ATOM 446 CD1 LEU A 63 8.168 20.974 5.301 1.00 34.86 C ATOM 447 CD2 LEU A 63 7.306 19.713 7.256 1.00 34.48 C ATOM 448 H LEU A 63 10.983 16.711 5.107 1.00 0.00 H ATOM 449 N ALA A 64 11.763 20.447 5.522 1.00 18.45 N ATOM 450 CA ALA A 64 12.867 21.136 6.209 1.00 18.70 C ATOM 451 C ALA A 64 12.503 22.607 6.301 1.00 19.68 C ATOM 452 O ALA A 64 11.597 23.058 5.612 1.00 21.49 O ATOM 453 CB ALA A 64 14.200 20.930 5.509 1.00 17.77 C ATOM 454 H ALA A 64 11.157 21.009 4.890 1.00 0.00 H ATOM 455 N GLN A 65 13.112 23.311 7.222 1.00 17.56 N ATOM 456 CA GLN A 65 12.921 24.727 7.438 1.00 18.13 C ATOM 457 C GLN A 65 14.282 25.357 7.690 1.00 17.03 C ATOM 458 O GLN A 65 15.305 24.664 7.850 1.00 17.12 O ATOM 459 CB GLN A 65 12.031 24.929 8.678 1.00 22.74 C ATOM 460 CG GLN A 65 12.626 24.354 9.962 1.00 24.55 C ATOM 461 CD GLN A 65 11.676 24.363 11.171 1.00 34.62 C ATOM 462 OE1 GLN A 65 11.182 23.329 11.587 1.00 48.25 O ATOM 463 NE2 GLN A 65 11.449 25.520 11.729 1.00 43.75 N ATOM 464 HE22 GLN A 65 11.890 26.379 11.343 1.00 0.00 H ATOM 465 HE21 GLN A 65 10.827 25.583 12.560 1.00 0.00 H ATOM 466 H GLN A 65 13.782 22.815 7.843 1.00 0.00 H ATOM 467 N GLY A 66 14.303 26.677 7.763 1.00 17.65 N ATOM 468 CA GLY A 66 15.540 27.414 8.101 1.00 18.45 C ATOM 469 C GLY A 66 16.660 27.433 7.081 1.00 18.01 C ATOM 470 O GLY A 66 17.795 27.774 7.408 1.00 19.46 O ATOM 471 H GLY A 66 13.429 27.210 7.578 1.00 0.00 H ATOM 472 N LEU A 67 16.331 27.010 5.874 1.00 17.78 N ATOM 473 CA LEU A 67 17.262 27.010 4.772 1.00 17.78 C ATOM 474 C LEU A 67 17.021 28.221 3.938 1.00 19.81 C ATOM 475 O LEU A 67 16.045 28.948 4.148 1.00 21.29 O ATOM 476 CB LEU A 67 17.057 25.742 3.909 1.00 14.95 C ATOM 477 CG LEU A 67 17.317 24.447 4.645 1.00 16.68 C ATOM 478 CD1 LEU A 67 16.600 23.335 3.861 1.00 19.74 C ATOM 479 CD2 LEU A 67 18.810 24.176 4.852 1.00 17.28 C ATOM 480 H LEU A 67 15.364 26.664 5.712 1.00 0.00 H ATOM 481 N ARG A 68 17.945 28.514 3.028 1.00 18.25 N ATOM 482 CA ARG A 68 17.749 29.463 1.950 1.00 18.36 C ATOM 483 C ARG A 68 18.066 28.730 0.652 1.00 20.37 C ATOM 484 O ARG A 68 19.152 28.183 0.491 1.00 18.15 O ATOM 485 CB ARG A 68 18.685 30.655 2.106 1.00 20.15 C ATOM 486 CG ARG A 68 18.573 31.721 1.069 1.00 34.61 C ATOM 487 CD ARG A 68 19.080 33.060 1.591 1.00 47.23 C ATOM 488 NE ARG A 68 20.433 32.900 2.093 1.00 48.55 N ATOM 489 CZ ARG A 68 21.527 32.980 1.347 1.00 38.90 C ATOM 490 NH1 ARG A 68 21.449 33.273 0.053 1.00 62.48 N ATOM 491 NH2 ARG A 68 22.722 32.818 1.910 1.00 64.76 N ATOM 492 HE ARG A 68 20.553 32.709 3.108 1.00 0.00 H ATOM 493 HH12 ARG A 68 22.315 33.332 -0.520 1.00 0.00 H ATOM 494 HH11 ARG A 68 20.522 33.443 -0.387 1.00 0.00 H ATOM 495 HH22 ARG A 68 23.583 32.880 1.330 1.00 0.00 H ATOM 496 HH21 ARG A 68 22.795 32.630 2.930 1.00 0.00 H ATOM 497 H ARG A 68 18.865 28.033 3.094 1.00 0.00 H ATOM 498 N LEU A 69 17.086 28.698 -0.260 1.00 20.74 N ATOM 499 CA LEU A 69 17.246 27.984 -1.531 1.00 23.73 C ATOM 500 C LEU A 69 17.780 28.944 -2.546 1.00 26.42 C ATOM 501 O LEU A 69 17.172 30.026 -2.766 1.00 29.68 O ATOM 502 CB LEU A 69 15.882 27.376 -1.919 1.00 22.72 C ATOM 503 CG LEU A 69 15.213 26.506 -0.855 1.00 24.61 C ATOM 504 CD1 LEU A 69 13.893 25.963 -1.394 1.00 29.54 C ATOM 505 CD2 LEU A 69 16.154 25.431 -0.355 1.00 23.95 C ATOM 506 H LEU A 69 16.191 29.190 -0.063 1.00 0.00 H ATOM 507 N ILE A 70 18.896 28.593 -3.189 1.00 24.95 N ATOM 508 CA ILE A 70 19.662 29.482 -4.022 1.00 25.86 C ATOM 509 C ILE A 70 19.404 29.307 -5.514 1.00 30.69 C ATOM 510 O ILE A 70 19.500 28.204 -6.028 1.00 28.50 O ATOM 511 CB ILE A 70 21.185 29.301 -3.854 1.00 35.01 C ATOM 512 CG1 ILE A 70 21.559 29.425 -2.382 1.00 43.90 C ATOM 513 CG2 ILE A 70 21.940 30.342 -4.668 1.00 42.40 C ATOM 514 CD1 ILE A 70 20.909 30.601 -1.705 1.00 36.61 C ATOM 515 H ILE A 70 19.233 27.615 -3.081 1.00 0.00 H ATOM 516 N GLY A 71 19.074 30.404 -6.192 1.00 29.35 N ATOM 517 CA GLY A 71 18.872 30.352 -7.649 1.00 34.06 C ATOM 518 C GLY A 71 17.640 29.599 -8.071 1.00 35.77 C ATOM 519 O GLY A 71 16.652 29.491 -7.335 1.00 34.45 O ATOM 520 H GLY A 71 18.958 31.306 -5.688 1.00 0.00 H ATOM 521 N ALA A 72 17.672 29.092 -9.296 1.00 33.90 N ATOM 522 CA ALA A 72 16.535 28.446 -9.898 1.00 31.67 C ATOM 523 C ALA A 72 16.972 26.976 -10.122 1.00 28.23 C ATOM 524 O ALA A 72 18.176 26.682 -10.214 1.00 31.57 O ATOM 525 CB ALA A 72 16.181 29.120 -11.218 1.00 36.48 C ATOM 526 H ALA A 72 18.553 29.164 -9.843 1.00 0.00 H ATOM 527 N PRO A 73 16.014 26.087 -10.262 1.00 27.84 N ATOM 528 CA PRO A 73 16.336 24.661 -10.340 1.00 23.18 C ATOM 529 C PRO A 73 17.095 24.256 -11.569 1.00 23.11 C ATOM 530 O PRO A 73 16.969 24.866 -12.654 1.00 26.43 O ATOM 531 CB PRO A 73 14.958 23.978 -10.307 1.00 24.70 C ATOM 532 CG PRO A 73 14.018 25.023 -9.822 1.00 27.63 C ATOM 533 CD PRO A 73 14.570 26.335 -10.147 1.00 27.07 C ATOM 534 N SER A 74 17.829 23.156 -11.428 1.00 21.34 N ATOM 535 CA SER A 74 18.540 22.592 -12.550 1.00 20.34 C ATOM 536 C SER A 74 18.381 21.087 -12.524 1.00 21.38 C ATOM 537 O SER A 74 18.462 20.500 -11.474 1.00 23.04 O ATOM 538 CB SER A 74 20.036 22.919 -12.405 1.00 22.99 C ATOM 539 OG SER A 74 20.737 22.355 -13.513 1.00 25.11 O ATOM 540 HG SER A 74 21.702 22.559 -13.430 1.00 0.00 H ATOM 541 H SER A 74 17.891 22.696 -10.497 1.00 0.00 H ATOM 542 N GLY A 75 18.251 20.476 -13.666 1.00 20.99 N ATOM 543 CA GLY A 75 18.254 19.015 -13.762 1.00 21.09 C ATOM 544 C GLY A 75 19.634 18.372 -13.958 1.00 25.53 C ATOM 545 O GLY A 75 19.743 17.149 -14.000 1.00 23.52 O ATOM 546 H GLY A 75 18.142 21.040 -14.533 1.00 0.00 H ATOM 547 N GLU A 76 20.653 19.187 -14.157 1.00 25.80 N ATOM 548 CA GLU A 76 21.968 18.720 -14.593 1.00 29.29 C ATOM 549 C GLU A 76 22.532 17.854 -13.474 1.00 22.79 C ATOM 550 O GLU A 76 22.593 18.242 -12.311 1.00 25.71 O ATOM 551 CB GLU A 76 22.904 19.912 -14.809 1.00 32.08 C ATOM 552 CG GLU A 76 22.560 20.719 -16.037 1.00 40.69 C ATOM 553 CD GLU A 76 23.615 21.773 -16.317 1.00 77.74 C ATOM 554 OE1 GLU A 76 24.684 21.745 -15.660 1.00 75.81 O ATOM 555 OE2 GLU A 76 23.373 22.629 -17.191 1.00 81.73 O ATOM 556 H GLU A 76 20.514 20.205 -13.997 1.00 0.00 H ATOM 557 N PHE A 77 22.921 16.634 -13.853 1.00 28.92 N ATOM 558 CA PHE A 77 23.631 15.762 -12.885 1.00 25.77 C ATOM 559 C PHE A 77 22.743 15.364 -11.721 1.00 25.27 C ATOM 560 O PHE A 77 23.248 14.926 -10.699 1.00 24.88 O ATOM 561 CB PHE A 77 24.946 16.378 -12.347 1.00 28.18 C ATOM 562 CG PHE A 77 25.914 16.880 -13.416 1.00 32.96 C ATOM 563 CD1 PHE A 77 26.546 16.011 -14.244 1.00 37.63 C ATOM 564 CD2 PHE A 77 26.218 18.238 -13.499 1.00 34.30 C ATOM 565 CE1 PHE A 77 27.438 16.460 -15.202 1.00 43.51 C ATOM 566 CE2 PHE A 77 27.089 18.706 -14.464 1.00 42.04 C ATOM 567 CZ PHE A 77 27.711 17.809 -15.297 1.00 44.14 C ATOM 568 H PHE A 77 22.728 16.298 -14.818 1.00 0.00 H ATOM 569 N SER A 78 21.419 15.476 -11.846 1.00 23.42 N ATOM 570 CA SER A 78 20.575 15.203 -10.719 1.00 21.98 C ATOM 571 C SER A 78 20.721 13.733 -10.277 1.00 19.97 C ATOM 572 O SER A 78 20.725 12.821 -11.105 1.00 22.74 O ATOM 573 CB SER A 78 19.099 15.437 -11.029 1.00 23.43 C ATOM 574 OG SER A 78 18.337 15.104 -9.863 1.00 22.75 O ATOM 575 HG SER A 78 17.375 15.250 -10.046 1.00 0.00 H ATOM 576 H SER A 78 21.002 15.760 -12.755 1.00 0.00 H ATOM 577 N TRP A 79 20.870 13.572 -8.960 1.00 21.56 N ATOM 578 CA TRP A 79 20.970 12.241 -8.361 1.00 22.97 C ATOM 579 C TRP A 79 19.660 11.486 -8.205 1.00 27.37 C ATOM 580 O TRP A 79 19.667 10.300 -7.931 1.00 25.55 O ATOM 581 CB TRP A 79 21.641 12.303 -7.002 1.00 23.08 C ATOM 582 CG TRP A 79 23.045 12.825 -7.045 1.00 20.25 C ATOM 583 CD1 TRP A 79 24.046 12.435 -7.869 1.00 23.09 C ATOM 584 CD2 TRP A 79 23.575 13.841 -6.219 1.00 20.16 C ATOM 585 NE1 TRP A 79 25.212 13.146 -7.612 1.00 21.16 N ATOM 586 CE2 TRP A 79 24.931 14.037 -6.602 1.00 20.70 C ATOM 587 CE3 TRP A 79 23.044 14.645 -5.205 1.00 19.05 C ATOM 588 CZ2 TRP A 79 25.730 15.010 -5.990 1.00 19.74 C ATOM 589 CZ3 TRP A 79 23.848 15.568 -4.602 1.00 18.88 C ATOM 590 CH2 TRP A 79 25.181 15.720 -4.986 1.00 21.40 C ATOM 591 HE1 TRP A 79 26.126 13.027 -8.093 1.00 0.00 H ATOM 592 H TRP A 79 20.916 14.411 -8.347 1.00 0.00 H ATOM 593 N PHE A 80 18.542 12.135 -8.464 1.00 19.54 N ATOM 594 CA PHE A 80 17.224 11.536 -8.266 1.00 19.22 C ATOM 595 C PHE A 80 16.425 11.747 -9.534 1.00 20.50 C ATOM 596 O PHE A 80 16.192 12.893 -9.929 1.00 22.21 O ATOM 597 CB PHE A 80 16.510 12.151 -7.082 1.00 21.66 C ATOM 598 CG PHE A 80 17.264 11.990 -5.768 1.00 20.77 C ATOM 599 CD1 PHE A 80 17.038 10.844 -4.995 1.00 31.18 C ATOM 600 CD2 PHE A 80 18.122 12.925 -5.338 1.00 20.13 C ATOM 601 CE1 PHE A 80 17.696 10.677 -3.774 1.00 28.38 C ATOM 602 CE2 PHE A 80 18.795 12.779 -4.142 1.00 24.08 C ATOM 603 CZ PHE A 80 18.579 11.635 -3.365 1.00 24.30 C ATOM 604 H PHE A 80 18.600 13.109 -8.823 1.00 0.00 H ATOM 605 N LYS A 81 16.057 10.667 -10.178 1.00 22.99 N ATOM 606 CA LYS A 81 15.466 10.709 -11.491 1.00 21.89 C ATOM 607 C LYS A 81 14.188 11.471 -11.483 1.00 24.63 C ATOM 608 O LYS A 81 13.283 11.227 -10.679 1.00 24.88 O ATOM 609 CB LYS A 81 15.189 9.290 -11.998 1.00 29.32 C ATOM 610 CG LYS A 81 14.711 9.261 -13.442 1.00 37.31 C ATOM 611 CD LYS A 81 14.658 7.851 -14.010 1.00 48.84 C ATOM 612 CE LYS A 81 14.146 7.867 -15.449 1.00 58.23 C ATOM 613 NZ LYS A 81 14.966 8.768 -16.308 1.00 52.44 N ATOM 614 HZ1 LYS A 81 14.924 9.737 -15.931 1.00 0.00 H ATOM 615 HZ2 LYS A 81 15.952 8.438 -16.312 1.00 0.00 H ATOM 616 HZ3 LYS A 81 14.591 8.756 -17.278 1.00 0.00 H ATOM 617 H LYS A 81 16.197 9.742 -9.723 1.00 0.00 H ATOM 618 N GLY A 82 14.086 12.406 -12.432 1.00 25.68 N ATOM 619 CA GLY A 82 12.874 13.192 -12.560 1.00 21.78 C ATOM 620 C GLY A 82 12.876 14.472 -11.780 1.00 21.60 C ATOM 621 O GLY A 82 11.899 15.221 -11.870 1.00 22.53 O ATOM 622 H GLY A 82 14.880 12.571 -13.083 1.00 0.00 H ATOM 623 N TYR A 83 13.842 14.669 -10.882 1.00 19.73 N ATOM 624 CA TYR A 83 13.915 15.883 -10.051 1.00 18.31 C ATOM 625 C TYR A 83 14.948 16.858 -10.468 1.00 19.17 C ATOM 626 O TYR A 83 16.036 16.449 -10.960 1.00 24.60 O ATOM 627 CB TYR A 83 14.138 15.564 -8.572 1.00 18.10 C ATOM 628 CG TYR A 83 13.091 14.699 -7.979 1.00 17.86 C ATOM 629 CD1 TYR A 83 13.186 13.337 -8.038 1.00 21.42 C ATOM 630 CD2 TYR A 83 12.010 15.268 -7.316 1.00 20.39 C ATOM 631 CE1 TYR A 83 12.195 12.539 -7.489 1.00 20.93 C ATOM 632 CE2 TYR A 83 11.035 14.500 -6.757 1.00 18.91 C ATOM 633 CZ TYR A 83 11.146 13.122 -6.822 1.00 21.79 C ATOM 634 OH TYR A 83 10.164 12.302 -6.334 1.00 23.45 O ATOM 635 HH TYR A 83 9.316 12.484 -6.812 1.00 0.00 H ATOM 636 H TYR A 83 14.572 13.937 -10.764 1.00 0.00 H ATOM 637 N ASP A 84 14.599 18.147 -10.352 1.00 18.66 N ATOM 638 CA ASP A 84 15.501 19.226 -10.551 1.00 17.81 C ATOM 639 C ASP A 84 15.901 19.761 -9.170 1.00 22.09 C ATOM 640 O ASP A 84 15.104 19.713 -8.259 1.00 21.84 O ATOM 641 CB ASP A 84 14.811 20.323 -11.390 1.00 20.67 C ATOM 642 CG ASP A 84 14.151 19.731 -12.632 1.00 23.21 C ATOM 643 OD1 ASP A 84 14.913 19.116 -13.400 1.00 25.30 O ATOM 644 OD2 ASP A 84 12.909 19.829 -12.787 1.00 27.58 O ATOM 645 H ASP A 84 13.614 18.369 -10.103 1.00 0.00 H ATOM 646 N TRP A 85 17.101 20.307 -9.054 1.00 18.05 N ATOM 647 CA TRP A 85 17.598 20.725 -7.746 1.00 18.98 C ATOM 648 C TRP A 85 17.955 22.171 -7.618 1.00 19.97 C ATOM 649 O TRP A 85 18.346 22.784 -8.620 1.00 20.08 O ATOM 650 CB TRP A 85 18.802 19.879 -7.311 1.00 21.60 C ATOM 651 CG TRP A 85 19.889 19.788 -8.288 1.00 18.84 C ATOM 652 CD1 TRP A 85 20.055 18.817 -9.214 1.00 21.09 C ATOM 653 CD2 TRP A 85 20.938 20.733 -8.492 1.00 20.54 C ATOM 654 NE1 TRP A 85 21.155 19.087 -9.977 1.00 21.61 N ATOM 655 CE2 TRP A 85 21.711 20.262 -9.577 1.00 20.08 C ATOM 656 CE3 TRP A 85 21.287 21.955 -7.881 1.00 22.25 C ATOM 657 CZ2 TRP A 85 22.830 20.953 -10.050 1.00 23.12 C ATOM 658 CZ3 TRP A 85 22.423 22.645 -8.368 1.00 24.30 C ATOM 659 CH2 TRP A 85 23.172 22.127 -9.431 1.00 26.38 C ATOM 660 HE1 TRP A 85 21.513 18.486 -10.746 1.00 0.00 H ATOM 661 H TRP A 85 17.693 20.439 -9.899 1.00 0.00 H ATOM 662 N THR A 86 17.906 22.660 -6.359 1.00 18.50 N ATOM 663 CA THR A 86 18.420 23.953 -5.977 1.00 19.51 C ATOM 664 C THR A 86 19.299 23.753 -4.772 1.00 19.02 C ATOM 665 O THR A 86 18.949 22.965 -3.913 1.00 21.15 O ATOM 666 CB THR A 86 17.325 24.984 -5.657 1.00 24.52 C ATOM 667 OG1 THR A 86 16.527 24.533 -4.586 1.00 31.34 O ATOM 668 CG2 THR A 86 16.420 25.098 -6.872 1.00 22.45 C ATOM 669 HG1 THR A 86 15.827 25.206 -4.391 1.00 0.00 H ATOM 670 H THR A 86 17.472 22.069 -5.621 1.00 0.00 H ATOM 671 N ILE A 87 20.432 24.422 -4.761 1.00 17.24 N ATOM 672 CA ILE A 87 21.317 24.404 -3.586 1.00 17.29 C ATOM 673 C ILE A 87 20.550 24.964 -2.359 1.00 17.37 C ATOM 674 O ILE A 87 19.881 25.994 -2.448 1.00 20.67 O ATOM 675 CB ILE A 87 22.631 25.160 -3.884 1.00 18.79 C ATOM 676 CG1 ILE A 87 23.482 24.343 -4.848 1.00 21.82 C ATOM 677 CG2 ILE A 87 23.430 25.466 -2.601 1.00 23.18 C ATOM 678 CD1 ILE A 87 24.598 25.118 -5.514 1.00 28.84 C ATOM 679 H ILE A 87 20.707 24.974 -5.599 1.00 0.00 H ATOM 680 N ALA A 88 20.699 24.267 -1.218 1.00 16.21 N ATOM 681 CA ALA A 88 20.076 24.663 0.035 1.00 16.63 C ATOM 682 C ALA A 88 21.190 25.037 1.024 1.00 15.22 C ATOM 683 O ALA A 88 22.026 24.194 1.386 1.00 16.88 O ATOM 684 CB ALA A 88 19.200 23.558 0.589 1.00 17.25 C ATOM 685 H ALA A 88 21.285 23.408 -1.233 1.00 0.00 H ATOM 686 N LEU A 89 21.229 26.317 1.403 1.00 15.93 N ATOM 687 CA LEU A 89 22.170 26.819 2.425 1.00 16.23 C ATOM 688 C LEU A 89 21.400 26.914 3.758 1.00 15.08 C ATOM 689 O LEU A 89 20.187 27.160 3.773 1.00 17.12 O ATOM 690 CB LEU A 89 22.742 28.146 2.019 1.00 17.92 C ATOM 691 CG LEU A 89 23.474 28.250 0.662 1.00 20.37 C ATOM 692 CD1 LEU A 89 23.972 29.673 0.565 1.00 23.26 C ATOM 693 CD2 LEU A 89 24.537 27.166 0.564 1.00 20.17 C ATOM 694 H LEU A 89 20.569 26.988 0.960 1.00 0.00 H ATOM 695 N CYS A 90 22.135 26.768 4.841 1.00 14.57 N ATOM 696 CA CYS A 90 21.598 27.202 6.141 1.00 16.81 C ATOM 697 C CYS A 90 21.232 28.676 5.960 1.00 17.50 C ATOM 698 O CYS A 90 22.027 29.527 5.548 1.00 17.43 O ATOM 699 CB CYS A 90 22.621 27.030 7.234 1.00 15.85 C ATOM 700 SG CYS A 90 22.052 27.687 8.806 1.00 16.24 S ATOM 701 H CYS A 90 23.085 26.350 4.778 1.00 0.00 H ATOM 702 N GLY A 91 19.974 29.008 6.288 1.00 16.72 N ATOM 703 CA GLY A 91 19.479 30.356 6.206 1.00 17.45 C ATOM 704 C GLY A 91 20.103 31.353 7.136 1.00 18.99 C ATOM 705 O GLY A 91 20.042 32.561 6.916 1.00 21.62 O ATOM 706 H GLY A 91 19.330 28.260 6.615 1.00 0.00 H ATOM 707 N GLN A 92 20.726 30.834 8.178 1.00 16.80 N ATOM 708 CA GLN A 92 21.351 31.641 9.169 1.00 17.22 C ATOM 709 C GLN A 92 22.824 31.882 8.849 1.00 16.26 C ATOM 710 O GLN A 92 23.217 33.018 8.700 1.00 19.03 O ATOM 711 CB GLN A 92 21.168 31.006 10.586 1.00 18.35 C ATOM 712 CG GLN A 92 21.712 31.757 11.782 1.00 17.06 C ATOM 713 CD GLN A 92 21.065 31.356 13.092 1.00 17.21 C ATOM 714 OE1 GLN A 92 20.146 32.006 13.530 1.00 19.31 O ATOM 715 NE2 GLN A 92 21.551 30.285 13.693 1.00 18.76 N ATOM 716 HE22 GLN A 92 22.345 29.765 13.267 1.00 0.00 H ATOM 717 HE21 GLN A 92 21.140 29.962 14.592 1.00 0.00 H ATOM 718 H GLN A 92 20.761 29.799 8.278 1.00 0.00 H ATOM 719 N CYS A 93 23.627 30.800 8.734 1.00 15.55 N ATOM 720 CA CYS A 93 25.062 30.951 8.584 1.00 16.97 C ATOM 721 C CYS A 93 25.613 30.749 7.159 1.00 18.97 C ATOM 722 O CYS A 93 26.781 31.081 6.939 1.00 19.96 O ATOM 723 CB CYS A 93 25.799 30.037 9.533 1.00 18.54 C ATOM 724 SG CYS A 93 25.916 28.298 9.015 1.00 18.32 S ATOM 725 H CYS A 93 23.210 29.847 8.753 1.00 0.00 H ATOM 726 N GLY A 94 24.797 30.262 6.239 1.00 17.02 N ATOM 727 CA GLY A 94 25.280 30.076 4.862 1.00 18.24 C ATOM 728 C GLY A 94 25.959 28.759 4.558 1.00 17.97 C ATOM 729 O GLY A 94 26.344 28.527 3.402 1.00 19.90 O ATOM 730 H GLY A 94 23.819 30.012 6.488 1.00 0.00 H ATOM 731 N SER A 95 26.089 27.898 5.547 1.00 17.17 N ATOM 732 CA SER A 95 26.694 26.555 5.354 1.00 17.00 C ATOM 733 C SER A 95 25.903 25.772 4.321 1.00 16.14 C ATOM 734 O SER A 95 24.674 25.781 4.308 1.00 15.93 O ATOM 735 CB SER A 95 26.652 25.783 6.661 1.00 22.47 C ATOM 736 OG SER A 95 27.201 24.454 6.552 1.00 25.78 O ATOM 737 HG SER A 95 28.148 24.512 6.268 1.00 0.00 H ATOM 738 H SER A 95 25.757 28.168 6.495 1.00 0.00 H ATOM 739 N HIS A 96 26.619 25.095 3.414 1.00 17.58 N ATOM 740 CA HIS A 96 25.885 24.255 2.445 1.00 15.67 C ATOM 741 C HIS A 96 25.346 22.987 3.067 1.00 16.04 C ATOM 742 O HIS A 96 26.135 22.135 3.470 1.00 17.90 O ATOM 743 CB HIS A 96 26.789 23.916 1.255 1.00 17.04 C ATOM 744 CG HIS A 96 26.125 23.042 0.275 1.00 19.45 C ATOM 745 ND1 HIS A 96 26.842 22.191 -0.554 1.00 26.56 N ATOM 746 CD2 HIS A 96 24.824 22.921 -0.071 1.00 18.55 C ATOM 747 CE1 HIS A 96 25.992 21.540 -1.320 1.00 25.60 C ATOM 748 NE2 HIS A 96 24.768 21.960 -1.056 1.00 21.45 N ATOM 749 H HIS A 96 27.657 25.158 3.392 1.00 0.00 H ATOM 750 N LEU A 97 24.027 22.910 3.282 1.00 14.93 N ATOM 751 CA LEU A 97 23.417 21.813 3.968 1.00 15.41 C ATOM 752 C LEU A 97 22.880 20.724 3.056 1.00 15.69 C ATOM 753 O LEU A 97 22.648 19.610 3.492 1.00 15.74 O ATOM 754 CB LEU A 97 22.322 22.283 4.926 1.00 17.13 C ATOM 755 CG LEU A 97 22.859 23.135 6.086 1.00 17.89 C ATOM 756 CD1 LEU A 97 21.738 23.425 7.087 1.00 17.56 C ATOM 757 CD2 LEU A 97 24.073 22.614 6.777 1.00 19.64 C ATOM 758 H LEU A 97 23.420 23.680 2.936 1.00 0.00 H ATOM 759 N GLY A 98 22.640 21.059 1.785 1.00 16.32 N ATOM 760 CA GLY A 98 22.162 20.063 0.831 1.00 17.51 C ATOM 761 C GLY A 98 21.446 20.694 -0.335 1.00 15.48 C ATOM 762 O GLY A 98 21.921 21.704 -0.904 1.00 16.31 O ATOM 763 H GLY A 98 22.795 22.039 1.472 1.00 0.00 H ATOM 764 N TRP A 99 20.318 20.112 -0.720 1.00 14.91 N ATOM 765 CA TRP A 99 19.570 20.535 -1.927 1.00 14.66 C ATOM 766 C TRP A 99 18.060 20.387 -1.655 1.00 15.57 C ATOM 767 O TRP A 99 17.621 19.492 -0.902 1.00 16.80 O ATOM 768 CB TRP A 99 19.905 19.622 -3.111 1.00 17.26 C ATOM 769 CG TRP A 99 21.407 19.685 -3.514 1.00 17.48 C ATOM 770 CD1 TRP A 99 21.990 20.538 -4.381 1.00 18.52 C ATOM 771 CD2 TRP A 99 22.481 18.963 -2.877 1.00 16.24 C ATOM 772 NE1 TRP A 99 23.336 20.351 -4.378 1.00 19.32 N ATOM 773 CE2 TRP A 99 23.673 19.395 -3.455 1.00 17.42 C ATOM 774 CE3 TRP A 99 22.527 17.981 -1.890 1.00 18.11 C ATOM 775 CZ2 TRP A 99 24.926 18.852 -3.098 1.00 21.93 C ATOM 776 CZ3 TRP A 99 23.758 17.494 -1.493 1.00 19.86 C ATOM 777 CH2 TRP A 99 24.929 17.909 -2.110 1.00 19.81 C ATOM 778 HE1 TRP A 99 24.011 20.858 -4.986 1.00 0.00 H ATOM 779 H TRP A 99 19.943 19.326 -0.151 1.00 0.00 H ATOM 780 N HIS A 100 17.271 21.209 -2.336 1.00 16.62 N ATOM 781 CA HIS A 100 15.870 21.023 -2.498 1.00 16.07 C ATOM 782 C HIS A 100 15.577 20.496 -3.888 1.00 16.83 C ATOM 783 O HIS A 100 16.130 20.953 -4.863 1.00 19.27 O ATOM 784 CB HIS A 100 15.093 22.319 -2.266 1.00 19.00 C ATOM 785 CG HIS A 100 13.621 22.160 -2.260 1.00 19.23 C ATOM 786 ND1 HIS A 100 12.829 22.752 -3.196 1.00 27.12 N ATOM 787 CD2 HIS A 100 12.783 21.451 -1.467 1.00 19.05 C ATOM 788 CE1 HIS A 100 11.565 22.481 -2.944 1.00 25.91 C ATOM 789 NE2 HIS A 100 11.515 21.694 -1.896 1.00 21.85 N ATOM 790 H HIS A 100 17.705 22.043 -2.780 1.00 0.00 H ATOM 791 N TYR A 101 14.770 19.474 -3.917 1.00 16.71 N ATOM 792 CA TYR A 101 14.388 18.817 -5.177 1.00 18.34 C ATOM 793 C TYR A 101 12.920 19.098 -5.482 1.00 18.49 C ATOM 794 O TYR A 101 12.084 19.089 -4.565 1.00 18.92 O ATOM 795 CB TYR A 101 14.598 17.331 -5.044 1.00 16.04 C ATOM 796 CG TYR A 101 16.071 16.943 -5.056 1.00 15.94 C ATOM 797 CD1 TYR A 101 16.768 16.830 -6.259 1.00 18.41 C ATOM 798 CD2 TYR A 101 16.765 16.787 -3.841 1.00 18.02 C ATOM 799 CE1 TYR A 101 18.138 16.535 -6.265 1.00 17.42 C ATOM 800 CE2 TYR A 101 18.119 16.480 -3.811 1.00 16.94 C ATOM 801 CZ TYR A 101 18.810 16.413 -5.011 1.00 17.23 C ATOM 802 OH TYR A 101 20.193 16.090 -4.983 1.00 19.51 O ATOM 803 HH TYR A 101 20.547 16.080 -5.907 1.00 0.00 H ATOM 804 H TYR A 101 14.384 19.111 -3.022 1.00 0.00 H ATOM 805 N GLU A 102 12.627 19.382 -6.755 1.00 19.02 N ATOM 806 CA GLU A 102 11.272 19.672 -7.210 1.00 16.80 C ATOM 807 C GLU A 102 11.099 19.161 -8.643 1.00 19.13 C ATOM 808 O GLU A 102 12.060 18.653 -9.245 1.00 21.49 O ATOM 809 CB GLU A 102 10.946 21.156 -7.095 1.00 19.61 C ATOM 810 CG GLU A 102 11.772 22.047 -8.024 1.00 33.78 C ATOM 811 CD GLU A 102 11.620 23.515 -7.620 1.00 51.52 C ATOM 812 OE1 GLU A 102 10.568 24.110 -7.876 1.00 41.80 O ATOM 813 OE2 GLU A 102 12.538 24.073 -7.017 1.00 45.71 O ATOM 814 H GLU A 102 13.399 19.397 -7.452 1.00 0.00 H ATOM 815 N GLY A 103 9.899 19.285 -9.163 1.00 22.05 N ATOM 816 CA GLY A 103 9.604 18.957 -10.529 1.00 20.93 C ATOM 817 C GLY A 103 9.380 17.490 -10.865 1.00 23.52 C ATOM 818 O GLY A 103 9.244 17.090 -12.034 1.00 23.61 O ATOM 819 H GLY A 103 9.129 19.636 -8.559 1.00 0.00 H ATOM 820 N GLY A 104 9.385 16.672 -9.799 1.00 20.97 N ATOM 821 CA GLY A 104 9.235 15.241 -9.947 1.00 21.85 C ATOM 822 C GLY A 104 7.849 14.757 -9.592 1.00 22.33 C ATOM 823 O GLY A 104 6.824 15.463 -9.723 1.00 24.20 O ATOM 824 H GLY A 104 9.499 17.076 -8.848 1.00 0.00 H ATOM 825 N SER A 105 7.787 13.474 -9.215 1.00 22.94 N ATOM 826 CA SER A 105 6.526 12.816 -8.975 1.00 24.78 C ATOM 827 C SER A 105 6.597 11.888 -7.742 1.00 31.50 C ATOM 828 O SER A 105 7.564 11.145 -7.574 1.00 28.01 O ATOM 829 CB SER A 105 6.128 11.990 -10.147 1.00 30.82 C ATOM 830 OG SER A 105 6.021 12.740 -11.368 1.00 26.94 O ATOM 831 HG SER A 105 6.896 13.152 -11.579 1.00 0.00 H ATOM 832 H SER A 105 8.670 12.938 -9.092 1.00 0.00 H ATOM 833 N GLN A 106 5.604 12.018 -6.876 1.00 28.11 N ATOM 834 CA GLN A 106 5.370 11.093 -5.744 1.00 29.67 C ATOM 835 C GLN A 106 6.686 10.847 -4.910 1.00 26.82 C ATOM 836 O GLN A 106 7.189 9.712 -4.866 1.00 28.98 O ATOM 837 CB GLN A 106 4.741 9.804 -6.217 1.00 32.89 C ATOM 838 CG GLN A 106 4.157 8.982 -5.059 1.00 42.43 C ATOM 839 CD GLN A 106 3.162 7.894 -5.440 1.00 47.41 C ATOM 840 OE1 GLN A 106 3.052 7.464 -6.580 1.00 50.79 O ATOM 841 NE2 GLN A 106 2.420 7.438 -4.449 1.00 54.13 N ATOM 842 HE22 GLN A 106 2.538 7.825 -3.491 1.00 0.00 H ATOM 843 HE21 GLN A 106 1.717 6.692 -4.626 1.00 0.00 H ATOM 844 H GLN A 106 4.950 12.817 -6.998 1.00 0.00 H ATOM 845 N PRO A 107 7.195 11.867 -4.244 1.00 23.07 N ATOM 846 CA PRO A 107 6.624 13.209 -4.152 1.00 25.62 C ATOM 847 C PRO A 107 7.096 14.200 -5.221 1.00 24.47 C ATOM 848 O PRO A 107 8.090 13.957 -5.882 1.00 23.87 O ATOM 849 CB PRO A 107 7.062 13.644 -2.786 1.00 29.43 C ATOM 850 CG PRO A 107 8.451 13.132 -2.670 1.00 26.20 C ATOM 851 CD PRO A 107 8.353 11.766 -3.319 1.00 22.62 C ATOM 852 N GLN A 108 6.346 15.301 -5.385 1.00 24.94 N ATOM 853 CA GLN A 108 6.817 16.374 -6.295 1.00 25.45 C ATOM 854 C GLN A 108 8.104 16.994 -5.825 1.00 21.66 C ATOM 855 O GLN A 108 8.930 17.335 -6.650 1.00 21.29 O ATOM 856 CB GLN A 108 5.724 17.438 -6.532 1.00 22.85 C ATOM 857 CG GLN A 108 4.546 16.936 -7.300 1.00 23.39 C ATOM 858 CD GLN A 108 3.484 17.975 -7.471 1.00 26.31 C ATOM 859 OE1 GLN A 108 3.087 18.598 -6.495 1.00 30.67 O ATOM 860 NE2 GLN A 108 3.077 18.209 -8.654 1.00 28.75 N ATOM 861 HE22 GLN A 108 3.445 17.651 -9.451 1.00 0.00 H ATOM 862 HE21 GLN A 108 2.376 18.958 -8.824 1.00 0.00 H ATOM 863 H GLN A 108 5.443 15.401 -4.879 1.00 0.00 H ATOM 864 N THR A 109 8.262 17.132 -4.502 1.00 20.84 N ATOM 865 CA THR A 109 9.381 17.803 -3.900 1.00 18.43 C ATOM 866 C THR A 109 9.894 17.072 -2.650 1.00 21.54 C ATOM 867 O THR A 109 9.134 16.352 -1.931 1.00 23.31 O ATOM 868 CB THR A 109 8.994 19.236 -3.445 1.00 25.52 C ATOM 869 OG1 THR A 109 8.045 19.190 -2.360 1.00 27.00 O ATOM 870 CG2 THR A 109 8.349 19.998 -4.564 1.00 25.03 C ATOM 871 HG1 THR A 109 8.445 18.708 -1.593 1.00 0.00 H ATOM 872 H THR A 109 7.535 16.731 -3.876 1.00 0.00 H ATOM 873 N PHE A 110 11.156 17.304 -2.351 1.00 19.27 N ATOM 874 CA PHE A 110 11.731 16.817 -1.064 1.00 18.73 C ATOM 875 C PHE A 110 13.067 17.498 -0.855 1.00 17.50 C ATOM 876 O PHE A 110 13.531 18.208 -1.735 1.00 17.79 O ATOM 877 CB PHE A 110 11.857 15.285 -1.026 1.00 19.51 C ATOM 878 CG PHE A 110 12.887 14.728 -1.949 1.00 19.45 C ATOM 879 CD1 PHE A 110 12.616 14.510 -3.313 1.00 17.66 C ATOM 880 CD2 PHE A 110 14.165 14.420 -1.498 1.00 19.19 C ATOM 881 CE1 PHE A 110 13.599 14.070 -4.178 1.00 19.97 C ATOM 882 CE2 PHE A 110 15.141 13.928 -2.395 1.00 21.71 C ATOM 883 CZ PHE A 110 14.855 13.782 -3.737 1.00 20.37 C ATOM 884 H PHE A 110 11.756 17.831 -3.018 1.00 0.00 H ATOM 885 N PHE A 111 13.708 17.240 0.297 1.00 16.14 N ATOM 886 CA PHE A 111 15.032 17.763 0.601 1.00 15.12 C ATOM 887 C PHE A 111 16.026 16.637 0.760 1.00 15.64 C ATOM 888 O PHE A 111 15.769 15.617 1.368 1.00 17.30 O ATOM 889 CB PHE A 111 15.049 18.623 1.902 1.00 16.00 C ATOM 890 CG PHE A 111 14.194 19.824 1.870 1.00 16.51 C ATOM 891 CD1 PHE A 111 12.831 19.721 2.098 1.00 19.05 C ATOM 892 CD2 PHE A 111 14.763 21.080 1.664 1.00 19.82 C ATOM 893 CE1 PHE A 111 12.014 20.856 2.093 1.00 23.47 C ATOM 894 CE2 PHE A 111 13.915 22.211 1.660 1.00 19.99 C ATOM 895 CZ PHE A 111 12.600 22.100 1.891 1.00 20.71 C ATOM 896 H PHE A 111 13.237 16.640 1.004 1.00 0.00 H ATOM 897 N GLY A 112 17.207 16.836 0.176 1.00 14.86 N ATOM 898 CA GLY A 112 18.320 15.943 0.406 1.00 16.59 C ATOM 899 C GLY A 112 19.374 16.708 1.166 1.00 16.44 C ATOM 900 O GLY A 112 19.982 17.656 0.626 1.00 16.19 O ATOM 901 H GLY A 112 17.331 17.651 -0.458 1.00 0.00 H ATOM 902 N LEU A 113 19.565 16.288 2.423 1.00 16.05 N ATOM 903 CA LEU A 113 20.440 17.037 3.321 1.00 15.57 C ATOM 904 C LEU A 113 21.666 16.185 3.629 1.00 15.23 C ATOM 905 O LEU A 113 21.628 14.956 3.767 1.00 17.30 O ATOM 906 CB LEU A 113 19.717 17.405 4.605 1.00 15.00 C ATOM 907 CG LEU A 113 18.491 18.311 4.404 1.00 15.58 C ATOM 908 CD1 LEU A 113 17.872 18.696 5.739 1.00 18.50 C ATOM 909 CD2 LEU A 113 18.812 19.542 3.563 1.00 18.41 C ATOM 910 H LEU A 113 19.089 15.427 2.760 1.00 0.00 H ATOM 911 N ILE A 114 22.815 16.853 3.778 1.00 16.03 N ATOM 912 CA ILE A 114 24.100 16.180 3.994 1.00 16.37 C ATOM 913 C ILE A 114 24.226 15.807 5.493 1.00 15.58 C ATOM 914 O ILE A 114 24.298 16.726 6.360 1.00 17.39 O ATOM 915 CB ILE A 114 25.264 17.104 3.574 1.00 16.88 C ATOM 916 CG1 ILE A 114 25.166 17.486 2.071 1.00 17.88 C ATOM 917 CG2 ILE A 114 26.594 16.445 3.880 1.00 18.50 C ATOM 918 CD1 ILE A 114 25.933 18.738 1.693 1.00 19.55 C ATOM 919 H ILE A 114 22.796 17.892 3.739 1.00 0.00 H ATOM 920 N LYS A 115 24.226 14.526 5.807 1.00 17.41 N ATOM 921 CA LYS A 115 24.041 14.076 7.182 1.00 17.97 C ATOM 922 C LYS A 115 25.034 14.700 8.169 1.00 19.17 C ATOM 923 O LYS A 115 24.680 15.074 9.295 1.00 20.59 O ATOM 924 CB LYS A 115 24.045 12.565 7.239 1.00 22.38 C ATOM 925 CG LYS A 115 23.688 11.965 8.587 1.00 30.58 C ATOM 926 CD LYS A 115 24.868 11.566 9.438 1.00 34.41 C ATOM 927 CE LYS A 115 24.451 10.386 10.336 1.00 48.20 C ATOM 928 NZ LYS A 115 25.271 10.032 11.539 1.00 30.72 N ATOM 929 HZ1 LYS A 115 26.237 9.791 11.240 1.00 0.00 H ATOM 930 HZ2 LYS A 115 25.300 10.844 12.188 1.00 0.00 H ATOM 931 HZ3 LYS A 115 24.843 9.216 12.021 1.00 0.00 H ATOM 932 H LYS A 115 24.361 13.820 5.056 1.00 0.00 H ATOM 933 N ASP A 116 26.309 14.707 7.777 1.00 17.78 N ATOM 934 CA ASP A 116 27.358 15.156 8.679 1.00 18.82 C ATOM 935 C ASP A 116 27.389 16.687 8.833 1.00 17.66 C ATOM 936 O ASP A 116 28.232 17.182 9.611 1.00 20.81 O ATOM 937 CB ASP A 116 28.713 14.605 8.250 1.00 18.43 C ATOM 938 CG ASP A 116 28.978 14.759 6.751 1.00 24.88 C ATOM 939 OD1 ASP A 116 28.260 14.120 5.958 1.00 26.24 O ATOM 940 OD2 ASP A 116 30.021 15.362 6.453 1.00 25.67 O ATOM 941 H ASP A 116 26.555 14.389 6.818 1.00 0.00 H ATOM 942 N ARG A 117 26.521 17.409 8.141 1.00 15.34 N ATOM 943 CA ARG A 117 26.488 18.833 8.349 1.00 17.73 C ATOM 944 C ARG A 117 25.349 19.209 9.316 1.00 14.79 C ATOM 945 O ARG A 117 25.070 20.395 9.526 1.00 16.79 O ATOM 946 CB ARG A 117 26.490 19.554 7.004 1.00 17.58 C ATOM 947 CG ARG A 117 27.682 19.157 6.146 1.00 17.89 C ATOM 948 CD ARG A 117 27.799 20.012 4.913 1.00 22.79 C ATOM 949 NE ARG A 117 28.837 19.423 4.109 1.00 20.64 N ATOM 950 CZ ARG A 117 29.215 19.893 2.947 1.00 19.62 C ATOM 951 NH1 ARG A 117 28.639 20.992 2.476 1.00 18.55 N ATOM 952 NH2 ARG A 117 30.152 19.235 2.284 1.00 22.63 N ATOM 953 HE ARG A 117 29.315 18.574 4.472 1.00 0.00 H ATOM 954 HH12 ARG A 117 28.929 21.377 1.554 1.00 0.00 H ATOM 955 HH11 ARG A 117 27.898 21.468 3.028 1.00 0.00 H ATOM 956 HH22 ARG A 117 30.475 19.582 1.358 1.00 0.00 H ATOM 957 HH21 ARG A 117 30.566 18.371 2.689 1.00 0.00 H ATOM 958 H ARG A 117 25.877 16.957 7.461 1.00 0.00 H ATOM 959 N LEU A 118 24.675 18.217 9.901 1.00 16.00 N ATOM 960 CA LEU A 118 23.559 18.445 10.847 1.00 16.43 C ATOM 961 C LEU A 118 23.975 17.905 12.192 1.00 16.98 C ATOM 962 O LEU A 118 24.772 16.970 12.286 1.00 18.85 O ATOM 963 CB LEU A 118 22.269 17.727 10.396 1.00 15.82 C ATOM 964 CG LEU A 118 21.800 18.055 8.983 1.00 18.18 C ATOM 965 CD1 LEU A 118 20.706 17.076 8.575 1.00 19.16 C ATOM 966 CD2 LEU A 118 21.361 19.503 8.958 1.00 21.88 C ATOM 967 H LEU A 118 24.946 17.237 9.682 1.00 0.00 H ATOM 968 N ALA A 119 23.393 18.463 13.265 1.00 16.25 N ATOM 969 CA ALA A 119 23.512 17.909 14.624 1.00 14.70 C ATOM 970 C ALA A 119 22.135 17.485 15.116 1.00 16.56 C ATOM 971 O ALA A 119 21.180 18.227 14.882 1.00 17.79 O ATOM 972 CB ALA A 119 24.058 18.955 15.567 1.00 18.15 C ATOM 973 H ALA A 119 22.831 19.328 13.130 1.00 0.00 H ATOM 974 N GLU A 120 22.039 16.285 15.694 1.00 16.32 N ATOM 975 CA GLU A 120 20.790 15.739 16.177 1.00 18.75 C ATOM 976 C GLU A 120 20.639 15.915 17.667 1.00 19.56 C ATOM 977 O GLU A 120 21.566 15.707 18.448 1.00 19.73 O ATOM 978 CB GLU A 120 20.653 14.257 15.775 1.00 22.26 C ATOM 979 CG GLU A 120 19.240 13.724 16.064 1.00 32.25 C ATOM 980 CD GLU A 120 18.936 12.351 15.481 1.00 47.04 C ATOM 981 OE1 GLU A 120 19.866 11.685 14.998 1.00 42.38 O ATOM 982 OE2 GLU A 120 17.751 11.953 15.497 1.00 42.15 O ATOM 983 H GLU A 120 22.903 15.716 15.802 1.00 0.00 H ATOM 984 N GLY A 121 19.428 16.233 18.151 1.00 20.91 N ATOM 985 CA GLY A 121 19.260 16.412 19.568 1.00 19.72 C ATOM 986 C GLY A 121 17.801 16.638 19.962 1.00 21.58 C ATOM 987 O GLY A 121 16.877 16.362 19.180 1.00 23.74 O ATOM 988 H GLY A 121 18.619 16.349 17.508 1.00 0.00 H ATOM 989 N PRO A 122 17.602 16.989 21.201 1.00 24.10 N ATOM 990 CA PRO A 122 16.256 17.002 21.742 1.00 28.95 C ATOM 991 C PRO A 122 15.417 18.154 21.153 1.00 26.52 C ATOM 992 O PRO A 122 15.934 19.174 20.816 1.00 29.35 O ATOM 993 CB PRO A 122 16.467 17.142 23.244 1.00 33.22 C ATOM 994 CG PRO A 122 17.880 17.563 23.439 1.00 30.59 C ATOM 995 CD PRO A 122 18.649 17.208 22.218 1.00 24.47 C ATOM 996 N ALA A 123 14.103 17.950 21.076 1.00 31.75 N ATOM 997 CA ALA A 123 13.201 19.042 20.726 1.00 37.06 C ATOM 998 C ALA A 123 13.072 19.823 22.035 1.00 46.11 C ATOM 999 O ALA A 123 13.252 21.019 22.037 1.00 59.21 O ATOM 1000 CB ALA A 123 11.850 18.521 20.272 1.00 56.46 C ATOM 1001 H ALA A 123 13.716 17.004 21.267 1.00 0.00 H TER 1002 ALA A 123 HETATM 1003 ZN ZN A 1 24.067 27.292 10.035 1.00 16.50 ZN HETATM 1004 O HOH 2 14.454 27.129 11.716 1.00 25.19 O HETATM 1005 O HOH 3 13.794 24.332 -5.095 1.00 43.83 O HETATM 1006 O HOH 4 22.205 32.014 4.056 1.00 40.21 O HETATM 1007 O HOH 5 9.298 23.305 13.082 1.00 53.72 O HETATM 1008 O HOH 6 9.980 23.242 -10.133 1.00 35.00 O HETATM 1009 O HOH 7 8.131 15.724 0.289 1.00 35.70 O HETATM 1010 O HOH 8 33.961 15.198 -13.434 1.00 43.70 O HETATM 1011 O HOH 9 30.501 17.490 5.085 1.00 37.63 O HETATM 1012 O HOH 10 32.147 17.597 2.365 1.00 44.27 O HETATM 1013 O HOH 11 28.728 13.601 3.464 1.00 22.62 O HETATM 1014 O HOH 12 31.650 16.533 8.095 1.00 23.42 O HETATM 1015 O HOH 13 23.176 23.252 -13.296 1.00 31.79 O HETATM 1016 O HOH 14 14.998 18.997 -16.005 1.00 23.19 O HETATM 1017 O HOH 15 14.670 22.570 -7.155 1.00 39.33 O HETATM 1018 O HOH 16 21.011 26.277 -6.961 1.00 26.30 O HETATM 1019 O HOH 17 29.813 24.809 6.599 1.00 37.11 O HETATM 1020 O HOH 18 24.525 3.631 6.669 1.00 52.27 O HETATM 1021 O HOH 19 15.050 30.227 6.238 1.00 32.52 O HETATM 1022 O HOH 20 14.329 16.596 -14.028 1.00 36.62 O HETATM 1023 O HOH 21 29.959 23.092 15.596 1.00 28.37 O HETATM 1024 O HOH 22 10.784 21.343 14.177 1.00 47.57 O HETATM 1025 O HOH 23 8.493 11.627 5.387 1.00 24.89 O HETATM 1026 O HOH 24 23.190 9.374 13.129 1.00 46.08 O HETATM 1027 O HOH 25 32.262 20.931 10.660 1.00 34.84 O HETATM 1028 O HOH 26 23.860 14.327 11.758 1.00 30.17 O HETATM 1029 O HOH 27 11.636 8.660 10.979 1.00 37.94 O HETATM 1030 O HOH 28 28.241 32.866 8.363 1.00 34.55 O HETATM 1031 O HOH 29 9.331 9.585 8.598 1.00 39.93 O HETATM 1032 O HOH 30 25.233 20.818 -6.442 1.00 26.55 O HETATM 1033 O HOH 31 9.319 21.299 -0.335 1.00 41.19 O HETATM 1034 O HOH 32 15.443 30.230 -4.992 1.00 36.11 O HETATM 1035 O HOH 33 12.871 9.236 -8.837 1.00 37.16 O HETATM 1036 O HOH 34 16.365 21.868 20.451 1.00 29.05 O HETATM 1037 O HOH 35 6.258 18.110 -10.235 1.00 20.73 O HETATM 1038 O HOH 36 20.080 24.935 -9.238 1.00 25.01 O HETATM 1039 O HOH 37 23.530 5.888 -3.624 1.00 45.24 O HETATM 1040 O HOH 38 10.640 15.856 -14.282 1.00 22.83 O HETATM 1041 O HOH 39 20.297 28.515 -10.245 1.00 44.25 O HETATM 1042 O HOH 40 16.167 12.993 -14.231 1.00 39.24 O HETATM 1043 O HOH 41 11.254 14.019 15.059 1.00 27.82 O HETATM 1044 O HOH 42 12.564 22.629 24.239 1.00 57.71 O HETATM 1045 O HOH 43 27.404 30.520 1.717 1.00 48.22 O HETATM 1046 O HOH 44 6.628 18.443 2.277 1.00 34.99 O HETATM 1047 O HOH 45 16.400 8.151 -8.947 1.00 36.34 O HETATM 1048 O HOH 46 30.117 15.615 2.128 1.00 35.53 O HETATM 1049 O HOH 47 8.719 12.532 -12.209 1.00 27.75 O HETATM 1050 O HOH 48 23.188 16.062 -16.622 1.00 40.26 O HETATM 1051 O HOH 49 3.700 15.183 -4.321 1.00 28.07 O HETATM 1052 O HOH 50 7.314 20.299 -8.497 1.00 30.93 O HETATM 1053 O HOH 51 9.949 9.842 -8.454 1.00 43.33 O HETATM 1054 O HOH 52 29.476 25.075 3.502 1.00 27.91 O HETATM 1055 O HOH 53 26.833 22.609 8.742 1.00 20.97 O HETATM 1056 O HOH 54 29.609 21.568 -0.164 1.00 32.65 O HETATM 1057 O HOH 55 2.897 17.983 -3.705 1.00 36.20 O HETATM 1058 O HOH 56 9.579 18.983 0.111 1.00 33.36 O HETATM 1059 O HOH 57 28.401 11.304 6.498 1.00 33.59 O HETATM 1060 O HOH 58 18.853 33.560 4.494 1.00 39.12 O HETATM 1061 O HOH 59 26.037 12.682 12.387 1.00 24.16 O HETATM 1062 O HOH 60 31.026 20.566 14.956 1.00 33.47 O HETATM 1063 O HOH 61 5.799 17.366 -2.678 1.00 30.94 O HETATM 1064 O HOH 62 16.531 15.465 -13.666 1.00 42.26 O HETATM 1065 O HOH 63 14.069 7.220 12.167 1.00 45.70 O HETATM 1066 O HOH 64 13.177 21.263 12.893 1.00 43.84 O HETATM 1067 O HOH 65 5.226 17.243 11.981 1.00 43.00 O HETATM 1068 O HOH 66 14.836 4.430 5.323 1.00 54.59 O HETATM 1069 O HOH 67 18.355 32.985 -4.942 1.00 52.49 O HETATM 1070 O HOH 68 29.150 30.488 5.184 1.00 51.44 O HETATM 1071 O HOH 69 27.918 20.233 -4.973 1.00 42.32 O HETATM 1072 O HOH 70 10.232 11.835 -10.144 1.00 24.93 O HETATM 1073 O HOH 71 13.310 23.744 20.534 1.00 57.68 O HETATM 1074 O HOH 72 13.201 29.104 10.412 1.00 37.45 O HETATM 1075 O HOH 73 30.712 19.599 -8.874 1.00 39.30 O HETATM 1076 O HOH 74 21.230 7.493 13.097 1.00 51.85 O HETATM 1077 O HOH 75 25.609 21.847 -12.318 1.00 45.11 O HETATM 1078 O HOH 76 5.476 21.138 -6.301 1.00 48.33 O HETATM 1079 O HOH 77 22.371 25.146 -10.853 1.00 48.15 O HETATM 1080 O HOH 78 6.944 9.442 4.613 1.00 41.79 O HETATM 1081 O HOH 79 23.472 27.624 -7.715 1.00 50.70 O HETATM 1082 O HOH 80 26.675 20.748 -10.144 1.00 40.69 O HETATM 1083 O HOH 81 26.355 22.769 -8.074 1.00 42.11 O HETATM 1084 O HOH 82 25.040 25.229 -9.134 1.00 39.87 O HETATM 1085 O7 UNN A 83 21.440 16.114 -7.492 1.00 -0.38 O HETATM 1086 C7 UNN A 83 22.480 16.873 -7.573 1.00 0.22 C HETATM 1087 C1 UNN A 83 22.698 18.085 -6.714 1.00 0.07 C HETATM 1088 N2 UNN A 83 24.028 18.507 -7.212 1.00 -0.35 N HETATM 1089 C8 UNN A 83 24.361 17.549 -8.103 1.00 0.18 C HETATM 1090 N1 UNN A 83 23.488 16.525 -8.407 1.00 -0.19 N HETATM 1091 H3 UNN A 83 23.573 15.761 -9.046 1.00 0.24 H HETATM 1092 S8 UNN A 83 25.917 17.648 -8.975 1.00 -0.05 S HETATM 1093 H4 UNN A 83 26.438 18.444 -8.642 1.00 0.14 H HETATM 1094 H1 UNN A 83 22.723 17.830 -5.644 1.00 0.05 H HETATM 1095 H2 UNN A 83 21.932 18.855 -6.889 1.00 0.05 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 1085 1086 CONECT 1086 1085 1087 1090 CONECT 1087 1086 1088 1094 1095 CONECT 1088 1087 1089 CONECT 1089 1088 1090 1092 CONECT 1090 1086 1089 1091 CONECT 1091 1090 CONECT 1092 1089 1093 CONECT 1093 1092 CONECT 1094 1087 CONECT 1095 1087 MASTER 0 0 0 0 0 0 0 0 1094 1 20 9 END
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Pocket-Ligand
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Related entries of code: 5oha
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_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%
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
5oha
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
9UW
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=13uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acs Omega Vol. 3: pp. 11163-11171
Ligand Properties
Formula
C
3
H
4
N
2
OS
Molecular Weight
116.142
Exact Mass
116.004
No. of atoms
11
No. of bonds
11
Polar Surface Area
80.26
LOGP Value
-0.21 (
Computed with XLOGP3
)
-0.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
O=C1CN=C(N1)S
InChI String
InChI=1S/C3H4N2OS/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)
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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