Browse entries in the PDBbind-CN Database
HEADER 5OH7_COMPLEX COMPND 5OH7_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 HYN A 183 11 ATOM 1 N ALA A 19 10.204 12.965 19.077 1.00 49.63 N ATOM 2 CA ALA A 19 11.417 12.531 18.305 1.00 48.44 C ATOM 3 C ALA A 19 12.388 13.693 18.065 1.00 46.39 C ATOM 4 O ALA A 19 12.110 14.890 18.221 1.00 50.71 O ATOM 5 CB ALA A 19 11.039 11.842 16.991 1.00 47.93 C ATOM 6 HN3 ALA A 19 9.702 13.705 18.545 1.00 0.00 H ATOM 7 HN2 ALA A 19 10.499 13.340 20.001 1.00 0.00 H ATOM 8 HN1 ALA A 19 9.574 12.150 19.217 1.00 0.00 H ATOM 9 N SER A 20 13.567 13.325 17.647 1.00 56.78 N ATOM 10 CA SER A 20 14.610 14.255 17.623 1.00 28.95 C ATOM 11 C SER A 20 14.488 15.186 16.402 1.00 25.18 C ATOM 12 O SER A 20 13.769 14.896 15.412 1.00 31.80 O ATOM 13 CB SER A 20 15.869 13.437 17.565 1.00 42.25 C ATOM 14 OG SER A 20 15.795 12.604 16.414 1.00 52.22 O ATOM 15 HG SER A 20 16.616 12.053 16.353 1.00 0.00 H ATOM 16 H SER A 20 13.730 12.347 17.334 1.00 0.00 H ATOM 17 N ILE A 21 15.171 16.305 16.485 1.00 20.69 N ATOM 18 CA ILE A 21 15.232 17.248 15.374 1.00 24.30 C ATOM 19 C ILE A 21 16.627 17.473 14.875 1.00 23.87 C ATOM 20 O ILE A 21 17.585 17.136 15.538 1.00 25.16 O ATOM 21 CB ILE A 21 14.547 18.562 15.651 1.00 40.91 C ATOM 22 CG1 ILE A 21 15.327 19.338 16.625 1.00 25.90 C ATOM 23 CG2 ILE A 21 13.100 18.381 16.170 1.00 38.22 C ATOM 24 CD1 ILE A 21 14.960 20.787 16.638 1.00 44.46 C ATOM 25 H ILE A 21 15.681 16.524 17.365 1.00 0.00 H ATOM 26 N PHE A 22 16.750 17.987 13.664 1.00 16.24 N ATOM 27 CA PHE A 22 18.031 18.207 13.058 1.00 15.04 C ATOM 28 C PHE A 22 18.223 19.692 12.906 1.00 18.93 C ATOM 29 O PHE A 22 17.393 20.395 12.310 1.00 20.30 O ATOM 30 CB PHE A 22 18.104 17.526 11.653 1.00 17.96 C ATOM 31 CG PHE A 22 18.058 16.025 11.696 1.00 18.64 C ATOM 32 CD1 PHE A 22 16.818 15.298 11.665 1.00 18.26 C ATOM 33 CD2 PHE A 22 19.209 15.324 11.923 1.00 19.69 C ATOM 34 CE1 PHE A 22 16.836 13.887 11.786 1.00 19.87 C ATOM 35 CE2 PHE A 22 19.204 13.929 12.026 1.00 26.10 C ATOM 36 CZ PHE A 22 18.023 13.223 11.938 1.00 23.51 C ATOM 37 H PHE A 22 15.892 18.240 13.134 1.00 0.00 H ATOM 38 N ARG A 23 19.394 20.139 13.362 1.00 19.21 N ATOM 39 CA ARG A 23 19.827 21.503 13.197 1.00 18.46 C ATOM 40 C ARG A 23 21.087 21.571 12.352 1.00 15.73 C ATOM 41 O ARG A 23 21.832 20.609 12.176 1.00 16.48 O ATOM 42 CB ARG A 23 20.120 22.095 14.610 1.00 19.17 C ATOM 43 CG ARG A 23 18.911 22.220 15.480 1.00 20.91 C ATOM 44 CD ARG A 23 19.235 22.829 16.814 1.00 22.62 C ATOM 45 NE ARG A 23 17.988 22.965 17.541 1.00 21.51 N ATOM 46 CZ ARG A 23 17.125 23.946 17.380 1.00 30.21 C ATOM 47 NH1 ARG A 23 17.401 24.958 16.534 1.00 28.17 N ATOM 48 NH2 ARG A 23 15.957 23.893 18.017 1.00 31.72 N ATOM 49 HE ARG A 23 17.758 22.232 18.242 1.00 0.00 H ATOM 50 HH12 ARG A 23 16.718 25.732 16.408 1.00 0.00 H ATOM 51 HH11 ARG A 23 18.297 24.965 16.007 1.00 0.00 H ATOM 52 HH22 ARG A 23 15.265 24.661 17.899 1.00 0.00 H ATOM 53 HH21 ARG A 23 15.736 23.084 18.632 1.00 0.00 H ATOM 54 H ARG A 23 20.021 19.474 13.858 1.00 0.00 H ATOM 55 N CYS A 24 21.371 22.750 11.789 1.00 16.43 N ATOM 56 CA CYS A 24 22.629 22.952 11.134 1.00 17.49 C ATOM 57 C CYS A 24 23.772 22.806 12.085 1.00 20.01 C ATOM 58 O CYS A 24 23.797 23.422 13.149 1.00 17.98 O ATOM 59 CB CYS A 24 22.651 24.348 10.469 1.00 19.69 C ATOM 60 SG CYS A 24 24.288 24.883 9.809 1.00 19.43 S ATOM 61 H CYS A 24 20.676 23.523 11.827 1.00 0.00 H ATOM 62 N ARG A 25 24.748 22.007 11.706 1.00 17.82 N ATOM 63 CA ARG A 25 25.868 21.726 12.556 1.00 21.12 C ATOM 64 C ARG A 25 26.699 22.966 12.838 1.00 22.92 C ATOM 65 O ARG A 25 27.313 23.056 13.889 1.00 21.76 O ATOM 66 CB ARG A 25 26.726 20.682 11.876 1.00 23.38 C ATOM 67 CG ARG A 25 27.983 20.344 12.576 1.00 23.02 C ATOM 68 CD ARG A 25 28.653 19.189 11.912 1.00 22.47 C ATOM 69 NE ARG A 25 29.950 19.039 12.537 1.00 23.05 N ATOM 70 CZ ARG A 25 30.883 18.188 12.125 1.00 19.87 C ATOM 71 NH1 ARG A 25 32.016 18.203 12.752 1.00 24.16 N ATOM 72 NH2 ARG A 25 30.673 17.280 11.132 1.00 19.81 N ATOM 73 HE ARG A 25 30.165 19.636 13.361 1.00 0.00 H ATOM 74 HH12 ARG A 25 32.777 17.555 12.466 1.00 0.00 H ATOM 75 HH11 ARG A 25 32.165 18.863 13.542 1.00 0.00 H ATOM 76 HH22 ARG A 25 31.438 16.635 10.847 1.00 0.00 H ATOM 77 HH21 ARG A 25 29.748 17.231 10.659 1.00 0.00 H ATOM 78 H ARG A 25 24.705 21.568 10.764 1.00 0.00 H ATOM 79 N GLN A 26 26.803 23.855 11.843 1.00 23.00 N ATOM 80 CA GLN A 26 27.626 25.056 11.965 1.00 21.70 C ATOM 81 C GLN A 26 27.044 26.163 12.797 1.00 25.93 C ATOM 82 O GLN A 26 27.790 26.921 13.433 1.00 30.86 O ATOM 83 CB GLN A 26 28.044 25.561 10.562 1.00 27.16 C ATOM 84 CG GLN A 26 28.761 24.462 9.783 1.00 33.59 C ATOM 85 CD GLN A 26 29.988 23.946 10.512 1.00 58.37 C ATOM 86 OE1 GLN A 26 30.124 22.761 10.858 1.00 50.87 O ATOM 87 NE2 GLN A 26 30.882 24.861 10.781 1.00 43.44 N ATOM 88 HE22 GLN A 26 30.730 25.843 10.473 1.00 0.00 H ATOM 89 HE21 GLN A 26 31.745 24.607 11.303 1.00 0.00 H ATOM 90 H GLN A 26 26.283 23.686 10.958 1.00 0.00 H ATOM 91 N CYS A 27 25.741 26.242 12.912 1.00 22.64 N ATOM 92 CA CYS A 27 25.189 27.388 13.601 1.00 25.37 C ATOM 93 C CYS A 27 23.956 27.121 14.422 1.00 22.82 C ATOM 94 O CYS A 27 23.588 27.929 15.235 1.00 27.57 O ATOM 95 CB CYS A 27 24.853 28.477 12.584 1.00 29.92 C ATOM 96 SG CYS A 27 23.384 28.054 11.596 1.00 20.77 S ATOM 97 H CYS A 27 25.123 25.503 12.520 1.00 0.00 H ATOM 98 N GLY A 28 23.341 25.953 14.290 1.00 20.14 N ATOM 99 CA GLY A 28 22.199 25.660 15.082 1.00 19.01 C ATOM 100 C GLY A 28 20.836 25.942 14.546 1.00 20.96 C ATOM 101 O GLY A 28 19.821 25.567 15.132 1.00 19.56 O ATOM 102 H GLY A 28 23.695 25.253 13.607 1.00 0.00 H ATOM 103 N GLN A 29 20.781 26.506 13.342 1.00 21.57 N ATOM 104 CA GLN A 29 19.509 26.728 12.670 1.00 19.07 C ATOM 105 C GLN A 29 18.671 25.448 12.624 1.00 20.56 C ATOM 106 O GLN A 29 19.163 24.417 12.251 1.00 21.71 O ATOM 107 CB GLN A 29 19.809 27.182 11.232 1.00 23.43 C ATOM 108 CG GLN A 29 18.613 27.285 10.308 1.00 23.94 C ATOM 109 CD GLN A 29 17.992 28.638 10.395 1.00 21.31 C ATOM 110 OE1 GLN A 29 17.780 29.150 11.481 1.00 26.36 O ATOM 111 NE2 GLN A 29 17.714 29.242 9.238 1.00 28.06 N ATOM 112 HE22 GLN A 29 17.915 28.760 8.338 1.00 0.00 H ATOM 113 HE21 GLN A 29 17.296 30.194 9.236 1.00 0.00 H ATOM 114 H GLN A 29 21.663 26.794 12.872 1.00 0.00 H ATOM 115 N THR A 30 17.396 25.542 12.957 1.00 19.28 N ATOM 116 CA THR A 30 16.510 24.437 12.866 1.00 18.29 C ATOM 117 C THR A 30 16.250 24.096 11.390 1.00 19.75 C ATOM 118 O THR A 30 15.874 24.974 10.620 1.00 19.10 O ATOM 119 CB THR A 30 15.172 24.823 13.410 1.00 24.43 C ATOM 120 OG1 THR A 30 15.372 25.526 14.628 1.00 45.30 O ATOM 121 CG2 THR A 30 14.391 23.590 13.658 1.00 24.36 C ATOM 122 HG1 THR A 30 14.495 25.790 15.003 1.00 0.00 H ATOM 123 H THR A 30 17.030 26.454 13.296 1.00 0.00 H ATOM 124 N ILE A 31 16.365 22.820 11.049 1.00 16.77 N ATOM 125 CA ILE A 31 16.310 22.413 9.627 1.00 16.34 C ATOM 126 C ILE A 31 15.219 21.354 9.370 1.00 20.27 C ATOM 127 O ILE A 31 14.400 21.505 8.425 1.00 20.12 O ATOM 128 CB ILE A 31 17.666 21.917 9.067 1.00 14.82 C ATOM 129 CG1 ILE A 31 18.768 22.979 9.157 1.00 15.90 C ATOM 130 CG2 ILE A 31 17.535 21.476 7.599 1.00 18.38 C ATOM 131 CD1 ILE A 31 18.599 24.293 8.372 1.00 16.51 C ATOM 132 H ILE A 31 16.495 22.099 11.787 1.00 0.00 H ATOM 133 N SER A 32 15.256 20.252 10.116 1.00 20.49 N ATOM 134 CA SER A 32 14.305 19.213 9.903 1.00 18.02 C ATOM 135 C SER A 32 14.079 18.349 11.121 1.00 20.33 C ATOM 136 O SER A 32 14.495 18.701 12.212 1.00 20.89 O ATOM 137 CB SER A 32 14.696 18.371 8.671 1.00 21.99 C ATOM 138 OG SER A 32 13.539 17.621 8.276 1.00 21.75 O ATOM 139 HG SER A 32 12.804 18.245 8.050 1.00 0.00 H ATOM 140 H SER A 32 15.980 20.150 10.855 1.00 0.00 H ATOM 141 N ARG A 33 13.311 17.292 10.957 1.00 19.12 N ATOM 142 CA ARG A 33 12.922 16.445 12.071 1.00 20.15 C ATOM 143 C ARG A 33 13.022 15.003 11.699 1.00 21.69 C ATOM 144 O ARG A 33 12.770 14.604 10.540 1.00 20.07 O ATOM 145 CB ARG A 33 11.468 16.707 12.467 1.00 22.94 C ATOM 146 CG ARG A 33 11.115 18.167 12.754 1.00 28.90 C ATOM 147 CD ARG A 33 9.640 18.252 13.150 1.00 33.08 C ATOM 148 NE ARG A 33 9.498 17.680 14.486 1.00 38.04 N ATOM 149 CZ ARG A 33 9.692 18.357 15.626 1.00 50.81 C ATOM 150 NH1 ARG A 33 10.031 19.641 15.594 1.00 57.38 N ATOM 151 NH2 ARG A 33 9.548 17.756 16.809 1.00 44.43 N ATOM 152 HE ARG A 33 9.228 16.678 14.558 1.00 0.00 H ATOM 153 HH12 ARG A 33 10.180 20.162 16.482 1.00 0.00 H ATOM 154 HH11 ARG A 33 10.147 20.126 14.681 1.00 0.00 H ATOM 155 HH22 ARG A 33 9.701 18.292 17.687 1.00 0.00 H ATOM 156 HH21 ARG A 33 9.282 16.751 16.853 1.00 0.00 H ATOM 157 H ARG A 33 12.973 17.057 10.002 1.00 0.00 H ATOM 158 N ARG A 34 13.317 14.156 12.690 1.00 22.12 N ATOM 159 CA ARG A 34 13.385 12.722 12.415 1.00 21.70 C ATOM 160 C ARG A 34 12.015 12.182 11.914 1.00 24.33 C ATOM 161 O ARG A 34 12.004 11.294 11.095 1.00 23.99 O ATOM 162 CB ARG A 34 13.899 11.952 13.639 1.00 24.37 C ATOM 163 CG ARG A 34 13.859 10.469 13.459 1.00 33.18 C ATOM 164 CD ARG A 34 14.670 9.771 14.563 1.00 42.80 C ATOM 165 NE ARG A 34 16.111 9.937 14.282 1.00 41.72 N ATOM 166 CZ ARG A 34 16.838 9.166 13.457 1.00 36.67 C ATOM 167 NH1 ARG A 34 16.290 8.121 12.835 1.00 35.41 N ATOM 168 NH2 ARG A 34 18.121 9.398 13.274 1.00 45.93 N ATOM 169 HE ARG A 34 16.604 10.716 14.763 1.00 0.00 H ATOM 170 HH12 ARG A 34 16.866 7.534 12.199 1.00 0.00 H ATOM 171 HH11 ARG A 34 15.286 7.894 12.986 1.00 0.00 H ATOM 172 HH22 ARG A 34 18.672 8.793 12.632 1.00 0.00 H ATOM 173 HH21 ARG A 34 18.583 10.186 13.771 1.00 0.00 H ATOM 174 H ARG A 34 13.497 14.515 13.650 1.00 0.00 H ATOM 175 N ASP A 35 10.890 12.731 12.411 1.00 20.64 N ATOM 176 CA ASP A 35 9.553 12.365 11.948 1.00 23.43 C ATOM 177 C ASP A 35 9.340 12.614 10.433 1.00 20.60 C ATOM 178 O ASP A 35 8.426 12.078 9.855 1.00 24.01 O ATOM 179 CB ASP A 35 8.490 13.151 12.721 1.00 27.16 C ATOM 180 CG ASP A 35 8.279 12.644 14.105 1.00 42.18 C ATOM 181 OD1 ASP A 35 8.599 11.477 14.392 1.00 36.35 O ATOM 182 OD2 ASP A 35 7.784 13.436 14.920 1.00 40.02 O ATOM 183 H ASP A 35 10.977 13.449 13.159 1.00 0.00 H ATOM 184 N TRP A 36 10.156 13.457 9.837 1.00 19.82 N ATOM 185 CA TRP A 36 10.029 13.814 8.423 1.00 19.02 C ATOM 186 C TRP A 36 11.005 13.093 7.523 1.00 18.81 C ATOM 187 O TRP A 36 11.015 13.373 6.291 1.00 18.08 O ATOM 188 CB TRP A 36 10.186 15.318 8.234 1.00 17.54 C ATOM 189 CG TRP A 36 9.266 16.174 8.996 1.00 16.97 C ATOM 190 CD1 TRP A 36 8.150 15.808 9.551 1.00 19.19 C ATOM 191 CD2 TRP A 36 9.393 17.548 9.225 1.00 21.07 C ATOM 192 NE1 TRP A 36 7.504 16.844 10.106 1.00 22.05 N ATOM 193 CE2 TRP A 36 8.264 17.955 9.919 1.00 25.23 C ATOM 194 CE3 TRP A 36 10.347 18.481 8.899 1.00 19.39 C ATOM 195 CZ2 TRP A 36 8.086 19.265 10.366 1.00 30.44 C ATOM 196 CZ3 TRP A 36 10.168 19.782 9.310 1.00 25.20 C ATOM 197 CH2 TRP A 36 9.062 20.166 10.039 1.00 31.59 C ATOM 198 HE1 TRP A 36 6.586 16.804 10.592 1.00 0.00 H ATOM 199 H TRP A 36 10.922 13.887 10.393 1.00 0.00 H ATOM 200 N LEU A 37 11.689 12.066 8.022 1.00 20.67 N ATOM 201 CA LEU A 37 12.499 11.187 7.132 1.00 22.22 C ATOM 202 C LEU A 37 11.595 10.535 6.093 1.00 21.36 C ATOM 203 O LEU A 37 10.440 10.149 6.359 1.00 20.57 O ATOM 204 CB LEU A 37 13.236 10.095 7.916 1.00 24.95 C ATOM 205 CG LEU A 37 14.458 10.558 8.694 1.00 25.90 C ATOM 206 CD1 LEU A 37 14.941 9.493 9.701 1.00 30.61 C ATOM 207 CD2 LEU A 37 15.532 10.922 7.661 1.00 25.54 C ATOM 208 H LEU A 37 11.658 11.875 9.044 1.00 0.00 H ATOM 209 N LEU A 38 12.158 10.332 4.913 1.00 21.95 N ATOM 210 CA LEU A 38 11.430 9.783 3.767 1.00 23.87 C ATOM 211 C LEU A 38 12.217 8.645 3.119 1.00 24.29 C ATOM 212 O LEU A 38 13.331 8.878 2.590 1.00 26.41 O ATOM 213 CB LEU A 38 11.266 10.883 2.742 1.00 26.89 C ATOM 214 CG LEU A 38 10.631 10.469 1.403 1.00 28.37 C ATOM 215 CD1 LEU A 38 9.176 10.043 1.652 1.00 27.10 C ATOM 216 CD2 LEU A 38 10.752 11.675 0.458 1.00 29.27 C ATOM 217 H LEU A 38 13.163 10.573 4.794 1.00 0.00 H ATOM 218 N PRO A 39 11.683 7.425 3.187 1.00 27.71 N ATOM 219 CA PRO A 39 12.366 6.313 2.547 1.00 39.21 C ATOM 220 C PRO A 39 12.205 6.298 0.985 1.00 40.69 C ATOM 221 O PRO A 39 11.302 5.666 0.506 1.00 67.37 O ATOM 222 CB PRO A 39 11.748 5.077 3.229 1.00 44.06 C ATOM 223 CG PRO A 39 10.468 5.535 3.821 1.00 47.56 C ATOM 224 CD PRO A 39 10.608 6.994 4.112 1.00 37.78 C ATOM 225 N MET A 40 13.068 7.020 0.257 1.00 41.23 N ATOM 226 CA MET A 40 13.130 7.022 -1.237 1.00 41.85 C ATOM 227 C MET A 40 13.780 5.758 -1.775 1.00 46.94 C ATOM 228 O MET A 40 14.938 5.449 -1.430 1.00 38.44 O ATOM 229 CB MET A 40 13.962 8.221 -1.755 1.00 31.24 C ATOM 230 CG MET A 40 13.312 9.575 -1.630 1.00 44.30 C ATOM 231 SD MET A 40 11.832 9.747 -2.632 1.00 47.99 S ATOM 232 CE MET A 40 12.556 9.345 -4.244 1.00 32.02 C ATOM 233 H MET A 40 13.744 7.623 0.768 1.00 0.00 H ATOM 234 N GLY A 41 13.050 5.021 -2.623 1.00 43.63 N ATOM 235 CA GLY A 41 13.557 3.776 -3.182 1.00 46.29 C ATOM 236 C GLY A 41 13.823 2.737 -2.096 1.00 48.75 C ATOM 237 O GLY A 41 14.685 1.892 -2.260 1.00 46.27 O ATOM 238 H GLY A 41 12.098 5.346 -2.888 1.00 0.00 H ATOM 239 N GLY A 42 13.081 2.831 -0.985 1.00 54.51 N ATOM 240 CA GLY A 42 13.165 1.891 0.113 1.00 42.28 C ATOM 241 C GLY A 42 14.050 2.290 1.294 1.00 51.44 C ATOM 242 O GLY A 42 14.089 1.577 2.273 1.00 45.00 O ATOM 243 H GLY A 42 12.409 3.621 -0.907 1.00 0.00 H ATOM 244 N ASP A 43 14.769 3.403 1.231 1.00 42.99 N ATOM 245 CA ASP A 43 15.739 3.723 2.304 1.00 46.31 C ATOM 246 C ASP A 43 15.842 5.202 2.433 1.00 33.90 C ATOM 247 O ASP A 43 15.945 5.883 1.416 1.00 28.30 O ATOM 248 CB ASP A 43 17.118 3.190 1.880 1.00 47.06 C ATOM 249 CG ASP A 43 18.127 3.108 3.030 1.00 71.40 C ATOM 250 OD1 ASP A 43 18.051 3.854 4.063 1.00 44.84 O ATOM 251 OD2 ASP A 43 19.036 2.265 2.878 1.00 76.29 O ATOM 252 H ASP A 43 14.652 4.052 0.427 1.00 0.00 H ATOM 253 N HIS A 44 15.908 5.759 3.646 1.00 28.78 N ATOM 254 CA HIS A 44 16.066 7.182 3.727 1.00 26.12 C ATOM 255 C HIS A 44 17.499 7.600 3.447 1.00 27.73 C ATOM 256 O HIS A 44 17.733 8.751 3.184 1.00 25.67 O ATOM 257 CB HIS A 44 15.584 7.798 5.041 1.00 24.29 C ATOM 258 CG HIS A 44 16.352 7.308 6.248 1.00 31.29 C ATOM 259 ND1 HIS A 44 15.866 6.341 7.092 1.00 43.07 N ATOM 260 CD2 HIS A 44 17.565 7.657 6.747 1.00 32.37 C ATOM 261 CE1 HIS A 44 16.738 6.113 8.066 1.00 41.89 C ATOM 262 NE2 HIS A 44 17.772 6.920 7.892 1.00 32.80 N ATOM 263 H HIS A 44 15.847 5.177 4.506 1.00 0.00 H ATOM 264 N GLU A 45 18.443 6.691 3.556 1.00 24.96 N ATOM 265 CA GLU A 45 19.859 7.025 3.359 1.00 28.63 C ATOM 266 C GLU A 45 20.339 6.577 1.975 1.00 30.18 C ATOM 267 O GLU A 45 20.181 5.446 1.645 1.00 29.49 O ATOM 268 CB GLU A 45 20.705 6.339 4.408 1.00 27.14 C ATOM 269 CG GLU A 45 22.196 6.611 4.247 1.00 25.83 C ATOM 270 CD GLU A 45 22.922 5.998 5.402 1.00 35.02 C ATOM 271 OE1 GLU A 45 23.120 6.701 6.427 1.00 38.66 O ATOM 272 OE2 GLU A 45 23.182 4.784 5.345 1.00 36.06 O ATOM 273 H GLU A 45 18.180 5.712 3.787 1.00 0.00 H ATOM 274 N HIS A 46 20.954 7.492 1.225 1.00 26.44 N ATOM 275 CA HIS A 46 21.607 7.168 -0.074 1.00 25.29 C ATOM 276 C HIS A 46 23.068 7.657 -0.026 1.00 23.50 C ATOM 277 O HIS A 46 23.326 8.804 0.307 1.00 28.34 O ATOM 278 CB HIS A 46 20.836 7.833 -1.191 1.00 29.44 C ATOM 279 CG HIS A 46 19.431 7.311 -1.325 1.00 45.46 C ATOM 280 ND1 HIS A 46 19.013 6.552 -2.401 1.00 47.94 N ATOM 281 CD2 HIS A 46 18.361 7.396 -0.492 1.00 38.06 C ATOM 282 CE1 HIS A 46 17.748 6.195 -2.229 1.00 46.04 C ATOM 283 NE2 HIS A 46 17.332 6.681 -1.074 1.00 39.03 N ATOM 284 H HIS A 46 20.979 8.476 1.562 1.00 0.00 H ATOM 285 N VAL A 47 24.022 6.788 -0.313 1.00 22.54 N ATOM 286 CA VAL A 47 25.425 7.226 -0.360 1.00 22.98 C ATOM 287 C VAL A 47 25.852 7.416 -1.851 1.00 24.38 C ATOM 288 O VAL A 47 25.782 6.479 -2.586 1.00 23.82 O ATOM 289 CB VAL A 47 26.349 6.329 0.397 1.00 23.59 C ATOM 290 CG1 VAL A 47 27.772 6.879 0.357 1.00 31.08 C ATOM 291 CG2 VAL A 47 25.902 6.181 1.875 1.00 38.24 C ATOM 292 H VAL A 47 23.780 5.795 -0.505 1.00 0.00 H ATOM 293 N VAL A 48 26.223 8.665 -2.194 1.00 21.87 N ATOM 294 CA VAL A 48 26.277 9.146 -3.597 1.00 20.88 C ATOM 295 C VAL A 48 27.534 9.990 -3.829 1.00 24.82 C ATOM 296 O VAL A 48 28.143 10.459 -2.886 1.00 23.60 O ATOM 297 CB VAL A 48 25.029 9.976 -3.939 1.00 21.81 C ATOM 298 CG1 VAL A 48 23.757 9.119 -3.909 1.00 23.84 C ATOM 299 CG2 VAL A 48 24.850 11.159 -3.032 1.00 25.46 C ATOM 300 H VAL A 48 26.485 9.327 -1.436 1.00 0.00 H ATOM 301 N PHE A 49 27.933 10.158 -5.109 1.00 23.36 N ATOM 302 CA PHE A 49 29.046 10.998 -5.452 1.00 25.26 C ATOM 303 C PHE A 49 28.636 12.001 -6.482 1.00 26.54 C ATOM 304 O PHE A 49 27.933 11.669 -7.426 1.00 22.23 O ATOM 305 CB PHE A 49 30.195 10.230 -6.093 1.00 27.88 C ATOM 306 CG PHE A 49 30.815 9.179 -5.218 1.00 29.95 C ATOM 307 CD1 PHE A 49 30.239 7.921 -5.124 1.00 35.91 C ATOM 308 CD2 PHE A 49 31.971 9.434 -4.508 1.00 29.42 C ATOM 309 CE1 PHE A 49 30.787 6.950 -4.309 1.00 44.97 C ATOM 310 CE2 PHE A 49 32.521 8.474 -3.663 1.00 38.94 C ATOM 311 CZ PHE A 49 31.936 7.217 -3.588 1.00 37.10 C ATOM 312 H PHE A 49 27.419 9.665 -5.867 1.00 0.00 H ATOM 313 N ASN A 50 29.115 13.216 -6.304 1.00 28.64 N ATOM 314 CA ASN A 50 29.016 14.205 -7.368 1.00 24.32 C ATOM 315 C ASN A 50 30.130 14.138 -8.382 1.00 25.48 C ATOM 316 O ASN A 50 31.060 13.346 -8.282 1.00 23.75 O ATOM 317 CB ASN A 50 28.815 15.576 -6.745 1.00 22.89 C ATOM 318 CG ASN A 50 30.065 16.201 -6.180 1.00 24.05 C ATOM 319 OD1 ASN A 50 31.149 15.735 -6.337 1.00 25.22 O ATOM 320 ND2 ASN A 50 29.862 17.314 -5.477 1.00 25.31 N ATOM 321 HD22 ASN A 50 28.899 17.689 -5.363 1.00 0.00 H ATOM 322 HD21 ASN A 50 30.667 17.808 -5.042 1.00 0.00 H ATOM 323 H ASN A 50 29.565 13.469 -5.401 1.00 0.00 H ATOM 324 N PRO A 51 30.010 14.929 -9.450 1.00 29.26 N ATOM 325 CA PRO A 51 31.013 14.792 -10.481 1.00 28.43 C ATOM 326 C PRO A 51 32.419 15.229 -10.077 1.00 25.54 C ATOM 327 O PRO A 51 33.347 14.911 -10.781 1.00 29.53 O ATOM 328 CB PRO A 51 30.481 15.676 -11.635 1.00 40.98 C ATOM 329 CG PRO A 51 28.984 15.769 -11.400 1.00 33.96 C ATOM 330 CD PRO A 51 28.795 15.664 -9.910 1.00 32.52 C ATOM 331 N ALA A 52 32.512 16.052 -9.051 1.00 24.52 N ATOM 332 CA ALA A 52 33.781 16.475 -8.466 1.00 33.63 C ATOM 333 C ALA A 52 34.331 15.420 -7.451 1.00 30.89 C ATOM 334 O ALA A 52 35.382 15.647 -6.832 1.00 25.82 O ATOM 335 CB ALA A 52 33.596 17.806 -7.750 1.00 30.72 C ATOM 336 H ALA A 52 31.633 16.420 -8.635 1.00 0.00 H ATOM 337 N GLY A 53 33.610 14.293 -7.337 1.00 25.22 N ATOM 338 CA GLY A 53 34.066 13.081 -6.679 1.00 26.29 C ATOM 339 C GLY A 53 33.855 13.154 -5.199 1.00 24.73 C ATOM 340 O GLY A 53 34.301 12.284 -4.483 1.00 26.27 O ATOM 341 H GLY A 53 32.656 14.287 -7.750 1.00 0.00 H ATOM 342 N MET A 54 33.163 14.164 -4.730 1.00 22.78 N ATOM 343 CA MET A 54 32.819 14.234 -3.352 1.00 27.25 C ATOM 344 C MET A 54 31.726 13.224 -2.988 1.00 34.24 C ATOM 345 O MET A 54 30.719 13.077 -3.688 1.00 24.68 O ATOM 346 CB MET A 54 32.359 15.618 -2.995 1.00 25.40 C ATOM 347 CG MET A 54 33.318 16.719 -3.360 1.00 40.51 C ATOM 348 SD MET A 54 32.616 18.285 -2.819 1.00 51.79 S ATOM 349 CE MET A 54 32.085 19.042 -4.359 1.00 37.13 C ATOM 350 H MET A 54 32.862 14.923 -5.374 1.00 0.00 H ATOM 351 N ILE A 55 31.929 12.529 -1.871 1.00 25.62 N ATOM 352 CA ILE A 55 30.961 11.515 -1.471 1.00 26.49 C ATOM 353 C ILE A 55 30.051 12.146 -0.463 1.00 22.47 C ATOM 354 O ILE A 55 30.488 12.955 0.386 1.00 24.37 O ATOM 355 CB ILE A 55 31.667 10.277 -0.850 1.00 30.08 C ATOM 356 CG1 ILE A 55 30.659 9.113 -0.693 1.00 36.06 C ATOM 357 CG2 ILE A 55 32.295 10.626 0.489 1.00 37.82 C ATOM 358 CD1 ILE A 55 31.279 7.757 -0.409 1.00 42.67 C ATOM 359 H ILE A 55 32.772 12.708 -1.288 1.00 0.00 H ATOM 360 N PHE A 56 28.778 11.803 -0.501 1.00 22.94 N ATOM 361 CA PHE A 56 27.825 12.329 0.453 1.00 22.27 C ATOM 362 C PHE A 56 26.952 11.236 1.027 1.00 26.16 C ATOM 363 O PHE A 56 26.435 10.388 0.325 1.00 20.78 O ATOM 364 CB PHE A 56 26.904 13.350 -0.230 1.00 23.88 C ATOM 365 CG PHE A 56 27.621 14.557 -0.774 1.00 26.81 C ATOM 366 CD1 PHE A 56 27.957 15.601 0.044 1.00 21.95 C ATOM 367 CD2 PHE A 56 27.935 14.637 -2.119 1.00 24.83 C ATOM 368 CE1 PHE A 56 28.624 16.734 -0.460 1.00 26.16 C ATOM 369 CE2 PHE A 56 28.569 15.766 -2.627 1.00 24.02 C ATOM 370 CZ PHE A 56 28.895 16.804 -1.802 1.00 25.13 C ATOM 371 H PHE A 56 28.452 11.140 -1.233 1.00 0.00 H ATOM 372 N ARG A 57 26.753 11.269 2.334 1.00 21.01 N ATOM 373 CA ARG A 57 25.699 10.452 2.921 1.00 21.82 C ATOM 374 C ARG A 57 24.472 11.273 3.036 1.00 19.09 C ATOM 375 O ARG A 57 24.363 12.217 3.881 1.00 21.22 O ATOM 376 CB ARG A 57 26.189 9.874 4.258 1.00 31.84 C ATOM 377 CG ARG A 57 25.189 8.904 4.910 1.00 29.44 C ATOM 378 CD ARG A 57 25.521 8.633 6.405 1.00 40.11 C ATOM 379 NE ARG A 57 26.826 7.982 6.554 1.00 30.15 N ATOM 380 CZ ARG A 57 27.007 6.735 6.969 1.00 60.29 C ATOM 381 NH1 ARG A 57 25.975 5.947 7.280 1.00 69.82 N ATOM 382 NH2 ARG A 57 28.242 6.287 7.114 1.00 72.20 N ATOM 383 HE ARG A 57 27.672 8.539 6.317 1.00 0.00 H ATOM 384 HH12 ARG A 57 26.143 4.973 7.603 1.00 0.00 H ATOM 385 HH11 ARG A 57 25.003 6.307 7.199 1.00 0.00 H ATOM 386 HH22 ARG A 57 28.407 5.313 7.438 1.00 0.00 H ATOM 387 HH21 ARG A 57 29.049 6.909 6.904 1.00 0.00 H ATOM 388 H ARG A 57 27.345 11.874 2.939 1.00 0.00 H ATOM 389 N VAL A 58 23.556 11.065 2.070 1.00 19.50 N ATOM 390 CA VAL A 58 22.396 11.868 1.959 1.00 19.89 C ATOM 391 C VAL A 58 21.252 11.160 2.664 1.00 23.01 C ATOM 392 O VAL A 58 21.002 9.955 2.459 1.00 20.87 O ATOM 393 CB VAL A 58 22.029 12.071 0.497 1.00 19.30 C ATOM 394 CG1 VAL A 58 20.724 12.774 0.394 1.00 19.10 C ATOM 395 CG2 VAL A 58 23.145 12.863 -0.187 1.00 22.67 C ATOM 396 H VAL A 58 23.705 10.294 1.388 1.00 0.00 H ATOM 397 N TRP A 59 20.605 11.905 3.527 1.00 18.97 N ATOM 398 CA TRP A 59 19.332 11.486 4.153 1.00 17.51 C ATOM 399 C TRP A 59 18.183 12.248 3.525 1.00 14.24 C ATOM 400 O TRP A 59 18.209 13.510 3.404 1.00 19.55 O ATOM 401 CB TRP A 59 19.363 11.678 5.690 1.00 16.52 C ATOM 402 CG TRP A 59 20.088 10.638 6.400 1.00 21.87 C ATOM 403 CD1 TRP A 59 21.037 9.828 5.883 1.00 28.78 C ATOM 404 CD2 TRP A 59 19.920 10.232 7.759 1.00 24.57 C ATOM 405 NE1 TRP A 59 21.492 8.978 6.839 1.00 27.17 N ATOM 406 CE2 TRP A 59 20.816 9.199 7.998 1.00 26.69 C ATOM 407 CE3 TRP A 59 19.108 10.665 8.811 1.00 26.24 C ATOM 408 CZ2 TRP A 59 20.904 8.535 9.230 1.00 28.73 C ATOM 409 CZ3 TRP A 59 19.183 10.017 10.021 1.00 26.98 C ATOM 410 CH2 TRP A 59 20.077 8.932 10.212 1.00 29.75 C ATOM 411 HE1 TRP A 59 22.241 8.269 6.706 1.00 0.00 H ATOM 412 H TRP A 59 21.004 12.831 3.783 1.00 0.00 H ATOM 413 N CYS A 60 17.164 11.517 3.117 1.00 18.11 N ATOM 414 CA CYS A 60 15.999 12.095 2.490 1.00 18.39 C ATOM 415 C CYS A 60 14.928 12.457 3.513 1.00 20.76 C ATOM 416 O CYS A 60 14.602 11.642 4.371 1.00 19.01 O ATOM 417 CB CYS A 60 15.418 11.174 1.513 1.00 16.52 C ATOM 418 SG CYS A 60 16.556 10.719 0.136 1.00 25.17 S ATOM 419 H CYS A 60 17.201 10.486 3.252 1.00 0.00 H ATOM 420 N PHE A 61 14.432 13.679 3.401 1.00 19.30 N ATOM 421 CA PHE A 61 13.361 14.190 4.222 1.00 17.97 C ATOM 422 C PHE A 61 12.233 14.692 3.346 1.00 18.88 C ATOM 423 O PHE A 61 12.482 15.297 2.317 1.00 20.07 O ATOM 424 CB PHE A 61 13.873 15.319 5.051 1.00 18.08 C ATOM 425 CG PHE A 61 14.866 14.911 6.110 1.00 17.23 C ATOM 426 CD1 PHE A 61 16.250 14.823 5.793 1.00 16.43 C ATOM 427 CD2 PHE A 61 14.472 14.632 7.346 1.00 17.15 C ATOM 428 CE1 PHE A 61 17.202 14.570 6.779 1.00 21.57 C ATOM 429 CE2 PHE A 61 15.414 14.408 8.340 1.00 17.19 C ATOM 430 CZ PHE A 61 16.754 14.302 8.035 1.00 18.51 C ATOM 431 H PHE A 61 14.838 14.308 2.679 1.00 0.00 H ATOM 432 N SER A 62 10.998 14.547 3.813 1.00 16.74 N ATOM 433 CA SER A 62 9.854 15.021 3.050 1.00 19.96 C ATOM 434 C SER A 62 9.762 16.529 3.123 1.00 22.46 C ATOM 435 O SER A 62 9.185 17.147 2.237 1.00 20.12 O ATOM 436 CB SER A 62 8.555 14.345 3.507 1.00 21.57 C ATOM 437 OG SER A 62 8.568 12.962 3.213 1.00 21.01 O ATOM 438 HG SER A 62 8.665 12.834 2.236 1.00 0.00 H ATOM 439 H SER A 62 10.847 14.089 4.735 1.00 0.00 H ATOM 440 N LEU A 63 10.292 17.104 4.208 1.00 22.44 N ATOM 441 CA LEU A 63 10.138 18.473 4.526 1.00 17.87 C ATOM 442 C LEU A 63 11.395 18.979 5.263 1.00 19.52 C ATOM 443 O LEU A 63 12.045 18.221 5.964 1.00 20.05 O ATOM 444 CB LEU A 63 8.928 18.587 5.405 1.00 19.99 C ATOM 445 CG LEU A 63 8.424 19.939 5.914 1.00 20.90 C ATOM 446 CD1 LEU A 63 8.221 20.921 4.773 1.00 25.39 C ATOM 447 CD2 LEU A 63 7.175 19.817 6.770 1.00 25.35 C ATOM 448 H LEU A 63 10.849 16.510 4.855 1.00 0.00 H ATOM 449 N ALA A 64 11.709 20.263 5.086 1.00 21.26 N ATOM 450 CA ALA A 64 12.772 20.966 5.811 1.00 19.23 C ATOM 451 C ALA A 64 12.426 22.437 5.774 1.00 21.34 C ATOM 452 O ALA A 64 11.557 22.884 5.033 1.00 21.56 O ATOM 453 CB ALA A 64 14.124 20.765 5.187 1.00 20.83 C ATOM 454 H ALA A 64 11.162 20.803 4.385 1.00 0.00 H ATOM 455 N GLN A 65 13.068 23.148 6.657 1.00 20.31 N ATOM 456 CA GLN A 65 12.886 24.554 6.852 1.00 20.91 C ATOM 457 C GLN A 65 14.257 25.164 7.126 1.00 19.19 C ATOM 458 O GLN A 65 15.235 24.449 7.384 1.00 21.15 O ATOM 459 CB GLN A 65 11.913 24.831 8.038 1.00 25.18 C ATOM 460 CG GLN A 65 12.444 24.327 9.373 1.00 30.03 C ATOM 461 CD GLN A 65 11.565 24.476 10.615 1.00 45.39 C ATOM 462 OE1 GLN A 65 11.213 23.493 11.293 1.00 49.79 O ATOM 463 NE2 GLN A 65 11.256 25.710 10.953 1.00 49.25 N ATOM 464 HE22 GLN A 65 11.569 26.505 10.360 1.00 0.00 H ATOM 465 HE21 GLN A 65 10.699 25.890 11.813 1.00 0.00 H ATOM 466 H GLN A 65 13.760 22.661 7.261 1.00 0.00 H ATOM 467 N GLY A 66 14.307 26.496 7.120 1.00 22.10 N ATOM 468 CA GLY A 66 15.478 27.226 7.554 1.00 19.44 C ATOM 469 C GLY A 66 16.588 27.209 6.516 1.00 19.94 C ATOM 470 O GLY A 66 17.675 27.657 6.784 1.00 22.17 O ATOM 471 H GLY A 66 13.476 27.028 6.792 1.00 0.00 H ATOM 472 N LEU A 67 16.285 26.763 5.326 1.00 20.43 N ATOM 473 CA LEU A 67 17.278 26.755 4.243 1.00 18.21 C ATOM 474 C LEU A 67 17.128 27.902 3.326 1.00 23.58 C ATOM 475 O LEU A 67 16.190 28.665 3.416 1.00 23.84 O ATOM 476 CB LEU A 67 17.105 25.472 3.454 1.00 18.85 C ATOM 477 CG LEU A 67 17.318 24.141 4.237 1.00 15.65 C ATOM 478 CD1 LEU A 67 16.680 22.929 3.574 1.00 19.98 C ATOM 479 CD2 LEU A 67 18.764 23.925 4.511 1.00 18.65 C ATOM 480 H LEU A 67 15.325 26.408 5.142 1.00 0.00 H ATOM 481 N ARG A 68 18.045 28.017 2.382 1.00 19.23 N ATOM 482 CA ARG A 68 17.867 28.979 1.343 1.00 18.51 C ATOM 483 C ARG A 68 18.270 28.248 0.086 1.00 23.41 C ATOM 484 O ARG A 68 19.391 27.733 -0.024 1.00 20.30 O ATOM 485 CB ARG A 68 18.786 30.175 1.583 1.00 26.65 C ATOM 486 CG ARG A 68 18.753 31.161 0.439 1.00 35.84 C ATOM 487 CD ARG A 68 19.416 32.513 0.744 1.00 46.96 C ATOM 488 NE ARG A 68 20.825 32.400 1.168 1.00 44.12 N ATOM 489 CZ ARG A 68 21.918 32.606 0.415 1.00 63.56 C ATOM 490 NH1 ARG A 68 23.133 32.465 0.970 1.00 45.90 N ATOM 491 NH2 ARG A 68 21.831 32.959 -0.865 1.00 60.20 N ATOM 492 HE ARG A 68 20.990 32.131 2.159 1.00 0.00 H ATOM 493 HH12 ARG A 68 23.987 32.622 0.398 1.00 0.00 H ATOM 494 HH11 ARG A 68 23.219 32.199 1.972 1.00 0.00 H ATOM 495 HH22 ARG A 68 22.696 33.111 -1.422 1.00 0.00 H ATOM 496 HH21 ARG A 68 20.898 33.083 -1.308 1.00 0.00 H ATOM 497 H ARG A 68 18.890 27.411 2.396 1.00 0.00 H ATOM 498 N LEU A 69 17.356 28.212 -0.885 1.00 22.10 N ATOM 499 CA LEU A 69 17.600 27.471 -2.103 1.00 23.01 C ATOM 500 C LEU A 69 18.226 28.372 -3.144 1.00 26.32 C ATOM 501 O LEU A 69 17.722 29.442 -3.393 1.00 30.33 O ATOM 502 CB LEU A 69 16.288 26.881 -2.624 1.00 29.95 C ATOM 503 CG LEU A 69 15.536 26.018 -1.620 1.00 29.93 C ATOM 504 CD1 LEU A 69 14.349 25.442 -2.360 1.00 44.38 C ATOM 505 CD2 LEU A 69 16.365 24.915 -0.978 1.00 26.27 C ATOM 506 H LEU A 69 16.458 28.722 -0.765 1.00 0.00 H ATOM 507 N ILE A 70 19.321 27.946 -3.772 1.00 28.10 N ATOM 508 CA ILE A 70 20.102 28.878 -4.571 1.00 26.23 C ATOM 509 C ILE A 70 19.893 28.534 -6.026 1.00 35.52 C ATOM 510 O ILE A 70 20.001 27.374 -6.371 1.00 29.82 O ATOM 511 CB ILE A 70 21.622 28.644 -4.346 1.00 37.77 C ATOM 512 CG1 ILE A 70 21.974 28.902 -2.905 1.00 43.68 C ATOM 513 CG2 ILE A 70 22.436 29.537 -5.254 1.00 62.68 C ATOM 514 CD1 ILE A 70 21.271 30.126 -2.408 1.00 47.47 C ATOM 515 H ILE A 70 19.616 26.952 -3.692 1.00 0.00 H ATOM 516 N GLY A 71 19.663 29.543 -6.855 1.00 34.55 N ATOM 517 CA GLY A 71 19.679 29.343 -8.305 1.00 48.98 C ATOM 518 C GLY A 71 18.489 28.577 -8.806 1.00 32.25 C ATOM 519 O GLY A 71 17.427 28.497 -8.145 1.00 43.76 O ATOM 520 H GLY A 71 19.469 30.489 -6.470 1.00 0.00 H ATOM 521 N ALA A 72 18.651 28.035 -10.007 1.00 49.01 N ATOM 522 CA ALA A 72 17.568 27.411 -10.700 1.00 56.51 C ATOM 523 C ALA A 72 17.785 25.878 -10.758 1.00 34.53 C ATOM 524 O ALA A 72 18.916 25.375 -10.790 1.00 36.93 O ATOM 525 CB ALA A 72 17.392 28.015 -12.100 1.00 62.94 C ATOM 526 H ALA A 72 19.589 28.065 -10.455 1.00 0.00 H ATOM 527 N PRO A 73 16.689 25.136 -10.744 1.00 29.52 N ATOM 528 CA PRO A 73 16.778 23.667 -10.789 1.00 28.01 C ATOM 529 C PRO A 73 17.487 23.069 -12.028 1.00 28.92 C ATOM 530 O PRO A 73 17.348 23.596 -13.114 1.00 32.66 O ATOM 531 CB PRO A 73 15.316 23.239 -10.760 1.00 34.65 C ATOM 532 CG PRO A 73 14.585 24.411 -10.127 1.00 31.93 C ATOM 533 CD PRO A 73 15.284 25.601 -10.665 1.00 36.18 C ATOM 534 N SER A 74 18.217 21.966 -11.807 1.00 27.07 N ATOM 535 CA SER A 74 18.886 21.226 -12.830 1.00 27.80 C ATOM 536 C SER A 74 18.573 19.743 -12.723 1.00 22.54 C ATOM 537 O SER A 74 18.606 19.198 -11.651 1.00 22.33 O ATOM 538 CB SER A 74 20.402 21.387 -12.676 1.00 26.58 C ATOM 539 OG SER A 74 20.998 20.827 -13.828 1.00 28.69 O ATOM 540 HG SER A 74 21.982 20.913 -13.764 1.00 0.00 H ATOM 541 H SER A 74 18.302 21.627 -10.827 1.00 0.00 H ATOM 542 N GLY A 75 18.381 19.114 -13.845 1.00 21.40 N ATOM 543 CA GLY A 75 18.294 17.659 -13.976 1.00 24.66 C ATOM 544 C GLY A 75 19.643 16.971 -14.066 1.00 27.32 C ATOM 545 O GLY A 75 19.747 15.756 -13.875 1.00 25.54 O ATOM 546 H GLY A 75 18.282 19.684 -14.709 1.00 0.00 H ATOM 547 N GLU A 76 20.689 17.735 -14.356 1.00 32.15 N ATOM 548 CA GLU A 76 21.988 17.147 -14.723 1.00 32.17 C ATOM 549 C GLU A 76 22.579 16.422 -13.501 1.00 27.44 C ATOM 550 O GLU A 76 22.566 16.948 -12.388 1.00 22.60 O ATOM 551 CB GLU A 76 22.912 18.242 -15.260 1.00 33.99 C ATOM 552 CG GLU A 76 22.454 18.742 -16.623 1.00 66.42 C ATOM 553 CD GLU A 76 23.391 19.739 -17.263 1.00 75.26 C ATOM 554 OE1 GLU A 76 24.497 19.974 -16.734 1.00 85.71 O ATOM 555 OE2 GLU A 76 23.007 20.285 -18.313 1.00 66.03 O ATOM 556 H GLU A 76 20.589 18.770 -14.323 1.00 0.00 H ATOM 557 N PHE A 77 23.007 15.182 -13.725 1.00 24.43 N ATOM 558 CA PHE A 77 23.648 14.359 -12.686 1.00 30.26 C ATOM 559 C PHE A 77 22.760 14.099 -11.456 1.00 25.67 C ATOM 560 O PHE A 77 23.293 13.828 -10.387 1.00 23.50 O ATOM 561 CB PHE A 77 24.995 14.990 -12.212 1.00 29.64 C ATOM 562 CG PHE A 77 25.909 15.423 -13.337 1.00 36.05 C ATOM 563 CD1 PHE A 77 26.497 14.495 -14.157 1.00 40.43 C ATOM 564 CD2 PHE A 77 26.145 16.784 -13.576 1.00 42.18 C ATOM 565 CE1 PHE A 77 27.344 14.888 -15.180 1.00 48.71 C ATOM 566 CE2 PHE A 77 26.964 17.186 -14.606 1.00 44.40 C ATOM 567 CZ PHE A 77 27.565 16.234 -15.415 1.00 45.78 C ATOM 568 H PHE A 77 22.883 14.777 -14.675 1.00 0.00 H ATOM 569 N SER A 78 21.448 14.175 -11.599 1.00 22.06 N ATOM 570 CA SER A 78 20.555 13.985 -10.427 1.00 21.66 C ATOM 571 C SER A 78 20.699 12.544 -9.932 1.00 21.97 C ATOM 572 O SER A 78 20.703 11.627 -10.704 1.00 23.19 O ATOM 573 CB SER A 78 19.081 14.231 -10.764 1.00 22.02 C ATOM 574 OG SER A 78 18.319 13.907 -9.603 1.00 23.03 O ATOM 575 HG SER A 78 17.358 14.056 -9.788 1.00 0.00 H ATOM 576 H SER A 78 21.039 14.369 -12.536 1.00 0.00 H ATOM 577 N TRP A 79 20.872 12.379 -8.633 1.00 20.14 N ATOM 578 CA TRP A 79 20.916 11.064 -8.029 1.00 19.52 C ATOM 579 C TRP A 79 19.536 10.451 -7.930 1.00 21.23 C ATOM 580 O TRP A 79 19.450 9.275 -7.661 1.00 24.83 O ATOM 581 CB TRP A 79 21.467 11.168 -6.584 1.00 20.57 C ATOM 582 CG TRP A 79 22.819 11.643 -6.578 1.00 20.78 C ATOM 583 CD1 TRP A 79 23.863 11.201 -7.400 1.00 24.63 C ATOM 584 CD2 TRP A 79 23.368 12.696 -5.770 1.00 19.20 C ATOM 585 NE1 TRP A 79 25.007 11.930 -7.126 1.00 26.63 N ATOM 586 CE2 TRP A 79 24.754 12.773 -6.069 1.00 21.05 C ATOM 587 CE3 TRP A 79 22.861 13.516 -4.765 1.00 21.87 C ATOM 588 CZ2 TRP A 79 25.564 13.750 -5.516 1.00 22.28 C ATOM 589 CZ3 TRP A 79 23.693 14.408 -4.166 1.00 22.51 C ATOM 590 CH2 TRP A 79 25.037 14.505 -4.528 1.00 23.27 C ATOM 591 HE1 TRP A 79 25.910 11.853 -7.636 1.00 0.00 H ATOM 592 H TRP A 79 20.980 13.217 -8.027 1.00 0.00 H ATOM 593 N PHE A 80 18.448 11.190 -8.162 1.00 20.24 N ATOM 594 CA PHE A 80 17.115 10.627 -8.037 1.00 22.69 C ATOM 595 C PHE A 80 16.348 10.755 -9.302 1.00 23.66 C ATOM 596 O PHE A 80 16.204 11.858 -9.822 1.00 21.38 O ATOM 597 CB PHE A 80 16.401 11.300 -6.906 1.00 20.53 C ATOM 598 CG PHE A 80 17.067 11.071 -5.594 1.00 21.48 C ATOM 599 CD1 PHE A 80 16.797 9.913 -4.881 1.00 26.87 C ATOM 600 CD2 PHE A 80 17.991 11.994 -5.072 1.00 21.24 C ATOM 601 CE1 PHE A 80 17.433 9.690 -3.670 1.00 28.65 C ATOM 602 CE2 PHE A 80 18.554 11.802 -3.820 1.00 20.82 C ATOM 603 CZ PHE A 80 18.296 10.629 -3.152 1.00 25.95 C ATOM 604 H PHE A 80 18.557 12.187 -8.437 1.00 0.00 H ATOM 605 N LYS A 81 15.919 9.620 -9.832 1.00 23.13 N ATOM 606 CA LYS A 81 15.336 9.623 -11.182 1.00 27.80 C ATOM 607 C LYS A 81 14.071 10.461 -11.292 1.00 27.52 C ATOM 608 O LYS A 81 13.152 10.351 -10.480 1.00 24.81 O ATOM 609 CB LYS A 81 15.066 8.200 -11.654 1.00 34.69 C ATOM 610 CG LYS A 81 14.345 8.171 -12.992 1.00 35.65 C ATOM 611 CD LYS A 81 14.167 6.748 -13.523 1.00 43.62 C ATOM 612 H LYS A 81 15.994 8.732 -9.297 1.00 0.00 H ATOM 613 N GLY A 82 13.984 11.289 -12.324 1.00 29.52 N ATOM 614 CA GLY A 82 12.821 12.163 -12.499 1.00 31.03 C ATOM 615 C GLY A 82 12.871 13.483 -11.746 1.00 25.14 C ATOM 616 O GLY A 82 11.957 14.305 -11.861 1.00 22.11 O ATOM 617 H GLY A 82 14.755 11.319 -13.022 1.00 0.00 H ATOM 618 N TYR A 83 13.879 13.695 -10.915 1.00 20.60 N ATOM 619 CA TYR A 83 13.922 14.899 -10.112 1.00 21.55 C ATOM 620 C TYR A 83 15.000 15.855 -10.596 1.00 20.62 C ATOM 621 O TYR A 83 16.095 15.423 -10.942 1.00 22.87 O ATOM 622 CB TYR A 83 14.173 14.616 -8.632 1.00 18.94 C ATOM 623 CG TYR A 83 13.098 13.875 -7.985 1.00 18.59 C ATOM 624 CD1 TYR A 83 12.030 14.533 -7.405 1.00 20.92 C ATOM 625 CD2 TYR A 83 13.135 12.497 -7.918 1.00 18.70 C ATOM 626 CE1 TYR A 83 10.973 13.840 -6.786 1.00 19.84 C ATOM 627 CE2 TYR A 83 12.071 11.812 -7.375 1.00 20.47 C ATOM 628 CZ TYR A 83 11.020 12.481 -6.776 1.00 21.82 C ATOM 629 OH TYR A 83 10.030 11.749 -6.193 1.00 21.85 O ATOM 630 HH TYR A 83 9.352 12.360 -5.809 1.00 0.00 H ATOM 631 H TYR A 83 14.643 12.994 -10.838 1.00 0.00 H ATOM 632 N ASP A 84 14.670 17.157 -10.518 1.00 19.95 N ATOM 633 CA ASP A 84 15.619 18.255 -10.681 1.00 23.55 C ATOM 634 C ASP A 84 16.028 18.814 -9.334 1.00 21.69 C ATOM 635 O ASP A 84 15.217 18.878 -8.396 1.00 22.58 O ATOM 636 CB ASP A 84 14.971 19.331 -11.528 1.00 23.91 C ATOM 637 CG ASP A 84 14.339 18.744 -12.767 1.00 31.89 C ATOM 638 OD1 ASP A 84 15.060 18.060 -13.527 1.00 25.09 O ATOM 639 OD2 ASP A 84 13.105 18.905 -12.961 1.00 33.84 O ATOM 640 H ASP A 84 13.676 17.397 -10.330 1.00 0.00 H ATOM 641 N TRP A 85 17.288 19.238 -9.228 1.00 21.63 N ATOM 642 CA TRP A 85 17.772 19.697 -7.926 1.00 19.24 C ATOM 643 C TRP A 85 18.209 21.128 -7.885 1.00 21.11 C ATOM 644 O TRP A 85 18.685 21.714 -8.878 1.00 21.63 O ATOM 645 CB TRP A 85 18.882 18.763 -7.440 1.00 22.48 C ATOM 646 CG TRP A 85 20.022 18.542 -8.410 1.00 19.32 C ATOM 647 CD1 TRP A 85 20.144 17.563 -9.340 1.00 22.57 C ATOM 648 CD2 TRP A 85 21.159 19.371 -8.555 1.00 23.48 C ATOM 649 NE1 TRP A 85 21.279 17.731 -10.059 1.00 27.70 N ATOM 650 CE2 TRP A 85 21.924 18.843 -9.616 1.00 26.59 C ATOM 651 CE3 TRP A 85 21.596 20.531 -7.924 1.00 25.82 C ATOM 652 CZ2 TRP A 85 23.131 19.422 -10.042 1.00 31.96 C ATOM 653 CZ3 TRP A 85 22.781 21.130 -8.358 1.00 28.99 C ATOM 654 CH2 TRP A 85 23.562 20.557 -9.390 1.00 31.72 C ATOM 655 HE1 TRP A 85 21.605 17.110 -10.827 1.00 0.00 H ATOM 656 H TRP A 85 17.916 19.242 -10.057 1.00 0.00 H ATOM 657 N THR A 86 18.165 21.675 -6.681 1.00 18.88 N ATOM 658 CA THR A 86 18.746 22.983 -6.420 1.00 18.60 C ATOM 659 C THR A 86 19.544 22.853 -5.148 1.00 26.88 C ATOM 660 O THR A 86 19.150 22.086 -4.230 1.00 19.95 O ATOM 661 CB THR A 86 17.725 24.112 -6.238 1.00 24.88 C ATOM 662 OG1 THR A 86 16.955 23.880 -5.070 1.00 36.84 O ATOM 663 CG2 THR A 86 16.867 24.224 -7.422 1.00 31.10 C ATOM 664 HG1 THR A 86 17.554 23.849 -4.282 1.00 0.00 H ATOM 665 H THR A 86 17.705 21.159 -5.904 1.00 0.00 H ATOM 666 N ILE A 87 20.678 23.538 -5.119 1.00 20.92 N ATOM 667 CA ILE A 87 21.508 23.582 -3.867 1.00 19.62 C ATOM 668 C ILE A 87 20.717 24.215 -2.781 1.00 17.86 C ATOM 669 O ILE A 87 20.077 25.248 -2.955 1.00 22.09 O ATOM 670 CB ILE A 87 22.836 24.323 -4.117 1.00 23.62 C ATOM 671 CG1 ILE A 87 23.750 23.414 -4.987 1.00 27.19 C ATOM 672 CG2 ILE A 87 23.534 24.640 -2.816 1.00 24.81 C ATOM 673 CD1 ILE A 87 24.907 24.172 -5.618 1.00 34.31 C ATOM 674 H ILE A 87 20.995 24.048 -5.968 1.00 0.00 H ATOM 675 N ALA A 88 20.833 23.633 -1.572 1.00 18.35 N ATOM 676 CA ALA A 88 20.198 24.146 -0.410 1.00 17.65 C ATOM 677 C ALA A 88 21.267 24.542 0.601 1.00 18.21 C ATOM 678 O ALA A 88 22.026 23.690 1.093 1.00 18.36 O ATOM 679 CB ALA A 88 19.341 23.067 0.219 1.00 18.51 C ATOM 680 H ALA A 88 21.411 22.773 -1.486 1.00 0.00 H ATOM 681 N LEU A 89 21.292 25.813 0.939 1.00 18.99 N ATOM 682 CA LEU A 89 22.172 26.265 1.997 1.00 17.82 C ATOM 683 C LEU A 89 21.413 26.473 3.293 1.00 16.78 C ATOM 684 O LEU A 89 20.248 26.703 3.284 1.00 21.05 O ATOM 685 CB LEU A 89 22.826 27.570 1.545 1.00 20.26 C ATOM 686 CG LEU A 89 23.548 27.660 0.204 1.00 18.17 C ATOM 687 CD1 LEU A 89 24.238 28.985 0.054 1.00 28.64 C ATOM 688 CD2 LEU A 89 24.608 26.567 0.191 1.00 19.69 C ATOM 689 H LEU A 89 20.679 26.494 0.446 1.00 0.00 H ATOM 690 N CYS A 90 22.110 26.433 4.402 1.00 19.56 N ATOM 691 CA CYS A 90 21.581 26.971 5.633 1.00 15.89 C ATOM 692 C CYS A 90 21.240 28.446 5.401 1.00 15.26 C ATOM 693 O CYS A 90 22.057 29.209 5.003 1.00 18.08 O ATOM 694 CB CYS A 90 22.595 26.824 6.778 1.00 17.12 C ATOM 695 SG CYS A 90 22.038 27.494 8.357 1.00 20.79 S ATOM 696 H CYS A 90 23.059 26.007 4.395 1.00 0.00 H ATOM 697 N GLY A 91 19.987 28.819 5.672 1.00 17.39 N ATOM 698 CA GLY A 91 19.514 30.169 5.500 1.00 20.43 C ATOM 699 C GLY A 91 20.147 31.108 6.486 1.00 24.48 C ATOM 700 O GLY A 91 20.174 32.303 6.282 1.00 20.66 O ATOM 701 H GLY A 91 19.321 28.102 6.024 1.00 0.00 H ATOM 702 N GLN A 92 20.668 30.583 7.584 1.00 17.66 N ATOM 703 CA GLN A 92 21.324 31.400 8.565 1.00 21.34 C ATOM 704 C GLN A 92 22.841 31.636 8.318 1.00 20.13 C ATOM 705 O GLN A 92 23.255 32.795 8.246 1.00 20.64 O ATOM 706 CB GLN A 92 21.076 30.802 9.963 1.00 20.56 C ATOM 707 CG GLN A 92 21.613 31.572 11.101 1.00 19.78 C ATOM 708 CD GLN A 92 20.906 31.198 12.416 1.00 21.38 C ATOM 709 OE1 GLN A 92 19.971 31.874 12.841 1.00 23.38 O ATOM 710 NE2 GLN A 92 21.451 30.180 13.105 1.00 19.05 N ATOM 711 HE22 GLN A 92 22.241 29.641 12.698 1.00 0.00 H ATOM 712 HE21 GLN A 92 21.082 29.932 14.045 1.00 0.00 H ATOM 713 H GLN A 92 20.601 29.557 7.739 1.00 0.00 H ATOM 714 N CYS A 93 23.666 30.593 8.201 1.00 20.35 N ATOM 715 CA CYS A 93 25.091 30.711 8.043 1.00 24.02 C ATOM 716 C CYS A 93 25.661 30.440 6.675 1.00 24.98 C ATOM 717 O CYS A 93 26.833 30.649 6.460 1.00 23.39 O ATOM 718 CB CYS A 93 25.823 29.790 8.964 1.00 20.30 C ATOM 719 SG CYS A 93 25.793 28.048 8.593 1.00 20.57 S ATOM 720 H CYS A 93 23.254 29.638 8.226 1.00 0.00 H ATOM 721 N GLY A 94 24.868 29.915 5.788 1.00 21.55 N ATOM 722 CA GLY A 94 25.339 29.717 4.394 1.00 20.52 C ATOM 723 C GLY A 94 25.961 28.359 4.155 1.00 21.36 C ATOM 724 O GLY A 94 26.357 28.032 3.020 1.00 20.64 O ATOM 725 H GLY A 94 23.903 29.634 6.055 1.00 0.00 H ATOM 726 N SER A 95 26.004 27.531 5.179 1.00 19.26 N ATOM 727 CA SER A 95 26.590 26.215 5.047 1.00 20.14 C ATOM 728 C SER A 95 25.834 25.383 4.007 1.00 17.71 C ATOM 729 O SER A 95 24.614 25.417 3.941 1.00 20.72 O ATOM 730 CB SER A 95 26.507 25.514 6.405 1.00 26.07 C ATOM 731 OG SER A 95 27.092 24.251 6.382 1.00 27.37 O ATOM 732 HG SER A 95 28.047 24.336 6.137 1.00 0.00 H ATOM 733 H SER A 95 25.611 27.828 6.095 1.00 0.00 H ATOM 734 N HIS A 96 26.559 24.623 3.201 1.00 19.28 N ATOM 735 CA HIS A 96 25.885 23.771 2.224 1.00 19.14 C ATOM 736 C HIS A 96 25.333 22.531 2.928 1.00 19.13 C ATOM 737 O HIS A 96 26.071 21.680 3.376 1.00 21.91 O ATOM 738 CB HIS A 96 26.837 23.399 1.100 1.00 24.57 C ATOM 739 CG HIS A 96 26.196 22.500 0.105 1.00 27.56 C ATOM 740 ND1 HIS A 96 26.863 21.437 -0.448 1.00 33.05 N ATOM 741 CD2 HIS A 96 24.906 22.390 -0.298 1.00 22.34 C ATOM 742 CE1 HIS A 96 26.036 20.767 -1.241 1.00 40.48 C ATOM 743 NE2 HIS A 96 24.844 21.322 -1.162 1.00 33.81 N ATOM 744 H HIS A 96 27.597 24.632 3.263 1.00 0.00 H ATOM 745 N LEU A 97 24.015 22.460 3.043 1.00 17.60 N ATOM 746 CA LEU A 97 23.365 21.383 3.775 1.00 18.23 C ATOM 747 C LEU A 97 22.800 20.303 2.878 1.00 25.47 C ATOM 748 O LEU A 97 22.575 19.229 3.335 1.00 16.13 O ATOM 749 CB LEU A 97 22.292 21.877 4.706 1.00 20.00 C ATOM 750 CG LEU A 97 22.798 22.833 5.767 1.00 21.39 C ATOM 751 CD1 LEU A 97 21.660 23.206 6.712 1.00 21.33 C ATOM 752 CD2 LEU A 97 23.959 22.247 6.564 1.00 17.56 C ATOM 753 H LEU A 97 23.428 23.194 2.598 1.00 0.00 H ATOM 754 N GLY A 98 22.632 20.544 1.591 1.00 16.86 N ATOM 755 CA GLY A 98 22.152 19.509 0.755 1.00 17.23 C ATOM 756 C GLY A 98 21.510 20.091 -0.494 1.00 17.78 C ATOM 757 O GLY A 98 22.042 21.056 -1.048 1.00 17.80 O ATOM 758 H GLY A 98 22.850 21.482 1.197 1.00 0.00 H ATOM 759 N TRP A 99 20.395 19.482 -0.857 1.00 16.19 N ATOM 760 CA TRP A 99 19.666 19.809 -2.134 1.00 18.17 C ATOM 761 C TRP A 99 18.173 19.698 -1.908 1.00 20.17 C ATOM 762 O TRP A 99 17.703 18.882 -1.096 1.00 18.22 O ATOM 763 CB TRP A 99 20.105 18.833 -3.241 1.00 16.16 C ATOM 764 CG TRP A 99 21.549 18.822 -3.507 1.00 15.89 C ATOM 765 CD1 TRP A 99 22.232 19.621 -4.416 1.00 22.70 C ATOM 766 CD2 TRP A 99 22.550 18.090 -2.792 1.00 16.69 C ATOM 767 NE1 TRP A 99 23.581 19.412 -4.324 1.00 23.72 N ATOM 768 CE2 TRP A 99 23.818 18.498 -3.320 1.00 20.39 C ATOM 769 CE3 TRP A 99 22.504 17.134 -1.782 1.00 19.79 C ATOM 770 CZ2 TRP A 99 24.978 17.973 -2.888 1.00 24.27 C ATOM 771 CZ3 TRP A 99 23.678 16.623 -1.315 1.00 21.25 C ATOM 772 CH2 TRP A 99 24.912 17.049 -1.869 1.00 22.57 C ATOM 773 HE1 TRP A 99 24.307 19.867 -4.914 1.00 0.00 H ATOM 774 H TRP A 99 20.004 18.746 -0.235 1.00 0.00 H ATOM 775 N HIS A 100 17.423 20.551 -2.617 1.00 17.98 N ATOM 776 CA HIS A 100 16.007 20.399 -2.797 1.00 19.02 C ATOM 777 C HIS A 100 15.760 19.770 -4.162 1.00 19.06 C ATOM 778 O HIS A 100 16.345 20.193 -5.133 1.00 20.30 O ATOM 779 CB HIS A 100 15.278 21.713 -2.745 1.00 22.50 C ATOM 780 CG HIS A 100 13.777 21.590 -2.743 1.00 22.15 C ATOM 781 ND1 HIS A 100 12.987 22.162 -3.706 1.00 29.10 N ATOM 782 CD2 HIS A 100 12.926 20.998 -1.873 1.00 24.38 C ATOM 783 CE1 HIS A 100 11.716 21.895 -3.451 1.00 32.14 C ATOM 784 NE2 HIS A 100 11.661 21.180 -2.351 1.00 28.04 N ATOM 785 H HIS A 100 17.891 21.367 -3.061 1.00 0.00 H ATOM 786 N TYR A 101 14.849 18.797 -4.178 1.00 16.39 N ATOM 787 CA TYR A 101 14.453 18.047 -5.373 1.00 20.64 C ATOM 788 C TYR A 101 13.013 18.410 -5.685 1.00 21.14 C ATOM 789 O TYR A 101 12.167 18.474 -4.805 1.00 19.24 O ATOM 790 CB TYR A 101 14.639 16.551 -5.172 1.00 17.52 C ATOM 791 CG TYR A 101 16.075 16.167 -5.084 1.00 18.03 C ATOM 792 CD1 TYR A 101 16.819 15.932 -6.177 1.00 18.66 C ATOM 793 CD2 TYR A 101 16.721 16.083 -3.826 1.00 14.64 C ATOM 794 CE1 TYR A 101 18.173 15.612 -6.100 1.00 19.69 C ATOM 795 CE2 TYR A 101 18.045 15.746 -3.752 1.00 17.55 C ATOM 796 CZ TYR A 101 18.773 15.503 -4.888 1.00 20.23 C ATOM 797 OH TYR A 101 20.115 15.217 -4.816 1.00 21.17 O ATOM 798 HH TYR A 101 20.470 15.072 -5.729 1.00 0.00 H ATOM 799 H TYR A 101 14.387 18.553 -3.279 1.00 0.00 H ATOM 800 N GLU A 102 12.740 18.624 -6.955 1.00 20.14 N ATOM 801 CA GLU A 102 11.413 18.903 -7.420 1.00 21.24 C ATOM 802 C GLU A 102 11.232 18.385 -8.838 1.00 21.78 C ATOM 803 O GLU A 102 12.163 17.881 -9.440 1.00 21.65 O ATOM 804 CB GLU A 102 11.180 20.406 -7.429 1.00 26.23 C ATOM 805 CG GLU A 102 11.960 21.107 -8.577 1.00 38.14 C ATOM 806 CD GLU A 102 11.248 22.380 -8.967 1.00 75.54 C ATOM 807 OE1 GLU A 102 11.275 23.352 -8.178 1.00 47.54 O ATOM 808 OE2 GLU A 102 10.595 22.369 -10.032 1.00 68.91 O ATOM 809 H GLU A 102 13.516 18.589 -7.647 1.00 0.00 H ATOM 810 N GLY A 103 10.018 18.455 -9.335 1.00 22.13 N ATOM 811 CA GLY A 103 9.728 18.102 -10.739 1.00 30.40 C ATOM 812 C GLY A 103 9.450 16.641 -10.976 1.00 23.39 C ATOM 813 O GLY A 103 9.242 16.189 -12.123 1.00 22.03 O ATOM 814 H GLY A 103 9.239 18.768 -8.722 1.00 0.00 H ATOM 815 N GLY A 104 9.362 15.905 -9.869 1.00 23.62 N ATOM 816 CA GLY A 104 9.252 14.495 -9.933 1.00 19.89 C ATOM 817 C GLY A 104 7.898 13.992 -9.564 1.00 21.16 C ATOM 818 O GLY A 104 6.910 14.712 -9.725 1.00 25.62 O ATOM 819 H GLY A 104 9.374 16.375 -8.941 1.00 0.00 H ATOM 820 N SER A 105 7.825 12.696 -9.188 1.00 24.15 N ATOM 821 CA SER A 105 6.554 12.088 -8.875 1.00 22.76 C ATOM 822 C SER A 105 6.608 11.249 -7.557 1.00 30.54 C ATOM 823 O SER A 105 7.509 10.484 -7.359 1.00 23.92 O ATOM 824 CB SER A 105 6.164 11.186 -10.027 1.00 32.05 C ATOM 825 OG SER A 105 6.124 11.895 -11.294 1.00 25.92 O ATOM 826 HG SER A 105 7.019 12.272 -11.488 1.00 0.00 H ATOM 827 H SER A 105 8.695 12.130 -9.123 1.00 0.00 H ATOM 828 N GLN A 106 5.601 11.378 -6.721 1.00 24.73 N ATOM 829 CA GLN A 106 5.411 10.493 -5.578 1.00 29.31 C ATOM 830 C GLN A 106 6.643 10.358 -4.738 1.00 27.58 C ATOM 831 O GLN A 106 7.212 9.276 -4.605 1.00 29.43 O ATOM 832 CB GLN A 106 4.912 9.106 -6.046 1.00 34.03 C ATOM 833 CG GLN A 106 4.239 8.310 -4.912 1.00 44.09 C ATOM 834 CD GLN A 106 3.316 7.225 -5.417 1.00 51.05 C ATOM 835 OE1 GLN A 106 3.482 6.734 -6.524 1.00 50.54 O ATOM 836 NE2 GLN A 106 2.346 6.833 -4.594 1.00 87.33 N ATOM 837 HE22 GLN A 106 2.243 7.280 -3.661 1.00 0.00 H ATOM 838 HE21 GLN A 106 1.691 6.079 -4.884 1.00 0.00 H ATOM 839 H GLN A 106 4.913 12.141 -6.882 1.00 0.00 H ATOM 840 N PRO A 107 7.039 11.443 -4.114 1.00 26.41 N ATOM 841 CA PRO A 107 6.440 12.757 -4.056 1.00 27.84 C ATOM 842 C PRO A 107 6.983 13.654 -5.161 1.00 25.41 C ATOM 843 O PRO A 107 8.054 13.378 -5.699 1.00 22.39 O ATOM 844 CB PRO A 107 6.905 13.266 -2.712 1.00 30.89 C ATOM 845 CG PRO A 107 8.273 12.697 -2.597 1.00 28.81 C ATOM 846 CD PRO A 107 8.185 11.342 -3.213 1.00 35.52 C ATOM 847 N GLN A 108 6.300 14.757 -5.431 1.00 24.73 N ATOM 848 CA GLN A 108 6.839 15.730 -6.414 1.00 27.70 C ATOM 849 C GLN A 108 8.152 16.347 -5.964 1.00 25.62 C ATOM 850 O GLN A 108 9.005 16.641 -6.782 1.00 20.98 O ATOM 851 CB GLN A 108 5.810 16.816 -6.693 1.00 24.50 C ATOM 852 CG GLN A 108 4.635 16.347 -7.451 1.00 26.45 C ATOM 853 CD GLN A 108 3.563 17.386 -7.548 1.00 26.92 C ATOM 854 OE1 GLN A 108 3.281 18.079 -6.588 1.00 32.89 O ATOM 855 NE2 GLN A 108 2.975 17.496 -8.664 1.00 30.60 N ATOM 856 HE22 GLN A 108 3.248 16.883 -9.458 1.00 0.00 H ATOM 857 HE21 GLN A 108 2.219 18.200 -8.786 1.00 0.00 H ATOM 858 H GLN A 108 5.392 14.940 -4.957 1.00 0.00 H ATOM 859 N THR A 109 8.281 16.580 -4.661 1.00 19.15 N ATOM 860 CA THR A 109 9.380 17.278 -4.031 1.00 20.49 C ATOM 861 C THR A 109 9.867 16.580 -2.764 1.00 22.00 C ATOM 862 O THR A 109 9.125 15.845 -2.148 1.00 20.46 O ATOM 863 CB THR A 109 9.049 18.763 -3.638 1.00 25.29 C ATOM 864 OG1 THR A 109 8.110 18.784 -2.552 1.00 27.67 O ATOM 865 CG2 THR A 109 8.440 19.553 -4.831 1.00 28.56 C ATOM 866 HG1 THR A 109 7.907 19.722 -2.311 1.00 0.00 H ATOM 867 H THR A 109 7.524 16.229 -4.040 1.00 0.00 H ATOM 868 N PHE A 110 11.148 16.781 -2.433 1.00 18.81 N ATOM 869 CA PHE A 110 11.722 16.358 -1.111 1.00 19.85 C ATOM 870 C PHE A 110 13.090 16.989 -0.977 1.00 21.21 C ATOM 871 O PHE A 110 13.623 17.618 -1.898 1.00 17.30 O ATOM 872 CB PHE A 110 11.774 14.807 -0.996 1.00 18.21 C ATOM 873 CG PHE A 110 12.808 14.137 -1.921 1.00 17.81 C ATOM 874 CD1 PHE A 110 12.528 13.949 -3.267 1.00 19.58 C ATOM 875 CD2 PHE A 110 14.083 13.820 -1.479 1.00 16.39 C ATOM 876 CE1 PHE A 110 13.437 13.335 -4.122 1.00 20.49 C ATOM 877 CE2 PHE A 110 15.021 13.295 -2.342 1.00 23.39 C ATOM 878 CZ PHE A 110 14.687 13.043 -3.674 1.00 18.69 C ATOM 879 H PHE A 110 11.772 17.250 -3.120 1.00 0.00 H ATOM 880 N PHE A 111 13.716 16.816 0.199 1.00 17.44 N ATOM 881 CA PHE A 111 15.019 17.314 0.393 1.00 14.77 C ATOM 882 C PHE A 111 15.985 16.201 0.639 1.00 18.89 C ATOM 883 O PHE A 111 15.676 15.193 1.327 1.00 20.49 O ATOM 884 CB PHE A 111 15.029 18.184 1.673 1.00 16.70 C ATOM 885 CG PHE A 111 14.203 19.416 1.574 1.00 19.40 C ATOM 886 CD1 PHE A 111 12.844 19.377 1.779 1.00 21.41 C ATOM 887 CD2 PHE A 111 14.792 20.619 1.318 1.00 25.06 C ATOM 888 CE1 PHE A 111 12.080 20.528 1.689 1.00 24.69 C ATOM 889 CE2 PHE A 111 14.039 21.773 1.211 1.00 22.21 C ATOM 890 CZ PHE A 111 12.694 21.731 1.399 1.00 23.62 C ATOM 891 H PHE A 111 13.235 16.311 0.971 1.00 0.00 H ATOM 892 N GLY A 112 17.164 16.340 0.074 1.00 14.75 N ATOM 893 CA GLY A 112 18.274 15.448 0.384 1.00 15.64 C ATOM 894 C GLY A 112 19.293 16.186 1.174 1.00 18.35 C ATOM 895 O GLY A 112 19.934 17.041 0.646 1.00 17.57 O ATOM 896 H GLY A 112 17.308 17.107 -0.613 1.00 0.00 H ATOM 897 N LEU A 113 19.462 15.834 2.443 1.00 16.60 N ATOM 898 CA LEU A 113 20.351 16.542 3.330 1.00 13.80 C ATOM 899 C LEU A 113 21.576 15.705 3.711 1.00 18.07 C ATOM 900 O LEU A 113 21.497 14.507 3.970 1.00 18.99 O ATOM 901 CB LEU A 113 19.614 17.020 4.558 1.00 19.47 C ATOM 902 CG LEU A 113 18.430 17.969 4.256 1.00 19.78 C ATOM 903 CD1 LEU A 113 17.749 18.398 5.537 1.00 24.57 C ATOM 904 CD2 LEU A 113 18.847 19.203 3.458 1.00 22.15 C ATOM 905 H LEU A 113 18.933 15.017 2.811 1.00 0.00 H ATOM 906 N ILE A 114 22.710 16.384 3.874 1.00 18.28 N ATOM 907 CA ILE A 114 23.976 15.727 4.116 1.00 17.30 C ATOM 908 C ILE A 114 24.094 15.453 5.645 1.00 17.99 C ATOM 909 O ILE A 114 24.182 16.380 6.425 1.00 17.83 O ATOM 910 CB ILE A 114 25.130 16.584 3.645 1.00 14.62 C ATOM 911 CG1 ILE A 114 25.036 16.825 2.127 1.00 18.01 C ATOM 912 CG2 ILE A 114 26.472 15.924 3.972 1.00 18.81 C ATOM 913 CD1 ILE A 114 25.786 18.080 1.744 1.00 19.55 C ATOM 914 H ILE A 114 22.685 17.423 3.826 1.00 0.00 H ATOM 915 N LYS A 115 24.126 14.194 6.005 1.00 20.76 N ATOM 916 CA LYS A 115 23.958 13.791 7.375 1.00 19.81 C ATOM 917 C LYS A 115 24.993 14.402 8.297 1.00 21.17 C ATOM 918 O LYS A 115 24.660 14.867 9.392 1.00 20.03 O ATOM 919 CB LYS A 115 23.947 12.263 7.498 1.00 25.31 C ATOM 920 CG LYS A 115 23.930 11.710 8.948 1.00 35.55 C ATOM 921 CD LYS A 115 22.643 12.087 9.692 1.00 36.43 C ATOM 922 CE LYS A 115 22.400 11.336 11.000 1.00 44.29 C ATOM 923 NZ LYS A 115 23.313 11.645 12.142 1.00 40.36 N ATOM 924 HZ1 LYS A 115 24.292 11.424 11.871 1.00 0.00 H ATOM 925 HZ2 LYS A 115 23.238 12.654 12.381 1.00 0.00 H ATOM 926 HZ3 LYS A 115 23.042 11.071 12.966 1.00 0.00 H ATOM 927 H LYS A 115 24.277 13.465 5.279 1.00 0.00 H ATOM 928 N ASP A 116 26.253 14.402 7.882 1.00 19.87 N ATOM 929 CA ASP A 116 27.334 14.918 8.716 1.00 20.90 C ATOM 930 C ASP A 116 27.386 16.471 8.802 1.00 22.77 C ATOM 931 O ASP A 116 28.171 17.011 9.570 1.00 22.23 O ATOM 932 CB ASP A 116 28.655 14.284 8.298 1.00 24.01 C ATOM 933 CG ASP A 116 28.909 14.451 6.845 1.00 28.17 C ATOM 934 OD1 ASP A 116 28.195 13.807 6.063 1.00 30.97 O ATOM 935 OD2 ASP A 116 29.817 15.189 6.519 1.00 31.96 O ATOM 936 H ASP A 116 26.476 14.025 6.939 1.00 0.00 H ATOM 937 N ARG A 117 26.522 17.175 8.065 1.00 18.22 N ATOM 938 CA ARG A 117 26.355 18.619 8.187 1.00 16.22 C ATOM 939 C ARG A 117 25.217 19.016 9.107 1.00 17.72 C ATOM 940 O ARG A 117 24.946 20.213 9.294 1.00 19.00 O ATOM 941 CB ARG A 117 26.199 19.260 6.811 1.00 22.43 C ATOM 942 CG ARG A 117 27.286 18.816 5.857 1.00 27.00 C ATOM 943 CD ARG A 117 28.013 19.863 5.069 1.00 46.63 C ATOM 944 NE ARG A 117 28.885 19.167 4.109 1.00 48.80 N ATOM 945 CZ ARG A 117 29.186 19.550 2.874 1.00 46.52 C ATOM 946 NH1 ARG A 117 30.001 18.768 2.172 1.00 53.40 N ATOM 947 NH2 ARG A 117 28.654 20.632 2.290 1.00 34.20 N ATOM 948 HE ARG A 117 29.313 18.277 4.434 1.00 0.00 H ATOM 949 HH12 ARG A 117 30.263 19.030 1.200 1.00 0.00 H ATOM 950 HH11 ARG A 117 30.376 17.895 2.595 1.00 0.00 H ATOM 951 HH22 ARG A 117 28.926 20.886 1.319 1.00 0.00 H ATOM 952 HH21 ARG A 117 27.969 21.218 2.808 1.00 0.00 H ATOM 953 H ARG A 117 25.939 16.668 7.369 1.00 0.00 H ATOM 954 N LEU A 118 24.539 18.029 9.692 1.00 17.91 N ATOM 955 CA LEU A 118 23.444 18.273 10.613 1.00 15.81 C ATOM 956 C LEU A 118 23.817 17.741 12.046 1.00 15.23 C ATOM 957 O LEU A 118 24.574 16.807 12.160 1.00 21.55 O ATOM 958 CB LEU A 118 22.195 17.550 10.164 1.00 17.73 C ATOM 959 CG LEU A 118 21.657 17.850 8.755 1.00 16.73 C ATOM 960 CD1 LEU A 118 20.519 16.918 8.475 1.00 19.96 C ATOM 961 CD2 LEU A 118 21.241 19.282 8.606 1.00 21.63 C ATOM 962 H LEU A 118 24.805 17.046 9.480 1.00 0.00 H ATOM 963 N ALA A 119 23.214 18.327 13.070 1.00 18.84 N ATOM 964 CA ALA A 119 23.308 17.869 14.466 1.00 16.63 C ATOM 965 C ALA A 119 21.940 17.478 14.890 1.00 17.49 C ATOM 966 O ALA A 119 20.990 18.207 14.695 1.00 23.63 O ATOM 967 CB ALA A 119 23.911 18.959 15.363 1.00 19.98 C ATOM 968 H ALA A 119 22.635 19.168 12.874 1.00 0.00 H ATOM 969 N GLU A 120 21.820 16.264 15.441 1.00 20.90 N ATOM 970 CA GLU A 120 20.590 15.728 15.915 1.00 21.72 C ATOM 971 C GLU A 120 20.420 15.837 17.408 1.00 21.38 C ATOM 972 O GLU A 120 21.336 15.585 18.166 1.00 20.62 O ATOM 973 CB GLU A 120 20.538 14.244 15.576 1.00 26.60 C ATOM 974 CG GLU A 120 19.159 13.639 15.710 1.00 33.02 C ATOM 975 CD GLU A 120 19.067 12.137 15.284 1.00 42.45 C ATOM 976 OE1 GLU A 120 20.029 11.562 14.722 1.00 39.55 O ATOM 977 OE2 GLU A 120 18.009 11.519 15.443 1.00 37.93 O ATOM 978 H GLU A 120 22.675 15.679 15.528 1.00 0.00 H ATOM 979 N GLY A 121 19.225 16.179 17.815 1.00 21.65 N ATOM 980 CA GLY A 121 18.984 16.425 19.233 1.00 24.61 C ATOM 981 C GLY A 121 17.539 16.561 19.640 1.00 25.93 C ATOM 982 O GLY A 121 16.601 16.392 18.864 1.00 23.51 O ATOM 983 H GLY A 121 18.449 16.275 17.130 1.00 0.00 H ATOM 984 N PRO A 122 17.343 16.873 20.910 1.00 26.19 N ATOM 985 CA PRO A 122 15.975 16.990 21.438 1.00 32.06 C ATOM 986 C PRO A 122 15.159 18.156 20.746 1.00 29.14 C ATOM 987 O PRO A 122 15.752 19.190 20.410 1.00 31.82 O ATOM 988 CB PRO A 122 16.185 17.255 22.907 1.00 35.76 C ATOM 989 CG PRO A 122 17.642 17.576 23.095 1.00 31.66 C ATOM 990 CD PRO A 122 18.393 17.028 21.905 1.00 26.12 C ATOM 991 N ALA A 123 13.829 18.001 20.586 1.00 31.16 N ATOM 992 CA ALA A 123 12.907 19.057 19.947 1.00 38.72 C ATOM 993 C ALA A 123 12.846 20.385 20.700 1.00 37.92 C ATOM 994 O ALA A 123 12.941 20.318 21.957 1.00 40.21 O ATOM 995 CB ALA A 123 11.492 18.517 19.856 1.00 42.51 C ATOM 996 H ALA A 123 13.399 17.113 20.915 1.00 0.00 H TER 997 ALA A 123 HETATM 998 ZN ZN A 1 23.940 27.111 9.588 1.00 21.07 ZN HETATM 999 O HOH 2 28.480 12.940 3.900 1.00 25.85 O HETATM 1000 O HOH 3 29.551 24.432 6.256 1.00 40.38 O HETATM 1001 O HOH 4 30.230 17.174 5.046 1.00 36.22 O HETATM 1002 O HOH 5 10.628 21.982 13.207 1.00 43.62 O HETATM 1003 O HOH 6 33.699 14.132 -13.152 1.00 45.15 O HETATM 1004 O HOH 7 11.409 8.833 11.202 1.00 42.26 O HETATM 1005 O HOH 8 12.630 8.515 -8.775 1.00 37.69 O HETATM 1006 O HOH 9 8.237 11.617 5.377 1.00 24.59 O HETATM 1007 O HOH 10 9.438 8.704 -5.760 1.00 40.03 O HETATM 1008 O HOH 11 22.341 31.702 3.300 1.00 38.64 O HETATM 1009 O HOH 12 7.972 15.487 0.146 1.00 28.02 O HETATM 1010 O HOH 13 23.518 21.442 -13.589 1.00 39.39 O HETATM 1011 O HOH 14 10.712 14.714 -14.113 1.00 22.68 O HETATM 1012 O HOH 15 13.905 23.525 -5.746 1.00 38.77 O HETATM 1013 O HOH 16 22.545 2.930 3.600 1.00 47.90 O HETATM 1014 O HOH 17 15.107 17.689 -16.180 1.00 20.83 O HETATM 1015 O HOH 18 23.520 14.318 12.237 1.00 34.44 O HETATM 1016 O HOH 19 25.219 9.828 11.610 1.00 28.81 O HETATM 1017 O HOH 20 31.579 16.570 8.009 1.00 24.77 O HETATM 1018 O HOH 21 6.376 17.305 -10.316 1.00 22.31 O HETATM 1019 O HOH 22 20.647 23.682 -9.566 1.00 27.73 O HETATM 1020 O HOH 23 9.791 9.131 -7.935 1.00 44.53 O HETATM 1021 O HOH 24 29.392 21.278 8.702 1.00 38.67 O HETATM 1022 O HOH 25 8.692 11.651 -12.151 1.00 34.10 O HETATM 1023 O HOH 26 29.586 23.152 15.399 1.00 29.27 O HETATM 1024 O HOH 27 15.990 21.878 19.911 1.00 26.40 O HETATM 1025 O HOH 28 9.491 21.351 -0.662 1.00 41.09 O HETATM 1026 O HOH 29 4.156 18.578 -4.023 1.00 37.36 O HETATM 1027 O HOH 30 23.106 14.580 -16.413 1.00 41.25 O HETATM 1028 O HOH 31 7.033 21.214 -1.817 1.00 40.81 O HETATM 1029 O HOH 32 15.094 29.983 5.599 1.00 36.90 O HETATM 1030 O HOH 33 19.207 33.562 4.005 1.00 37.71 O HETATM 1031 O HOH 34 29.094 29.394 5.441 1.00 46.73 O HETATM 1032 O HOH 35 16.156 11.726 -14.017 1.00 36.59 O HETATM 1033 O HOH 36 7.390 12.879 0.684 1.00 41.16 O HETATM 1034 O HOH 37 7.542 19.577 -8.692 1.00 28.27 O HETATM 1035 O HOH 38 23.547 5.923 9.081 1.00 49.91 O HETATM 1036 O HOH 39 10.914 14.096 14.855 1.00 26.90 O HETATM 1037 O HOH 40 20.267 3.816 -0.646 1.00 52.82 O HETATM 1038 O HOH 41 17.213 14.556 -13.598 1.00 42.90 O HETATM 1039 O HOH 42 16.315 7.157 -8.514 1.00 35.17 O HETATM 1040 O HOH 43 14.774 3.996 5.536 1.00 48.06 O HETATM 1041 O HOH 44 29.383 24.674 3.200 1.00 28.57 O HETATM 1042 O HOH 45 21.419 25.144 -7.386 1.00 26.85 O HETATM 1043 O HOH 46 34.786 10.994 -2.006 1.00 28.19 O HETATM 1044 O HOH 47 26.665 22.446 8.526 1.00 21.76 O HETATM 1045 O HOH 48 29.643 20.867 -0.359 1.00 41.04 O HETATM 1046 O HOH 49 32.343 11.008 -9.266 1.00 35.60 O HETATM 1047 O HOH 50 32.232 20.869 10.463 1.00 37.26 O HETATM 1048 O HOH 51 3.638 14.927 -4.373 1.00 30.00 O HETATM 1049 O HOH 52 30.965 20.556 14.752 1.00 39.18 O HETATM 1050 O HOH 53 13.689 7.056 12.242 1.00 44.03 O HETATM 1051 O HOH 54 9.606 18.927 -0.093 1.00 37.31 O HETATM 1052 O HOH 55 14.130 15.364 -13.994 1.00 42.76 O HETATM 1053 O HOH 56 5.792 16.931 -2.846 1.00 30.00 O HETATM 1054 O HOH 57 24.670 32.379 -1.655 1.00 47.98 O HETATM 1055 O HOH 58 27.402 18.644 -8.612 1.00 41.66 O HETATM 1056 O HOH 59 10.192 10.939 -9.952 1.00 26.00 O HETATM 1057 O HOH 60 5.026 17.715 11.647 1.00 36.02 O HETATM 1058 O HOH 61 20.651 11.103 -13.708 1.00 46.31 O HETATM 1059 O HOH 62 14.855 21.759 -7.353 1.00 35.73 O HETATM 1060 O HOH 63 28.364 10.774 6.643 1.00 38.38 O HETATM 1061 O HOH 64 20.278 5.157 8.364 1.00 50.47 O HETATM 1062 O HOH 65 17.739 13.884 21.678 1.00 53.82 O HETATM 1063 O HOH 66 30.972 12.077 3.357 1.00 45.12 O HETATM 1064 O HOH 67 7.486 21.868 -9.676 1.00 40.20 O HETATM 1065 O HOH 68 30.789 19.342 8.672 1.00 33.32 O HETATM 1066 O HOH 69 30.540 27.875 11.898 1.00 46.82 O HETATM 1067 O HOH 70 30.154 18.303 -8.682 1.00 34.19 O HETATM 1068 O HOH 71 19.214 8.324 -10.837 1.00 40.37 O HETATM 1069 O HOH 72 26.759 18.828 -5.826 1.00 45.15 O HETATM 1070 O HOH 73 7.083 20.707 13.876 1.00 39.48 O HETATM 1071 O HOH 74 21.054 7.348 13.373 1.00 36.99 O HETATM 1072 O HOH 75 6.709 9.217 4.906 1.00 39.73 O HETATM 1073 O HOH 76 26.451 22.070 -8.084 1.00 41.82 O HETATM 1074 O HOH 77 25.454 23.858 -9.220 1.00 43.95 O HETATM 1075 O HYN A 78 21.362 15.044 -7.239 1.00 -0.38 O HETATM 1076 C HYN A 78 22.466 15.696 -7.329 1.00 0.23 C HETATM 1077 C1 HYN A 78 22.781 16.865 -6.478 1.00 0.13 C HETATM 1078 N HYN A 78 24.120 17.134 -6.937 1.00 -0.25 N HETATM 1079 C2 HYN A 78 24.407 16.225 -7.900 1.00 0.29 C HETATM 1080 N1 HYN A 78 23.408 15.309 -8.214 1.00 -0.18 N HETATM 1081 H4 HYN A 78 23.393 14.578 -8.896 1.00 0.23 H HETATM 1082 O1 HYN A 78 25.530 16.264 -8.455 1.00 -0.39 O HETATM 1083 H3 HYN A 78 24.726 17.858 -6.606 1.00 0.19 H HETATM 1084 H1 HYN A 78 22.756 16.613 -5.408 1.00 0.08 H HETATM 1085 H2 HYN A 78 22.103 17.709 -6.672 1.00 0.08 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 60 59 998 CONECT 96 95 998 CONECT 695 694 998 CONECT 719 718 998 CONECT 998 60 96 695 719 CONECT 1075 1076 CONECT 1076 1075 1077 1080 CONECT 1077 1076 1078 1084 1085 CONECT 1078 1077 1079 1083 CONECT 1079 1078 1080 1082 CONECT 1080 1076 1079 1081 CONECT 1081 1080 CONECT 1082 1079 CONECT 1083 1078 CONECT 1084 1077 CONECT 1085 1077 MASTER 0 0 0 0 0 0 0 0 1084 1 20 9 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5oh7
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%
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
5oh7
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
HYN
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Ki=43uM
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
O
2
Molecular Weight
100.076
Exact Mass
100.027
No. of atoms
11
No. of bonds
11
Polar Surface Area
58.2
LOGP Value
-1.05 (
Computed with XLOGP3
)
-0.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
O=C1NCC(=O)N1
InChI String
InChI=1S/C3H4N2O2/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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