Browse entries in the PDBbind-CN Database
HEADER 5OH2_COMPLEX COMPND 5OH2_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 BAQ A 163 13 ATOM 1 N ALA A 19 17.379 12.917 20.807 1.00 57.60 N ATOM 2 CA ALA A 19 17.792 12.863 19.376 1.00 54.37 C ATOM 3 C ALA A 19 16.583 12.830 18.405 1.00 53.88 C ATOM 4 O ALA A 19 16.325 11.818 17.767 1.00 57.66 O ATOM 5 CB ALA A 19 18.703 11.668 19.127 1.00 54.93 C ATOM 6 HN3 ALA A 19 16.810 12.077 21.034 1.00 0.00 H ATOM 7 HN2 ALA A 19 16.814 13.775 20.971 1.00 0.00 H ATOM 8 HN1 ALA A 19 18.226 12.937 21.410 1.00 0.00 H ATOM 9 N SER A 20 15.848 13.933 18.298 1.00 47.77 N ATOM 10 CA SER A 20 14.702 13.962 17.453 1.00 43.00 C ATOM 11 C SER A 20 14.712 15.110 16.443 1.00 37.65 C ATOM 12 O SER A 20 14.033 14.954 15.461 1.00 38.24 O ATOM 13 CB SER A 20 13.394 13.891 18.259 1.00 46.32 C ATOM 14 OG SER A 20 12.936 15.169 18.636 1.00 49.74 O ATOM 15 HG SER A 20 12.095 15.078 19.151 1.00 0.00 H ATOM 16 H SER A 20 16.113 14.783 18.836 1.00 0.00 H ATOM 17 N ILE A 21 15.482 16.203 16.614 1.00 32.14 N ATOM 18 CA ILE A 21 15.587 17.221 15.568 1.00 29.88 C ATOM 19 C ILE A 21 17.021 17.405 15.059 1.00 26.11 C ATOM 20 O ILE A 21 17.983 17.067 15.738 1.00 28.35 O ATOM 21 CB ILE A 21 15.030 18.598 15.939 1.00 31.74 C ATOM 22 CG1 ILE A 21 15.841 19.265 17.009 1.00 33.93 C ATOM 23 CG2 ILE A 21 13.557 18.506 16.345 1.00 35.75 C ATOM 24 CD1 ILE A 21 15.713 20.773 16.949 1.00 37.41 C ATOM 25 H ILE A 21 16.009 16.325 17.502 1.00 0.00 H ATOM 26 N PHE A 22 17.131 17.907 13.849 1.00 22.56 N ATOM 27 CA PHE A 22 18.394 18.161 13.229 1.00 21.57 C ATOM 28 C PHE A 22 18.606 19.659 13.126 1.00 22.19 C ATOM 29 O PHE A 22 17.755 20.375 12.603 1.00 21.51 O ATOM 30 CB PHE A 22 18.437 17.533 11.839 1.00 21.73 C ATOM 31 CG PHE A 22 18.429 16.057 11.852 1.00 23.67 C ATOM 32 CD1 PHE A 22 19.596 15.384 12.068 1.00 24.80 C ATOM 33 CD2 PHE A 22 17.250 15.343 11.642 1.00 25.54 C ATOM 34 CE1 PHE A 22 19.630 13.996 12.084 1.00 25.75 C ATOM 35 CE2 PHE A 22 17.279 13.955 11.651 1.00 25.98 C ATOM 36 CZ PHE A 22 18.466 13.294 11.894 1.00 26.73 C ATOM 37 H PHE A 22 16.263 18.129 13.321 1.00 0.00 H ATOM 38 N ARG A 23 19.772 20.103 13.599 1.00 20.48 N ATOM 39 CA ARG A 23 20.205 21.452 13.489 1.00 20.27 C ATOM 40 C ARG A 23 21.433 21.551 12.639 1.00 20.49 C ATOM 41 O ARG A 23 22.139 20.568 12.448 1.00 20.26 O ATOM 42 CB ARG A 23 20.549 21.995 14.875 1.00 20.92 C ATOM 43 CG ARG A 23 19.353 22.140 15.787 1.00 22.43 C ATOM 44 CD ARG A 23 19.708 22.697 17.170 1.00 24.02 C ATOM 45 NE ARG A 23 18.500 22.841 17.970 1.00 24.86 N ATOM 46 CZ ARG A 23 17.592 23.801 17.847 1.00 26.96 C ATOM 47 NH1 ARG A 23 17.794 24.805 17.010 1.00 27.52 N ATOM 48 NH2 ARG A 23 16.461 23.747 18.560 1.00 31.13 N ATOM 49 HE ARG A 23 18.333 22.125 18.706 1.00 0.00 H ATOM 50 HH12 ARG A 23 17.080 25.556 16.916 1.00 0.00 H ATOM 51 HH11 ARG A 23 18.667 24.844 16.446 1.00 0.00 H ATOM 52 HH22 ARG A 23 15.749 24.499 18.464 1.00 0.00 H ATOM 53 HH21 ARG A 23 16.294 22.953 19.210 1.00 0.00 H ATOM 54 H ARG A 23 20.399 19.424 14.075 1.00 0.00 H ATOM 55 N CYS A 24 21.677 22.738 12.102 1.00 19.89 N ATOM 56 CA CYS A 24 22.923 23.024 11.399 1.00 20.36 C ATOM 57 C CYS A 24 24.092 22.843 12.353 1.00 21.92 C ATOM 58 O CYS A 24 24.122 23.469 13.414 1.00 20.83 O ATOM 59 CB CYS A 24 22.904 24.455 10.866 1.00 20.31 C ATOM 60 SG CYS A 24 24.493 24.988 10.103 1.00 21.07 S ATOM 61 H CYS A 24 20.960 23.487 12.184 1.00 0.00 H ATOM 62 N ARG A 25 25.047 22.001 11.962 1.00 19.79 N ATOM 63 CA ARG A 25 26.203 21.719 12.776 1.00 22.60 C ATOM 64 C ARG A 25 27.042 22.988 13.059 1.00 23.94 C ATOM 65 O ARG A 25 27.632 23.100 14.119 1.00 25.28 O ATOM 66 CB ARG A 25 27.058 20.672 12.058 1.00 22.35 C ATOM 67 CG ARG A 25 28.265 20.228 12.787 1.00 24.02 C ATOM 68 CD ARG A 25 29.012 19.152 12.008 1.00 23.94 C ATOM 69 NE ARG A 25 30.275 18.971 12.631 1.00 24.97 N ATOM 70 CZ ARG A 25 31.134 18.054 12.258 1.00 24.99 C ATOM 71 NH1 ARG A 25 30.839 17.245 11.227 1.00 24.37 N ATOM 72 NH2 ARG A 25 32.250 17.956 12.906 1.00 26.69 N ATOM 73 HE ARG A 25 30.531 19.596 13.422 1.00 0.00 H ATOM 74 HH12 ARG A 25 31.517 16.516 10.927 1.00 0.00 H ATOM 75 HH11 ARG A 25 29.932 17.348 10.728 1.00 0.00 H ATOM 76 HH22 ARG A 25 32.950 17.237 12.631 1.00 0.00 H ATOM 77 HH21 ARG A 25 32.447 18.596 13.702 1.00 0.00 H ATOM 78 H ARG A 25 24.956 21.531 11.039 1.00 0.00 H ATOM 79 N GLN A 26 27.102 23.903 12.101 1.00 24.75 N ATOM 80 CA GLN A 26 27.927 25.096 12.223 1.00 28.69 C ATOM 81 C GLN A 26 27.381 26.188 13.121 1.00 27.33 C ATOM 82 O GLN A 26 28.168 26.906 13.723 1.00 28.40 O ATOM 83 CB GLN A 26 28.219 25.670 10.840 1.00 31.92 C ATOM 84 CG GLN A 26 29.020 24.718 9.990 1.00 36.58 C ATOM 85 CD GLN A 26 30.301 24.228 10.685 1.00 43.87 C ATOM 86 OE1 GLN A 26 30.489 23.028 10.880 1.00 49.69 O ATOM 87 NE2 GLN A 26 31.181 25.154 11.063 1.00 45.84 N ATOM 88 HE22 GLN A 26 30.988 26.160 10.881 1.00 0.00 H ATOM 89 HE21 GLN A 26 32.061 24.871 11.540 1.00 0.00 H ATOM 90 H GLN A 26 26.542 23.764 11.236 1.00 0.00 H ATOM 91 N CYS A 27 26.067 26.317 13.221 1.00 24.56 N ATOM 92 CA CYS A 27 25.502 27.428 13.986 1.00 24.13 C ATOM 93 C CYS A 27 24.322 27.114 14.864 1.00 23.75 C ATOM 94 O CYS A 27 23.984 27.925 15.725 1.00 25.28 O ATOM 95 CB CYS A 27 25.132 28.562 13.019 1.00 24.37 C ATOM 96 SG CYS A 27 23.650 28.160 12.042 1.00 22.55 S ATOM 97 H CYS A 27 25.439 25.630 12.757 1.00 0.00 H ATOM 98 N GLY A 28 23.690 25.956 14.677 1.00 22.03 N ATOM 99 CA GLY A 28 22.534 25.565 15.486 1.00 21.94 C ATOM 100 C GLY A 28 21.156 25.881 14.976 1.00 21.62 C ATOM 101 O GLY A 28 20.155 25.545 15.587 1.00 20.69 O ATOM 102 H GLY A 28 24.028 25.311 13.935 1.00 0.00 H ATOM 103 N GLN A 29 21.076 26.484 13.798 1.00 21.19 N ATOM 104 CA GLN A 29 19.790 26.715 13.150 1.00 21.77 C ATOM 105 C GLN A 29 18.980 25.423 13.040 1.00 21.60 C ATOM 106 O GLN A 29 19.503 24.387 12.623 1.00 20.87 O ATOM 107 CB GLN A 29 20.020 27.292 11.754 1.00 21.49 C ATOM 108 CG GLN A 29 18.797 27.412 10.841 1.00 21.57 C ATOM 109 CD GLN A 29 18.164 28.751 10.936 1.00 23.03 C ATOM 110 OE1 GLN A 29 17.986 29.288 12.023 1.00 25.14 O ATOM 111 NE2 GLN A 29 17.895 29.347 9.794 1.00 22.89 N ATOM 112 HE22 GLN A 29 18.063 28.850 8.896 1.00 0.00 H ATOM 113 HE21 GLN A 29 17.514 30.315 9.790 1.00 0.00 H ATOM 114 H GLN A 29 21.948 26.799 13.326 1.00 0.00 H ATOM 115 N THR A 30 17.708 25.488 13.404 1.00 21.04 N ATOM 116 CA THR A 30 16.795 24.350 13.249 1.00 23.29 C ATOM 117 C THR A 30 16.515 24.058 11.792 1.00 21.36 C ATOM 118 O THR A 30 16.112 24.957 11.083 1.00 21.53 O ATOM 119 CB THR A 30 15.465 24.642 13.953 1.00 27.50 C ATOM 120 OG1 THR A 30 15.737 25.124 15.270 1.00 37.75 O ATOM 121 CG2 THR A 30 14.643 23.407 14.070 1.00 27.95 C ATOM 122 HG1 THR A 30 14.883 25.316 15.733 1.00 0.00 H ATOM 123 H THR A 30 17.345 26.373 13.812 1.00 0.00 H ATOM 124 N ILE A 31 16.710 22.803 11.364 1.00 20.26 N ATOM 125 CA ILE A 31 16.603 22.444 9.958 1.00 20.48 C ATOM 126 C ILE A 31 15.521 21.372 9.674 1.00 22.39 C ATOM 127 O ILE A 31 14.671 21.587 8.836 1.00 22.64 O ATOM 128 CB ILE A 31 17.934 21.993 9.342 1.00 19.50 C ATOM 129 CG1 ILE A 31 19.017 23.059 9.534 1.00 19.82 C ATOM 130 CG2 ILE A 31 17.738 21.651 7.848 1.00 20.69 C ATOM 131 CD1 ILE A 31 18.765 24.377 8.806 1.00 19.85 C ATOM 132 H ILE A 31 16.945 22.064 12.057 1.00 0.00 H ATOM 133 N SER A 32 15.550 20.237 10.377 1.00 21.71 N ATOM 134 CA SER A 32 14.607 19.190 10.100 1.00 23.52 C ATOM 135 C SER A 32 14.401 18.298 11.317 1.00 25.08 C ATOM 136 O SER A 32 14.823 18.641 12.436 1.00 22.91 O ATOM 137 CB SER A 32 15.034 18.421 8.837 1.00 22.67 C ATOM 138 OG SER A 32 13.942 17.739 8.305 1.00 26.78 O ATOM 139 HG SER A 32 13.232 18.388 8.069 1.00 0.00 H ATOM 140 H SER A 32 16.258 20.111 11.128 1.00 0.00 H ATOM 141 N ARG A 33 13.671 17.192 11.124 1.00 27.37 N ATOM 142 CA ARG A 33 13.314 16.297 12.215 1.00 29.59 C ATOM 143 C ARG A 33 13.494 14.871 11.742 1.00 29.42 C ATOM 144 O ARG A 33 13.243 14.588 10.567 1.00 28.66 O ATOM 145 CB ARG A 33 11.836 16.464 12.587 1.00 33.75 C ATOM 146 CG ARG A 33 11.367 17.881 12.867 1.00 36.86 C ATOM 147 CD ARG A 33 9.911 17.854 13.329 1.00 40.90 C ATOM 148 NE ARG A 33 9.833 17.531 14.742 1.00 44.62 N ATOM 149 CZ ARG A 33 10.022 18.377 15.757 1.00 49.25 C ATOM 150 NH1 ARG A 33 10.345 19.647 15.549 1.00 54.72 N ATOM 151 NH2 ARG A 33 9.900 17.941 16.998 1.00 50.29 N ATOM 152 HE ARG A 33 9.608 16.546 14.987 1.00 0.00 H ATOM 153 HH12 ARG A 33 10.487 20.286 16.357 1.00 0.00 H ATOM 154 HH11 ARG A 33 10.456 20.003 14.578 1.00 0.00 H ATOM 155 HH22 ARG A 33 10.045 18.593 17.795 1.00 0.00 H ATOM 156 HH21 ARG A 33 9.658 16.946 17.178 1.00 0.00 H ATOM 157 H ARG A 33 13.348 16.965 10.162 1.00 0.00 H ATOM 158 N ARG A 34 13.776 13.965 12.671 1.00 29.75 N ATOM 159 CA ARG A 34 13.846 12.547 12.354 1.00 31.84 C ATOM 160 C ARG A 34 12.501 12.017 11.808 1.00 32.04 C ATOM 161 O ARG A 34 12.477 11.192 10.899 1.00 31.02 O ATOM 162 CB ARG A 34 14.250 11.760 13.599 1.00 34.71 C ATOM 163 CG ARG A 34 14.292 10.262 13.377 1.00 38.82 C ATOM 164 CD ARG A 34 15.214 9.553 14.366 1.00 42.66 C ATOM 165 NE ARG A 34 16.623 9.833 14.071 1.00 42.68 N ATOM 166 CZ ARG A 34 17.390 9.163 13.213 1.00 43.67 C ATOM 167 NH1 ARG A 34 16.919 8.134 12.519 1.00 46.46 N ATOM 168 NH2 ARG A 34 18.645 9.535 13.038 1.00 42.48 N ATOM 169 HE ARG A 34 17.063 10.627 14.578 1.00 0.00 H ATOM 170 HH12 ARG A 34 17.539 7.627 11.855 1.00 0.00 H ATOM 171 HH11 ARG A 34 15.930 7.835 12.639 1.00 0.00 H ATOM 172 HH22 ARG A 34 19.252 9.018 12.370 1.00 0.00 H ATOM 173 HH21 ARG A 34 19.026 10.345 13.568 1.00 0.00 H ATOM 174 H ARG A 34 13.951 14.276 13.648 1.00 0.00 H ATOM 175 N ASP A 35 11.388 12.537 12.329 1.00 33.26 N ATOM 176 CA ASP A 35 10.036 12.168 11.863 1.00 35.61 C ATOM 177 C ASP A 35 9.813 12.490 10.395 1.00 34.08 C ATOM 178 O ASP A 35 8.896 11.931 9.789 1.00 35.41 O ATOM 179 CB ASP A 35 8.955 12.910 12.671 1.00 37.88 C ATOM 180 CG ASP A 35 8.841 12.425 14.088 1.00 42.07 C ATOM 181 OD1 ASP A 35 9.166 11.271 14.376 1.00 45.88 O ATOM 182 OD2 ASP A 35 8.402 13.202 14.939 1.00 45.79 O ATOM 183 H ASP A 35 11.476 13.233 13.097 1.00 0.00 H ATOM 184 N TRP A 36 10.613 13.399 9.834 1.00 30.84 N ATOM 185 CA TRP A 36 10.477 13.829 8.441 1.00 30.32 C ATOM 186 C TRP A 36 11.410 13.104 7.471 1.00 29.08 C ATOM 187 O TRP A 36 11.379 13.365 6.273 1.00 28.63 O ATOM 188 CB TRP A 36 10.674 15.331 8.294 1.00 27.84 C ATOM 189 CG TRP A 36 9.681 16.141 9.076 1.00 29.85 C ATOM 190 CD1 TRP A 36 8.503 15.717 9.589 1.00 32.18 C ATOM 191 CD2 TRP A 36 9.765 17.524 9.371 1.00 29.93 C ATOM 192 NE1 TRP A 36 7.843 16.754 10.221 1.00 33.95 N ATOM 193 CE2 TRP A 36 8.605 17.879 10.102 1.00 32.79 C ATOM 194 CE3 TRP A 36 10.713 18.500 9.104 1.00 31.01 C ATOM 195 CZ2 TRP A 36 8.377 19.187 10.578 1.00 33.64 C ATOM 196 CZ3 TRP A 36 10.485 19.801 9.542 1.00 31.26 C ATOM 197 CH2 TRP A 36 9.323 20.128 10.286 1.00 33.04 C ATOM 198 HE1 TRP A 36 6.924 16.688 10.704 1.00 0.00 H ATOM 199 H TRP A 36 11.367 13.821 10.412 1.00 0.00 H ATOM 200 N LEU A 37 12.164 12.136 7.965 1.00 30.94 N ATOM 201 CA LEU A 37 13.013 11.336 7.094 1.00 31.97 C ATOM 202 C LEU A 37 12.175 10.638 6.028 1.00 34.67 C ATOM 203 O LEU A 37 11.086 10.168 6.299 1.00 35.81 O ATOM 204 CB LEU A 37 13.818 10.318 7.900 1.00 33.74 C ATOM 205 CG LEU A 37 15.064 10.844 8.603 1.00 31.08 C ATOM 206 CD1 LEU A 37 15.595 9.846 9.620 1.00 33.22 C ATOM 207 CD2 LEU A 37 16.129 11.157 7.557 1.00 32.03 C ATOM 208 H LEU A 37 12.150 11.944 8.987 1.00 0.00 H ATOM 209 N LEU A 38 12.705 10.561 4.813 1.00 34.32 N ATOM 210 CA LEU A 38 11.957 10.026 3.661 1.00 38.42 C ATOM 211 C LEU A 38 12.724 8.915 2.922 1.00 41.05 C ATOM 212 O LEU A 38 13.731 9.185 2.270 1.00 39.57 O ATOM 213 CB LEU A 38 11.658 11.164 2.682 1.00 37.80 C ATOM 214 CG LEU A 38 11.094 10.847 1.288 1.00 40.51 C ATOM 215 CD1 LEU A 38 9.660 10.347 1.415 1.00 42.66 C ATOM 216 CD2 LEU A 38 11.168 12.090 0.405 1.00 41.15 C ATOM 217 H LEU A 38 13.681 10.889 4.669 1.00 0.00 H ATOM 218 N PRO A 39 12.244 7.665 2.994 1.00 48.47 N ATOM 219 CA PRO A 39 12.941 6.594 2.253 1.00 52.26 C ATOM 220 C PRO A 39 12.691 6.633 0.719 1.00 54.17 C ATOM 221 O PRO A 39 11.812 5.946 0.215 1.00 63.06 O ATOM 222 CB PRO A 39 12.384 5.321 2.902 1.00 54.81 C ATOM 223 CG PRO A 39 10.997 5.708 3.284 1.00 55.32 C ATOM 224 CD PRO A 39 11.116 7.136 3.775 1.00 51.75 C ATOM 225 N MET A 40 13.457 7.457 0.007 1.00 55.38 N ATOM 226 CA MET A 40 13.441 7.506 -1.477 1.00 56.14 C ATOM 227 C MET A 40 14.094 6.260 -2.037 1.00 59.36 C ATOM 228 O MET A 40 15.247 5.985 -1.737 1.00 59.21 O ATOM 229 CB MET A 40 14.232 8.718 -2.022 1.00 54.65 C ATOM 230 CG MET A 40 13.529 10.077 -1.949 1.00 55.50 C ATOM 231 SD MET A 40 12.092 10.268 -3.012 1.00 57.68 S ATOM 232 CE MET A 40 12.758 9.758 -4.592 1.00 55.30 C ATOM 233 H MET A 40 14.099 8.098 0.516 1.00 0.00 H ATOM 234 N GLY A 41 13.380 5.528 -2.883 1.00 60.79 N ATOM 235 CA GLY A 41 13.902 4.292 -3.442 1.00 63.61 C ATOM 236 C GLY A 41 14.221 3.207 -2.420 1.00 64.56 C ATOM 237 O GLY A 41 15.031 2.332 -2.697 1.00 65.11 O ATOM 238 H GLY A 41 12.427 5.845 -3.152 1.00 0.00 H ATOM 239 N GLY A 42 13.590 3.251 -1.244 1.00 63.40 N ATOM 240 CA GLY A 42 13.816 2.235 -0.207 1.00 63.57 C ATOM 241 C GLY A 42 14.669 2.657 0.983 1.00 61.45 C ATOM 242 O GLY A 42 14.613 2.027 2.034 1.00 62.51 O ATOM 243 H GLY A 42 12.921 4.025 -1.057 1.00 0.00 H ATOM 244 N ASP A 43 15.468 3.711 0.830 1.00 58.25 N ATOM 245 CA ASP A 43 16.429 4.112 1.873 1.00 57.32 C ATOM 246 C ASP A 43 16.408 5.623 2.015 1.00 51.08 C ATOM 247 O ASP A 43 16.377 6.332 1.018 1.00 50.62 O ATOM 248 CB ASP A 43 17.850 3.672 1.473 1.00 59.10 C ATOM 249 CG ASP A 43 18.794 3.477 2.675 1.00 60.95 C ATOM 250 OD1 ASP A 43 18.621 4.135 3.729 1.00 57.49 O ATOM 251 OD2 ASP A 43 19.733 2.650 2.542 1.00 61.73 O ATOM 252 H ASP A 43 15.413 4.266 -0.048 1.00 0.00 H ATOM 253 N HIS A 44 16.455 6.135 3.243 1.00 49.28 N ATOM 254 CA HIS A 44 16.606 7.582 3.407 1.00 46.23 C ATOM 255 C HIS A 44 18.058 7.994 3.136 1.00 41.60 C ATOM 256 O HIS A 44 18.299 9.144 2.846 1.00 39.35 O ATOM 257 CB HIS A 44 16.089 8.100 4.770 1.00 46.55 C ATOM 258 CG HIS A 44 16.832 7.577 5.957 1.00 49.23 C ATOM 259 ND1 HIS A 44 16.301 6.635 6.809 1.00 56.72 N ATOM 260 CD2 HIS A 44 18.055 7.882 6.454 1.00 50.63 C ATOM 261 CE1 HIS A 44 17.172 6.366 7.768 1.00 57.27 C ATOM 262 NE2 HIS A 44 18.244 7.112 7.575 1.00 53.75 N ATOM 263 H HIS A 44 16.385 5.515 4.075 1.00 0.00 H ATOM 264 N GLU A 45 19.008 7.057 3.223 1.00 40.95 N ATOM 265 CA GLU A 45 20.415 7.363 2.950 1.00 40.34 C ATOM 266 C GLU A 45 20.855 7.029 1.527 1.00 42.12 C ATOM 267 O GLU A 45 20.648 5.897 1.075 1.00 41.70 O ATOM 268 CB GLU A 45 21.328 6.629 3.910 1.00 42.46 C ATOM 269 CG GLU A 45 22.782 6.952 3.662 1.00 44.04 C ATOM 270 CD GLU A 45 23.627 6.445 4.792 1.00 47.58 C ATOM 271 OE1 GLU A 45 23.784 7.139 5.835 1.00 48.36 O ATOM 272 OE2 GLU A 45 24.117 5.309 4.639 1.00 53.64 O ATOM 273 H GLU A 45 18.742 6.088 3.491 1.00 0.00 H ATOM 274 N HIS A 46 21.450 8.016 0.847 1.00 38.79 N ATOM 275 CA HIS A 46 22.058 7.838 -0.474 1.00 39.01 C ATOM 276 C HIS A 46 23.462 8.432 -0.566 1.00 37.21 C ATOM 277 O HIS A 46 23.690 9.612 -0.249 1.00 34.71 O ATOM 278 CB HIS A 46 21.177 8.523 -1.481 1.00 40.35 C ATOM 279 CG HIS A 46 19.801 7.945 -1.545 1.00 46.24 C ATOM 280 ND1 HIS A 46 19.391 7.099 -2.554 1.00 50.99 N ATOM 281 CD2 HIS A 46 18.747 8.055 -0.696 1.00 48.67 C ATOM 282 CE1 HIS A 46 18.143 6.722 -2.332 1.00 50.56 C ATOM 283 NE2 HIS A 46 17.733 7.277 -1.205 1.00 49.86 N ATOM 284 H HIS A 46 21.483 8.961 1.280 1.00 0.00 H ATOM 285 N VAL A 47 24.419 7.625 -0.974 1.00 36.35 N ATOM 286 CA VAL A 47 25.800 8.100 -1.076 1.00 37.01 C ATOM 287 C VAL A 47 26.124 8.415 -2.529 1.00 35.11 C ATOM 288 O VAL A 47 26.038 7.561 -3.384 1.00 36.75 O ATOM 289 CB VAL A 47 26.793 7.095 -0.485 1.00 42.60 C ATOM 290 CG1 VAL A 47 28.216 7.656 -0.528 1.00 43.31 C ATOM 291 CG2 VAL A 47 26.413 6.763 0.960 1.00 43.69 C ATOM 292 H VAL A 47 24.192 6.642 -1.226 1.00 0.00 H ATOM 293 N VAL A 48 26.527 9.645 -2.771 1.00 33.26 N ATOM 294 CA VAL A 48 26.654 10.183 -4.117 1.00 34.32 C ATOM 295 C VAL A 48 27.953 10.973 -4.276 1.00 33.86 C ATOM 296 O VAL A 48 28.553 11.379 -3.272 1.00 32.33 O ATOM 297 CB VAL A 48 25.450 11.067 -4.446 1.00 32.55 C ATOM 298 CG1 VAL A 48 24.188 10.224 -4.418 1.00 33.89 C ATOM 299 CG2 VAL A 48 25.303 12.206 -3.460 1.00 31.68 C ATOM 300 H VAL A 48 26.765 10.258 -1.965 1.00 0.00 H ATOM 301 N PHE A 49 28.376 11.168 -5.524 1.00 33.63 N ATOM 302 CA PHE A 49 29.461 12.074 -5.845 1.00 35.88 C ATOM 303 C PHE A 49 29.068 13.085 -6.872 1.00 36.06 C ATOM 304 O PHE A 49 28.341 12.777 -7.833 1.00 33.39 O ATOM 305 CB PHE A 49 30.674 11.370 -6.468 1.00 42.77 C ATOM 306 CG PHE A 49 31.179 10.223 -5.683 1.00 47.95 C ATOM 307 CD1 PHE A 49 30.642 8.969 -5.867 1.00 51.49 C ATOM 308 CD2 PHE A 49 32.250 10.383 -4.785 1.00 51.33 C ATOM 309 CE1 PHE A 49 31.134 7.896 -5.148 1.00 54.85 C ATOM 310 CE2 PHE A 49 32.727 9.313 -4.048 1.00 53.31 C ATOM 311 CZ PHE A 49 32.168 8.062 -4.236 1.00 55.59 C ATOM 312 H PHE A 49 27.910 10.651 -6.297 1.00 0.00 H ATOM 313 N ASN A 50 29.640 14.265 -6.730 1.00 35.98 N ATOM 314 CA ASN A 50 29.524 15.295 -7.764 1.00 37.67 C ATOM 315 C ASN A 50 30.670 15.237 -8.778 1.00 40.25 C ATOM 316 O ASN A 50 31.582 14.414 -8.658 1.00 39.90 O ATOM 317 CB ASN A 50 29.333 16.674 -7.076 1.00 36.04 C ATOM 318 CG ASN A 50 30.583 17.176 -6.366 1.00 35.95 C ATOM 319 OD1 ASN A 50 31.681 16.593 -6.461 1.00 36.89 O ATOM 320 ND2 ASN A 50 30.431 18.279 -5.697 1.00 32.98 N ATOM 321 HD22 ASN A 50 29.496 18.731 -5.645 1.00 0.00 H ATOM 322 HD21 ASN A 50 31.245 18.710 -5.214 1.00 0.00 H ATOM 323 H ASN A 50 30.184 14.468 -5.867 1.00 0.00 H ATOM 324 N PRO A 51 30.612 16.071 -9.837 1.00 43.18 N ATOM 325 CA PRO A 51 31.689 16.004 -10.824 1.00 45.18 C ATOM 326 C PRO A 51 33.090 16.360 -10.301 1.00 45.06 C ATOM 327 O PRO A 51 34.061 15.965 -10.913 1.00 48.97 O ATOM 328 CB PRO A 51 31.242 16.999 -11.901 1.00 46.85 C ATOM 329 CG PRO A 51 29.763 17.055 -11.768 1.00 43.92 C ATOM 330 CD PRO A 51 29.487 16.911 -10.303 1.00 42.73 C ATOM 331 N ALA A 52 33.183 17.093 -9.200 1.00 42.47 N ATOM 332 CA ALA A 52 34.462 17.364 -8.523 1.00 43.30 C ATOM 333 C ALA A 52 34.951 16.192 -7.648 1.00 42.79 C ATOM 334 O ALA A 52 35.974 16.300 -6.955 1.00 42.71 O ATOM 335 CB ALA A 52 34.339 18.634 -7.681 1.00 41.45 C ATOM 336 H ALA A 52 32.313 17.495 -8.796 1.00 0.00 H ATOM 337 N GLY A 53 34.194 15.107 -7.633 1.00 40.91 N ATOM 338 CA GLY A 53 34.568 13.906 -6.931 1.00 41.46 C ATOM 339 C GLY A 53 34.331 13.948 -5.431 1.00 39.25 C ATOM 340 O GLY A 53 34.752 13.044 -4.712 1.00 39.40 O ATOM 341 H GLY A 53 33.291 15.122 -8.149 1.00 0.00 H ATOM 342 N MET A 54 33.673 14.983 -4.939 1.00 38.18 N ATOM 343 CA MET A 54 33.268 15.017 -3.538 1.00 38.81 C ATOM 344 C MET A 54 32.162 14.001 -3.287 1.00 38.01 C ATOM 345 O MET A 54 31.199 13.924 -4.078 1.00 34.89 O ATOM 346 CB MET A 54 32.748 16.396 -3.153 1.00 40.87 C ATOM 347 CG MET A 54 33.762 17.486 -3.394 1.00 46.34 C ATOM 348 SD MET A 54 33.011 19.089 -3.104 1.00 53.63 S ATOM 349 CE MET A 54 32.761 18.981 -1.329 1.00 49.36 C ATOM 350 H MET A 54 33.441 15.785 -5.559 1.00 0.00 H ATOM 351 N ILE A 55 32.331 13.212 -2.230 1.00 36.55 N ATOM 352 CA ILE A 55 31.358 12.252 -1.794 1.00 37.97 C ATOM 353 C ILE A 55 30.455 12.939 -0.786 1.00 36.22 C ATOM 354 O ILE A 55 30.912 13.730 0.068 1.00 34.50 O ATOM 355 CB ILE A 55 32.003 10.970 -1.187 1.00 41.54 C ATOM 356 CG1 ILE A 55 30.966 9.870 -1.030 1.00 41.95 C ATOM 357 CG2 ILE A 55 32.635 11.237 0.184 1.00 45.21 C ATOM 358 CD1 ILE A 55 31.553 8.507 -0.758 1.00 46.36 C ATOM 359 H ILE A 55 33.216 13.295 -1.690 1.00 0.00 H ATOM 360 N PHE A 56 29.165 12.709 -0.920 1.00 34.07 N ATOM 361 CA PHE A 56 28.184 13.172 0.068 1.00 31.99 C ATOM 362 C PHE A 56 27.319 12.009 0.501 1.00 33.27 C ATOM 363 O PHE A 56 26.873 11.187 -0.318 1.00 32.90 O ATOM 364 CB PHE A 56 27.287 14.256 -0.500 1.00 30.54 C ATOM 365 CG PHE A 56 28.030 15.454 -1.031 1.00 32.21 C ATOM 366 CD1 PHE A 56 28.463 16.451 -0.188 1.00 31.61 C ATOM 367 CD2 PHE A 56 28.318 15.565 -2.370 1.00 32.78 C ATOM 368 CE1 PHE A 56 29.150 17.540 -0.677 1.00 33.21 C ATOM 369 CE2 PHE A 56 29.009 16.653 -2.863 1.00 34.70 C ATOM 370 CZ PHE A 56 29.411 17.656 -2.022 1.00 33.49 C ATOM 371 H PHE A 56 28.831 12.183 -1.752 1.00 0.00 H ATOM 372 N ARG A 57 27.097 11.924 1.802 1.00 34.17 N ATOM 373 CA ARG A 57 26.127 10.987 2.354 1.00 35.86 C ATOM 374 C ARG A 57 24.865 11.802 2.597 1.00 31.12 C ATOM 375 O ARG A 57 24.827 12.653 3.500 1.00 28.59 O ATOM 376 CB ARG A 57 26.694 10.391 3.630 1.00 41.78 C ATOM 377 CG ARG A 57 25.806 9.380 4.342 1.00 49.32 C ATOM 378 CD ARG A 57 26.086 9.294 5.863 1.00 54.71 C ATOM 379 NE ARG A 57 27.382 8.728 6.259 1.00 58.99 N ATOM 380 CZ ARG A 57 27.658 7.429 6.253 1.00 66.13 C ATOM 381 NH1 ARG A 57 26.761 6.555 5.807 1.00 70.46 N ATOM 382 NH2 ARG A 57 28.844 7.001 6.661 1.00 68.16 N ATOM 383 HE ARG A 57 28.129 9.385 6.563 1.00 0.00 H ATOM 384 HH12 ARG A 57 26.982 5.539 5.804 1.00 0.00 H ATOM 385 HH11 ARG A 57 25.838 6.888 5.461 1.00 0.00 H ATOM 386 HH22 ARG A 57 29.060 5.984 6.656 1.00 0.00 H ATOM 387 HH21 ARG A 57 29.559 7.683 6.986 1.00 0.00 H ATOM 388 H ARG A 57 27.629 12.542 2.448 1.00 0.00 H ATOM 389 N VAL A 58 23.888 11.614 1.709 1.00 29.80 N ATOM 390 CA VAL A 58 22.683 12.392 1.655 1.00 27.09 C ATOM 391 C VAL A 58 21.551 11.627 2.350 1.00 27.36 C ATOM 392 O VAL A 58 21.332 10.435 2.105 1.00 27.00 O ATOM 393 CB VAL A 58 22.298 12.734 0.206 1.00 28.00 C ATOM 394 CG1 VAL A 58 20.937 13.392 0.136 1.00 27.50 C ATOM 395 CG2 VAL A 58 23.323 13.688 -0.382 1.00 29.62 C ATOM 396 H VAL A 58 24.007 10.854 1.010 1.00 0.00 H ATOM 397 N TRP A 59 20.893 12.326 3.268 1.00 25.29 N ATOM 398 CA TRP A 59 19.671 11.852 3.890 1.00 26.20 C ATOM 399 C TRP A 59 18.512 12.633 3.269 1.00 25.12 C ATOM 400 O TRP A 59 18.540 13.873 3.200 1.00 22.68 O ATOM 401 CB TRP A 59 19.736 12.034 5.414 1.00 26.23 C ATOM 402 CG TRP A 59 20.506 10.986 6.066 1.00 30.97 C ATOM 403 CD1 TRP A 59 21.409 10.123 5.458 1.00 34.70 C ATOM 404 CD2 TRP A 59 20.503 10.640 7.442 1.00 35.64 C ATOM 405 NE1 TRP A 59 21.930 9.258 6.376 1.00 37.89 N ATOM 406 CE2 TRP A 59 21.386 9.544 7.602 1.00 38.60 C ATOM 407 CE3 TRP A 59 19.809 11.112 8.554 1.00 39.79 C ATOM 408 CZ2 TRP A 59 21.605 8.930 8.831 1.00 44.20 C ATOM 409 CZ3 TRP A 59 20.026 10.497 9.785 1.00 42.82 C ATOM 410 CH2 TRP A 59 20.915 9.412 9.910 1.00 46.07 C ATOM 411 HE1 TRP A 59 22.623 8.508 6.179 1.00 0.00 H ATOM 412 H TRP A 59 21.270 13.252 3.553 1.00 0.00 H ATOM 413 N CYS A 60 17.488 11.900 2.839 1.00 26.46 N ATOM 414 CA CYS A 60 16.304 12.495 2.253 1.00 26.68 C ATOM 415 C CYS A 60 15.243 12.804 3.314 1.00 26.09 C ATOM 416 O CYS A 60 14.938 11.975 4.172 1.00 26.96 O ATOM 417 CB CYS A 60 15.717 11.558 1.210 1.00 29.51 C ATOM 418 SG CYS A 60 16.893 11.309 -0.155 1.00 33.96 S ATOM 419 H CYS A 60 17.539 10.865 2.927 1.00 0.00 H ATOM 420 N PHE A 61 14.714 14.023 3.259 1.00 24.15 N ATOM 421 CA PHE A 61 13.689 14.465 4.178 1.00 24.26 C ATOM 422 C PHE A 61 12.512 14.952 3.337 1.00 24.36 C ATOM 423 O PHE A 61 12.707 15.606 2.300 1.00 25.32 O ATOM 424 CB PHE A 61 14.208 15.619 5.060 1.00 24.09 C ATOM 425 CG PHE A 61 15.247 15.236 6.055 1.00 24.91 C ATOM 426 CD1 PHE A 61 16.598 15.238 5.719 1.00 25.12 C ATOM 427 CD2 PHE A 61 14.904 14.904 7.370 1.00 25.69 C ATOM 428 CE1 PHE A 61 17.579 14.912 6.659 1.00 23.93 C ATOM 429 CE2 PHE A 61 15.885 14.585 8.303 1.00 26.84 C ATOM 430 CZ PHE A 61 17.220 14.596 7.952 1.00 25.46 C ATOM 431 H PHE A 61 15.050 14.682 2.528 1.00 0.00 H ATOM 432 N SER A 62 11.293 14.722 3.819 1.00 25.05 N ATOM 433 CA SER A 62 10.107 15.214 3.115 1.00 26.51 C ATOM 434 C SER A 62 10.001 16.737 3.289 1.00 26.66 C ATOM 435 O SER A 62 9.432 17.430 2.446 1.00 27.35 O ATOM 436 CB SER A 62 8.831 14.489 3.582 1.00 28.35 C ATOM 437 OG SER A 62 8.859 13.096 3.298 1.00 28.22 O ATOM 438 HG SER A 62 8.020 12.678 3.617 1.00 0.00 H ATOM 439 H SER A 62 11.182 14.188 4.704 1.00 0.00 H ATOM 440 N LEU A 63 10.542 17.241 4.393 1.00 26.14 N ATOM 441 CA LEU A 63 10.381 18.617 4.797 1.00 26.59 C ATOM 442 C LEU A 63 11.634 19.103 5.522 1.00 25.92 C ATOM 443 O LEU A 63 12.332 18.313 6.152 1.00 25.15 O ATOM 444 CB LEU A 63 9.203 18.578 5.750 1.00 29.86 C ATOM 445 CG LEU A 63 8.628 19.870 6.342 1.00 32.55 C ATOM 446 CD1 LEU A 63 8.388 20.843 5.212 1.00 34.46 C ATOM 447 CD2 LEU A 63 7.355 19.667 7.152 1.00 34.48 C ATOM 448 H LEU A 63 11.110 16.612 4.996 1.00 0.00 H ATOM 449 N ALA A 64 11.878 20.398 5.444 1.00 24.32 N ATOM 450 CA ALA A 64 12.921 21.086 6.167 1.00 25.19 C ATOM 451 C ALA A 64 12.544 22.534 6.271 1.00 24.55 C ATOM 452 O ALA A 64 11.641 23.003 5.585 1.00 27.82 O ATOM 453 CB ALA A 64 14.255 20.976 5.452 1.00 24.66 C ATOM 454 H ALA A 64 11.274 20.965 4.815 1.00 0.00 H ATOM 455 N GLN A 65 13.222 23.228 7.164 1.00 24.16 N ATOM 456 CA GLN A 65 13.042 24.638 7.380 1.00 24.87 C ATOM 457 C GLN A 65 14.398 25.281 7.661 1.00 23.46 C ATOM 458 O GLN A 65 15.403 24.591 7.852 1.00 21.33 O ATOM 459 CB GLN A 65 12.105 24.879 8.578 1.00 30.74 C ATOM 460 CG GLN A 65 12.649 24.319 9.894 1.00 32.79 C ATOM 461 CD GLN A 65 11.727 24.396 11.106 1.00 40.90 C ATOM 462 OE1 GLN A 65 11.097 23.414 11.521 1.00 45.92 O ATOM 463 NE2 GLN A 65 11.702 25.549 11.715 1.00 45.10 N ATOM 464 HE22 GLN A 65 12.245 26.350 11.334 1.00 0.00 H ATOM 465 HE21 GLN A 65 11.139 25.667 12.581 1.00 0.00 H ATOM 466 H GLN A 65 13.926 22.728 7.744 1.00 0.00 H ATOM 467 N GLY A 66 14.421 26.598 7.735 1.00 22.15 N ATOM 468 CA GLY A 66 15.615 27.365 8.142 1.00 23.58 C ATOM 469 C GLY A 66 16.710 27.407 7.081 1.00 23.83 C ATOM 470 O GLY A 66 17.822 27.815 7.361 1.00 27.62 O ATOM 471 H GLY A 66 13.555 27.122 7.495 1.00 0.00 H ATOM 472 N LEU A 67 16.393 26.956 5.885 1.00 23.89 N ATOM 473 CA LEU A 67 17.298 26.952 4.782 1.00 24.04 C ATOM 474 C LEU A 67 17.052 28.160 3.925 1.00 25.71 C ATOM 475 O LEU A 67 16.081 28.896 4.105 1.00 26.85 O ATOM 476 CB LEU A 67 17.121 25.679 3.928 1.00 22.23 C ATOM 477 CG LEU A 67 17.388 24.369 4.658 1.00 21.45 C ATOM 478 CD1 LEU A 67 16.737 23.206 3.919 1.00 22.70 C ATOM 479 CD2 LEU A 67 18.895 24.124 4.816 1.00 22.43 C ATOM 480 H LEU A 67 15.433 26.583 5.737 1.00 0.00 H ATOM 481 N ARG A 68 17.965 28.384 3.009 1.00 24.57 N ATOM 482 CA ARG A 68 17.797 29.383 1.991 1.00 27.92 C ATOM 483 C ARG A 68 18.156 28.707 0.675 1.00 28.44 C ATOM 484 O ARG A 68 19.277 28.219 0.525 1.00 24.66 O ATOM 485 CB ARG A 68 18.682 30.602 2.240 1.00 31.74 C ATOM 486 CG ARG A 68 18.494 31.721 1.247 1.00 39.27 C ATOM 487 CD ARG A 68 19.010 33.065 1.753 1.00 45.27 C ATOM 488 NE ARG A 68 20.424 32.964 2.092 1.00 47.46 N ATOM 489 CZ ARG A 68 21.421 33.156 1.237 1.00 51.67 C ATOM 490 NH1 ARG A 68 21.181 33.490 -0.028 1.00 56.57 N ATOM 491 NH2 ARG A 68 22.685 33.048 1.661 1.00 54.55 N ATOM 492 HE ARG A 68 20.669 32.724 3.074 1.00 0.00 H ATOM 493 HH12 ARG A 68 21.973 33.637 -0.686 1.00 0.00 H ATOM 494 HH11 ARG A 68 20.202 33.604 -0.359 1.00 0.00 H ATOM 495 HH22 ARG A 68 23.471 33.197 0.996 1.00 0.00 H ATOM 496 HH21 ARG A 68 22.882 32.815 2.655 1.00 0.00 H ATOM 497 H ARG A 68 18.839 27.820 3.021 1.00 0.00 H ATOM 498 N LEU A 69 17.175 28.634 -0.238 1.00 28.71 N ATOM 499 CA LEU A 69 17.362 27.963 -1.550 1.00 32.09 C ATOM 500 C LEU A 69 17.873 28.938 -2.570 1.00 34.34 C ATOM 501 O LEU A 69 17.316 30.028 -2.698 1.00 38.12 O ATOM 502 CB LEU A 69 16.056 27.321 -2.030 1.00 33.20 C ATOM 503 CG LEU A 69 15.393 26.405 -0.987 1.00 32.97 C ATOM 504 CD1 LEU A 69 14.190 25.720 -1.595 1.00 35.64 C ATOM 505 CD2 LEU A 69 16.387 25.397 -0.434 1.00 32.40 C ATOM 506 H LEU A 69 16.253 29.062 -0.019 1.00 0.00 H ATOM 507 N ILE A 70 18.973 28.600 -3.241 1.00 36.33 N ATOM 508 CA ILE A 70 19.688 29.557 -4.088 1.00 38.93 C ATOM 509 C ILE A 70 19.485 29.273 -5.557 1.00 39.48 C ATOM 510 O ILE A 70 19.571 28.131 -5.961 1.00 34.88 O ATOM 511 CB ILE A 70 21.200 29.520 -3.844 1.00 42.08 C ATOM 512 CG1 ILE A 70 21.496 29.739 -2.367 1.00 42.21 C ATOM 513 CG2 ILE A 70 21.902 30.593 -4.697 1.00 45.85 C ATOM 514 CD1 ILE A 70 20.907 31.010 -1.813 1.00 43.49 C ATOM 515 H ILE A 70 19.335 27.628 -3.161 1.00 0.00 H ATOM 516 N GLY A 71 19.211 30.324 -6.341 1.00 40.59 N ATOM 517 CA GLY A 71 19.121 30.189 -7.792 1.00 42.76 C ATOM 518 C GLY A 71 17.834 29.513 -8.204 1.00 44.21 C ATOM 519 O GLY A 71 16.924 29.293 -7.394 1.00 43.34 O ATOM 520 H GLY A 71 19.059 31.257 -5.907 1.00 0.00 H ATOM 521 N ALA A 72 17.775 29.152 -9.472 1.00 45.50 N ATOM 522 CA ALA A 72 16.646 28.456 -10.025 1.00 44.17 C ATOM 523 C ALA A 72 17.007 26.973 -10.155 1.00 40.50 C ATOM 524 O ALA A 72 18.179 26.629 -10.291 1.00 41.26 O ATOM 525 CB ALA A 72 16.294 29.046 -11.379 1.00 46.63 C ATOM 526 H ALA A 72 18.576 29.380 -10.095 1.00 0.00 H ATOM 527 N PRO A 73 16.001 26.102 -10.179 1.00 37.12 N ATOM 528 CA PRO A 73 16.306 24.678 -10.326 1.00 34.27 C ATOM 529 C PRO A 73 17.091 24.285 -11.573 1.00 33.63 C ATOM 530 O PRO A 73 16.931 24.896 -12.637 1.00 36.06 O ATOM 531 CB PRO A 73 14.922 24.023 -10.328 1.00 35.01 C ATOM 532 CG PRO A 73 13.996 25.053 -9.749 1.00 35.95 C ATOM 533 CD PRO A 73 14.546 26.368 -10.196 1.00 38.29 C ATOM 534 N SER A 74 17.901 23.238 -11.448 1.00 31.96 N ATOM 535 CA SER A 74 18.676 22.683 -12.555 1.00 33.56 C ATOM 536 C SER A 74 18.507 21.173 -12.568 1.00 32.80 C ATOM 537 O SER A 74 18.488 20.543 -11.517 1.00 30.49 O ATOM 538 CB SER A 74 20.176 23.021 -12.398 1.00 34.15 C ATOM 539 OG SER A 74 20.938 22.365 -13.432 1.00 37.04 O ATOM 540 HG SER A 74 21.897 22.586 -13.324 1.00 0.00 H ATOM 541 H SER A 74 17.987 22.791 -10.513 1.00 0.00 H ATOM 542 N GLY A 75 18.388 20.599 -13.750 1.00 33.35 N ATOM 543 CA GLY A 75 18.451 19.160 -13.925 1.00 35.67 C ATOM 544 C GLY A 75 19.845 18.556 -14.087 1.00 37.51 C ATOM 545 O GLY A 75 19.992 17.364 -14.090 1.00 36.01 O ATOM 546 H GLY A 75 18.244 21.200 -14.587 1.00 0.00 H ATOM 547 N GLU A 76 20.883 19.371 -14.238 1.00 42.21 N ATOM 548 CA GLU A 76 22.205 18.842 -14.626 1.00 46.12 C ATOM 549 C GLU A 76 22.771 17.939 -13.549 1.00 42.75 C ATOM 550 O GLU A 76 22.853 18.339 -12.397 1.00 38.13 O ATOM 551 CB GLU A 76 23.190 19.986 -14.834 1.00 51.17 C ATOM 552 CG GLU A 76 22.839 20.867 -16.012 1.00 57.62 C ATOM 553 CD GLU A 76 24.059 21.507 -16.633 1.00 66.83 C ATOM 554 OE1 GLU A 76 25.115 21.571 -15.955 1.00 71.99 O ATOM 555 OE2 GLU A 76 23.967 21.938 -17.800 1.00 74.00 O ATOM 556 H GLU A 76 20.763 20.392 -14.081 1.00 0.00 H ATOM 557 N PHE A 77 23.162 16.725 -13.928 1.00 43.23 N ATOM 558 CA PHE A 77 23.816 15.776 -13.017 1.00 41.97 C ATOM 559 C PHE A 77 22.970 15.477 -11.767 1.00 37.27 C ATOM 560 O PHE A 77 23.541 15.162 -10.721 1.00 37.11 O ATOM 561 CB PHE A 77 25.182 16.295 -12.518 1.00 45.57 C ATOM 562 CG PHE A 77 26.149 16.762 -13.591 1.00 50.87 C ATOM 563 CD1 PHE A 77 26.751 15.865 -14.454 1.00 54.81 C ATOM 564 CD2 PHE A 77 26.518 18.113 -13.665 1.00 54.04 C ATOM 565 CE1 PHE A 77 27.656 16.302 -15.412 1.00 59.22 C ATOM 566 CE2 PHE A 77 27.418 18.558 -14.624 1.00 56.18 C ATOM 567 CZ PHE A 77 27.988 17.649 -15.494 1.00 59.31 C ATOM 568 H PHE A 77 22.997 16.435 -14.913 1.00 0.00 H ATOM 569 N SER A 78 21.641 15.569 -11.848 1.00 32.95 N ATOM 570 CA SER A 78 20.776 15.252 -10.728 1.00 30.73 C ATOM 571 C SER A 78 20.979 13.819 -10.293 1.00 30.80 C ATOM 572 O SER A 78 20.997 12.913 -11.114 1.00 31.37 O ATOM 573 CB SER A 78 19.275 15.412 -11.052 1.00 29.15 C ATOM 574 OG SER A 78 18.501 15.194 -9.856 1.00 28.24 O ATOM 575 HG SER A 78 17.539 15.297 -10.064 1.00 0.00 H ATOM 576 H SER A 78 21.212 15.878 -12.743 1.00 0.00 H ATOM 577 N TRP A 79 21.060 13.631 -8.986 1.00 28.76 N ATOM 578 CA TRP A 79 21.212 12.306 -8.420 1.00 29.19 C ATOM 579 C TRP A 79 19.902 11.552 -8.296 1.00 30.24 C ATOM 580 O TRP A 79 19.910 10.373 -8.010 1.00 30.11 O ATOM 581 CB TRP A 79 21.816 12.428 -7.027 1.00 28.84 C ATOM 582 CG TRP A 79 23.254 12.860 -7.030 1.00 28.38 C ATOM 583 CD1 TRP A 79 24.260 12.395 -7.817 1.00 31.65 C ATOM 584 CD2 TRP A 79 23.818 13.864 -6.204 1.00 28.68 C ATOM 585 NE1 TRP A 79 25.444 13.062 -7.519 1.00 32.14 N ATOM 586 CE2 TRP A 79 25.189 13.955 -6.517 1.00 29.35 C ATOM 587 CE3 TRP A 79 23.301 14.689 -5.194 1.00 26.33 C ATOM 588 CZ2 TRP A 79 26.024 14.864 -5.884 1.00 29.70 C ATOM 589 CZ3 TRP A 79 24.122 15.564 -4.572 1.00 26.94 C ATOM 590 CH2 TRP A 79 25.472 15.653 -4.909 1.00 28.20 C ATOM 591 HE1 TRP A 79 26.364 12.908 -7.979 1.00 0.00 H ATOM 592 H TRP A 79 21.014 14.453 -8.350 1.00 0.00 H ATOM 593 N PHE A 80 18.774 12.237 -8.485 1.00 29.49 N ATOM 594 CA PHE A 80 17.474 11.611 -8.347 1.00 30.49 C ATOM 595 C PHE A 80 16.679 11.839 -9.621 1.00 31.19 C ATOM 596 O PHE A 80 16.407 12.985 -10.000 1.00 29.08 O ATOM 597 CB PHE A 80 16.747 12.217 -7.143 1.00 30.84 C ATOM 598 CG PHE A 80 17.475 12.012 -5.837 1.00 31.46 C ATOM 599 CD1 PHE A 80 17.303 10.834 -5.112 1.00 33.84 C ATOM 600 CD2 PHE A 80 18.314 12.954 -5.354 1.00 30.16 C ATOM 601 CE1 PHE A 80 17.933 10.656 -3.904 1.00 33.82 C ATOM 602 CE2 PHE A 80 18.979 12.759 -4.141 1.00 31.94 C ATOM 603 CZ PHE A 80 18.788 11.593 -3.426 1.00 31.66 C ATOM 604 H PHE A 80 18.828 13.244 -8.737 1.00 0.00 H ATOM 605 N LYS A 81 16.362 10.739 -10.294 1.00 33.50 N ATOM 606 CA LYS A 81 15.781 10.768 -11.613 1.00 35.83 C ATOM 607 C LYS A 81 14.456 11.506 -11.605 1.00 35.44 C ATOM 608 O LYS A 81 13.619 11.254 -10.763 1.00 33.03 O ATOM 609 CB LYS A 81 15.571 9.338 -12.095 1.00 41.22 C ATOM 610 CG LYS A 81 15.133 9.298 -13.524 1.00 46.82 C ATOM 611 CD LYS A 81 15.369 7.934 -14.102 1.00 51.49 C ATOM 612 CE LYS A 81 14.756 7.862 -15.491 1.00 56.04 C ATOM 613 NZ LYS A 81 15.082 9.054 -16.341 1.00 54.85 N ATOM 614 HZ1 LYS A 81 14.722 9.915 -15.882 1.00 0.00 H ATOM 615 HZ2 LYS A 81 16.113 9.126 -16.455 1.00 0.00 H ATOM 616 HZ3 LYS A 81 14.636 8.945 -17.274 1.00 0.00 H ATOM 617 H LYS A 81 16.541 9.816 -9.850 1.00 0.00 H ATOM 618 N GLY A 82 14.290 12.434 -12.548 1.00 35.68 N ATOM 619 CA GLY A 82 13.097 13.247 -12.647 1.00 34.26 C ATOM 620 C GLY A 82 13.042 14.496 -11.811 1.00 32.84 C ATOM 621 O GLY A 82 12.047 15.248 -11.903 1.00 32.06 O ATOM 622 H GLY A 82 15.051 12.580 -13.242 1.00 0.00 H ATOM 623 N TYR A 83 14.075 14.761 -10.986 1.00 30.46 N ATOM 624 CA TYR A 83 14.058 15.919 -10.124 1.00 29.16 C ATOM 625 C TYR A 83 15.099 16.897 -10.529 1.00 29.93 C ATOM 626 O TYR A 83 16.205 16.495 -10.909 1.00 31.60 O ATOM 627 CB TYR A 83 14.278 15.545 -8.644 1.00 28.26 C ATOM 628 CG TYR A 83 13.201 14.702 -8.047 1.00 28.47 C ATOM 629 CD1 TYR A 83 12.083 15.265 -7.430 1.00 27.81 C ATOM 630 CD2 TYR A 83 13.299 13.318 -8.090 1.00 29.88 C ATOM 631 CE1 TYR A 83 11.108 14.462 -6.882 1.00 28.52 C ATOM 632 CE2 TYR A 83 12.298 12.498 -7.585 1.00 30.42 C ATOM 633 CZ TYR A 83 11.219 13.074 -6.959 1.00 29.27 C ATOM 634 OH TYR A 83 10.234 12.271 -6.461 1.00 30.76 O ATOM 635 HH TYR A 83 9.533 12.831 -6.044 1.00 0.00 H ATOM 636 H TYR A 83 14.896 14.122 -10.970 1.00 0.00 H ATOM 637 N ASP A 84 14.751 18.185 -10.377 1.00 28.50 N ATOM 638 CA ASP A 84 15.646 19.298 -10.546 1.00 28.77 C ATOM 639 C ASP A 84 16.046 19.838 -9.182 1.00 28.20 C ATOM 640 O ASP A 84 15.257 19.806 -8.241 1.00 28.22 O ATOM 641 CB ASP A 84 14.956 20.378 -11.352 1.00 30.61 C ATOM 642 CG ASP A 84 14.386 19.811 -12.649 1.00 33.37 C ATOM 643 OD1 ASP A 84 15.147 19.155 -13.393 1.00 33.81 O ATOM 644 OD2 ASP A 84 13.143 19.921 -12.852 1.00 36.93 O ATOM 645 H ASP A 84 13.765 18.392 -10.119 1.00 0.00 H ATOM 646 N TRP A 85 17.292 20.283 -9.065 1.00 27.12 N ATOM 647 CA TRP A 85 17.823 20.660 -7.766 1.00 25.98 C ATOM 648 C TRP A 85 18.138 22.110 -7.666 1.00 25.79 C ATOM 649 O TRP A 85 18.473 22.780 -8.665 1.00 27.55 O ATOM 650 CB TRP A 85 19.067 19.810 -7.394 1.00 26.67 C ATOM 651 CG TRP A 85 20.141 19.824 -8.431 1.00 27.34 C ATOM 652 CD1 TRP A 85 20.341 18.908 -9.391 1.00 28.44 C ATOM 653 CD2 TRP A 85 21.153 20.822 -8.601 1.00 28.66 C ATOM 654 NE1 TRP A 85 21.392 19.294 -10.198 1.00 30.88 N ATOM 655 CE2 TRP A 85 21.917 20.459 -9.725 1.00 31.14 C ATOM 656 CE3 TRP A 85 21.480 21.994 -7.916 1.00 28.99 C ATOM 657 CZ2 TRP A 85 22.998 21.214 -10.185 1.00 32.71 C ATOM 658 CZ3 TRP A 85 22.559 22.748 -8.369 1.00 32.18 C ATOM 659 CH2 TRP A 85 23.316 22.346 -9.490 1.00 33.61 C ATOM 660 HE1 TRP A 85 21.730 18.777 -11.035 1.00 0.00 H ATOM 661 H TRP A 85 17.893 20.362 -9.910 1.00 0.00 H ATOM 662 N THR A 86 18.051 22.589 -6.434 1.00 25.55 N ATOM 663 CA THR A 86 18.528 23.903 -6.063 1.00 27.52 C ATOM 664 C THR A 86 19.380 23.704 -4.825 1.00 25.47 C ATOM 665 O THR A 86 19.039 22.934 -3.935 1.00 25.54 O ATOM 666 CB THR A 86 17.398 24.920 -5.784 1.00 30.56 C ATOM 667 OG1 THR A 86 16.618 24.433 -4.711 1.00 36.74 O ATOM 668 CG2 THR A 86 16.517 25.054 -6.965 1.00 31.98 C ATOM 669 HG1 THR A 86 17.189 24.331 -3.909 1.00 0.00 H ATOM 670 H THR A 86 17.620 21.992 -5.699 1.00 0.00 H ATOM 671 N ILE A 87 20.500 24.391 -4.777 1.00 24.58 N ATOM 672 CA ILE A 87 21.358 24.390 -3.595 1.00 25.59 C ATOM 673 C ILE A 87 20.585 24.930 -2.375 1.00 24.05 C ATOM 674 O ILE A 87 19.879 25.944 -2.476 1.00 25.66 O ATOM 675 CB ILE A 87 22.625 25.221 -3.880 1.00 27.86 C ATOM 676 CG1 ILE A 87 23.534 24.428 -4.834 1.00 30.25 C ATOM 677 CG2 ILE A 87 23.386 25.512 -2.592 1.00 29.27 C ATOM 678 CD1 ILE A 87 24.645 25.251 -5.479 1.00 33.51 C ATOM 679 H ILE A 87 20.784 24.952 -5.606 1.00 0.00 H ATOM 680 N ALA A 88 20.720 24.249 -1.235 1.00 22.75 N ATOM 681 CA ALA A 88 20.127 24.665 0.024 1.00 22.40 C ATOM 682 C ALA A 88 21.235 25.053 0.989 1.00 20.90 C ATOM 683 O ALA A 88 22.074 24.216 1.397 1.00 21.27 O ATOM 684 CB ALA A 88 19.303 23.547 0.599 1.00 22.45 C ATOM 685 H ALA A 88 21.280 23.373 -1.249 1.00 0.00 H ATOM 686 N LEU A 89 21.299 26.330 1.319 1.00 21.70 N ATOM 687 CA LEU A 89 22.192 26.799 2.383 1.00 21.56 C ATOM 688 C LEU A 89 21.453 26.911 3.710 1.00 21.31 C ATOM 689 O LEU A 89 20.232 27.082 3.745 1.00 20.80 O ATOM 690 CB LEU A 89 22.786 28.155 2.034 1.00 23.10 C ATOM 691 CG LEU A 89 23.464 28.218 0.668 1.00 24.84 C ATOM 692 CD1 LEU A 89 24.009 29.639 0.470 1.00 27.86 C ATOM 693 CD2 LEU A 89 24.563 27.176 0.530 1.00 23.15 C ATOM 694 H LEU A 89 20.704 27.017 0.814 1.00 0.00 H ATOM 695 N CYS A 90 22.200 26.819 4.801 1.00 19.13 N ATOM 696 CA CYS A 90 21.670 27.219 6.073 1.00 20.03 C ATOM 697 C CYS A 90 21.276 28.688 5.925 1.00 21.03 C ATOM 698 O CYS A 90 22.102 29.529 5.523 1.00 20.24 O ATOM 699 CB CYS A 90 22.704 27.017 7.189 1.00 20.64 C ATOM 700 SG CYS A 90 22.150 27.661 8.783 1.00 20.85 S ATOM 701 H CYS A 90 23.172 26.456 4.735 1.00 0.00 H ATOM 702 N GLY A 91 20.037 29.014 6.314 1.00 19.90 N ATOM 703 CA GLY A 91 19.550 30.394 6.259 1.00 22.10 C ATOM 704 C GLY A 91 20.213 31.326 7.218 1.00 22.40 C ATOM 705 O GLY A 91 20.185 32.541 7.042 1.00 24.88 O ATOM 706 H GLY A 91 19.404 28.267 6.665 1.00 0.00 H ATOM 707 N GLN A 92 20.830 30.769 8.244 1.00 21.38 N ATOM 708 CA GLN A 92 21.465 31.588 9.252 1.00 21.88 C ATOM 709 C GLN A 92 22.934 31.856 8.907 1.00 22.69 C ATOM 710 O GLN A 92 23.338 33.025 8.776 1.00 24.47 O ATOM 711 CB GLN A 92 21.295 30.929 10.616 1.00 21.46 C ATOM 712 CG GLN A 92 21.764 31.751 11.803 1.00 23.08 C ATOM 713 CD GLN A 92 21.096 31.310 13.091 1.00 22.91 C ATOM 714 OE1 GLN A 92 20.154 31.928 13.525 1.00 23.46 O ATOM 715 NE2 GLN A 92 21.593 30.248 13.703 1.00 22.94 N ATOM 716 HE22 GLN A 92 22.406 29.745 13.294 1.00 0.00 H ATOM 717 HE21 GLN A 92 21.171 29.916 14.594 1.00 0.00 H ATOM 718 H GLN A 92 20.859 29.733 8.328 1.00 0.00 H ATOM 719 N CYS A 93 23.716 30.795 8.725 1.00 22.17 N ATOM 720 CA CYS A 93 25.157 30.936 8.593 1.00 23.31 C ATOM 721 C CYS A 93 25.657 30.748 7.187 1.00 23.67 C ATOM 722 O CYS A 93 26.815 31.048 6.913 1.00 23.07 O ATOM 723 CB CYS A 93 25.911 29.995 9.524 1.00 22.26 C ATOM 724 SG CYS A 93 25.925 28.279 9.000 1.00 23.88 S ATOM 725 H CYS A 93 23.289 29.848 8.676 1.00 0.00 H ATOM 726 N GLY A 94 24.819 30.256 6.287 1.00 23.23 N ATOM 727 CA GLY A 94 25.258 30.074 4.913 1.00 25.56 C ATOM 728 C GLY A 94 26.010 28.788 4.610 1.00 25.97 C ATOM 729 O GLY A 94 26.416 28.571 3.467 1.00 26.38 O ATOM 730 H GLY A 94 23.849 30.000 6.563 1.00 0.00 H ATOM 731 N SER A 95 26.178 27.915 5.590 1.00 23.81 N ATOM 732 CA SER A 95 26.744 26.583 5.342 1.00 26.26 C ATOM 733 C SER A 95 25.937 25.795 4.287 1.00 24.34 C ATOM 734 O SER A 95 24.702 25.779 4.312 1.00 22.06 O ATOM 735 CB SER A 95 26.773 25.778 6.636 1.00 27.11 C ATOM 736 OG SER A 95 27.191 24.450 6.430 1.00 30.45 O ATOM 737 HG SER A 95 27.194 23.968 7.295 1.00 0.00 H ATOM 738 H SER A 95 25.903 28.178 6.558 1.00 0.00 H ATOM 739 N HIS A 96 26.647 25.114 3.381 1.00 24.10 N ATOM 740 CA HIS A 96 25.960 24.319 2.371 1.00 24.26 C ATOM 741 C HIS A 96 25.433 23.036 3.010 1.00 21.82 C ATOM 742 O HIS A 96 26.199 22.152 3.367 1.00 24.51 O ATOM 743 CB HIS A 96 26.912 24.004 1.195 1.00 27.69 C ATOM 744 CG HIS A 96 26.273 23.138 0.166 1.00 29.03 C ATOM 745 ND1 HIS A 96 26.984 22.242 -0.610 1.00 33.12 N ATOM 746 CD2 HIS A 96 24.970 22.980 -0.165 1.00 26.04 C ATOM 747 CE1 HIS A 96 26.142 21.592 -1.392 1.00 30.94 C ATOM 748 NE2 HIS A 96 24.920 22.013 -1.138 1.00 29.32 N ATOM 749 H HIS A 96 27.686 25.152 3.397 1.00 0.00 H ATOM 750 N LEU A 97 24.127 22.918 3.177 1.00 21.31 N ATOM 751 CA LEU A 97 23.561 21.813 3.900 1.00 19.58 C ATOM 752 C LEU A 97 22.993 20.722 2.998 1.00 20.72 C ATOM 753 O LEU A 97 22.783 19.601 3.454 1.00 19.80 O ATOM 754 CB LEU A 97 22.508 22.270 4.888 1.00 20.26 C ATOM 755 CG LEU A 97 22.969 23.144 6.047 1.00 21.39 C ATOM 756 CD1 LEU A 97 21.841 23.407 7.024 1.00 20.60 C ATOM 757 CD2 LEU A 97 24.161 22.562 6.770 1.00 21.97 C ATOM 758 H LEU A 97 23.496 23.641 2.776 1.00 0.00 H ATOM 759 N GLY A 98 22.759 21.045 1.734 1.00 20.79 N ATOM 760 CA GLY A 98 22.298 20.069 0.788 1.00 21.09 C ATOM 761 C GLY A 98 21.564 20.716 -0.380 1.00 21.39 C ATOM 762 O GLY A 98 22.002 21.728 -0.913 1.00 22.30 O ATOM 763 H GLY A 98 22.912 22.025 1.422 1.00 0.00 H ATOM 764 N TRP A 99 20.479 20.077 -0.799 1.00 21.51 N ATOM 765 CA TRP A 99 19.728 20.481 -2.003 1.00 22.22 C ATOM 766 C TRP A 99 18.226 20.294 -1.777 1.00 22.99 C ATOM 767 O TRP A 99 17.805 19.405 -1.015 1.00 22.21 O ATOM 768 CB TRP A 99 20.165 19.654 -3.235 1.00 22.92 C ATOM 769 CG TRP A 99 21.653 19.746 -3.544 1.00 23.28 C ATOM 770 CD1 TRP A 99 22.252 20.637 -4.390 1.00 24.76 C ATOM 771 CD2 TRP A 99 22.713 18.992 -2.929 1.00 24.20 C ATOM 772 NE1 TRP A 99 23.612 20.451 -4.358 1.00 26.44 N ATOM 773 CE2 TRP A 99 23.919 19.457 -3.454 1.00 25.04 C ATOM 774 CE3 TRP A 99 22.753 17.989 -1.949 1.00 23.60 C ATOM 775 CZ2 TRP A 99 25.175 18.920 -3.050 1.00 26.13 C ATOM 776 CZ3 TRP A 99 23.979 17.450 -1.568 1.00 23.73 C ATOM 777 CH2 TRP A 99 25.177 17.919 -2.115 1.00 23.85 C ATOM 778 HE1 TRP A 99 24.304 20.979 -4.928 1.00 0.00 H ATOM 779 H TRP A 99 20.144 19.256 -0.255 1.00 0.00 H ATOM 780 N HIS A 100 17.441 21.140 -2.442 1.00 22.26 N ATOM 781 CA HIS A 100 15.999 20.955 -2.552 1.00 23.73 C ATOM 782 C HIS A 100 15.722 20.430 -3.953 1.00 23.10 C ATOM 783 O HIS A 100 16.290 20.914 -4.936 1.00 25.15 O ATOM 784 CB HIS A 100 15.232 22.262 -2.346 1.00 25.30 C ATOM 785 CG HIS A 100 13.747 22.089 -2.314 1.00 27.46 C ATOM 786 ND1 HIS A 100 12.908 22.683 -3.224 1.00 31.17 N ATOM 787 CD2 HIS A 100 12.954 21.362 -1.498 1.00 27.25 C ATOM 788 CE1 HIS A 100 11.662 22.371 -2.946 1.00 30.06 C ATOM 789 NE2 HIS A 100 11.669 21.566 -1.905 1.00 30.96 N ATOM 790 H HIS A 100 17.874 21.966 -2.902 1.00 0.00 H ATOM 791 N TYR A 101 14.916 19.395 -4.007 1.00 23.20 N ATOM 792 CA TYR A 101 14.547 18.736 -5.245 1.00 24.52 C ATOM 793 C TYR A 101 13.080 19.084 -5.532 1.00 26.17 C ATOM 794 O TYR A 101 12.245 19.079 -4.621 1.00 25.88 O ATOM 795 CB TYR A 101 14.749 17.221 -5.117 1.00 23.52 C ATOM 796 CG TYR A 101 16.207 16.876 -5.088 1.00 22.99 C ATOM 797 CD1 TYR A 101 16.944 16.771 -6.258 1.00 24.44 C ATOM 798 CD2 TYR A 101 16.877 16.792 -3.865 1.00 22.88 C ATOM 799 CE1 TYR A 101 18.308 16.482 -6.248 1.00 25.63 C ATOM 800 CE2 TYR A 101 18.240 16.495 -3.830 1.00 23.81 C ATOM 801 CZ TYR A 101 18.965 16.369 -5.013 1.00 25.14 C ATOM 802 OH TYR A 101 20.342 16.110 -4.978 1.00 24.50 O ATOM 803 HH TYR A 101 20.689 16.053 -5.903 1.00 0.00 H ATOM 804 H TYR A 101 14.522 19.029 -3.117 1.00 0.00 H ATOM 805 N GLU A 102 12.785 19.353 -6.791 1.00 27.12 N ATOM 806 CA GLU A 102 11.429 19.645 -7.241 1.00 30.12 C ATOM 807 C GLU A 102 11.253 19.209 -8.680 1.00 29.49 C ATOM 808 O GLU A 102 12.180 18.687 -9.314 1.00 29.59 O ATOM 809 CB GLU A 102 11.152 21.148 -7.090 1.00 33.54 C ATOM 810 CG GLU A 102 11.901 22.014 -8.107 1.00 37.68 C ATOM 811 CD GLU A 102 11.770 23.522 -7.825 1.00 43.19 C ATOM 812 OE1 GLU A 102 10.861 24.167 -8.396 1.00 44.10 O ATOM 813 OE2 GLU A 102 12.551 24.091 -7.023 1.00 43.57 O ATOM 814 H GLU A 102 13.553 19.357 -7.492 1.00 0.00 H ATOM 815 N GLY A 103 10.036 19.341 -9.186 1.00 29.14 N ATOM 816 CA GLY A 103 9.735 19.008 -10.583 1.00 30.80 C ATOM 817 C GLY A 103 9.502 17.530 -10.915 1.00 31.09 C ATOM 818 O GLY A 103 9.367 17.162 -12.092 1.00 30.99 O ATOM 819 H GLY A 103 9.271 19.691 -8.575 1.00 0.00 H ATOM 820 N GLY A 104 9.502 16.669 -9.896 1.00 30.86 N ATOM 821 CA GLY A 104 9.309 15.243 -10.088 1.00 32.34 C ATOM 822 C GLY A 104 7.943 14.774 -9.698 1.00 34.43 C ATOM 823 O GLY A 104 6.968 15.531 -9.739 1.00 35.25 O ATOM 824 H GLY A 104 9.645 17.031 -8.932 1.00 0.00 H ATOM 825 N SER A 105 7.869 13.491 -9.325 1.00 36.59 N ATOM 826 CA SER A 105 6.586 12.856 -9.000 1.00 38.77 C ATOM 827 C SER A 105 6.692 11.940 -7.778 1.00 39.70 C ATOM 828 O SER A 105 7.644 11.163 -7.665 1.00 38.59 O ATOM 829 CB SER A 105 6.104 12.030 -10.175 1.00 41.21 C ATOM 830 OG SER A 105 6.060 12.776 -11.381 1.00 41.69 O ATOM 831 HG SER A 105 6.967 13.110 -11.594 1.00 0.00 H ATOM 832 H SER A 105 8.742 12.930 -9.264 1.00 0.00 H ATOM 833 N GLN A 106 5.689 12.000 -6.910 1.00 40.23 N ATOM 834 CA GLN A 106 5.551 11.095 -5.766 1.00 41.74 C ATOM 835 C GLN A 106 6.867 10.865 -4.983 1.00 39.13 C ATOM 836 O GLN A 106 7.407 9.772 -4.998 1.00 40.07 O ATOM 837 CB GLN A 106 4.939 9.759 -6.239 1.00 46.61 C ATOM 838 CG GLN A 106 4.375 8.945 -5.075 1.00 50.45 C ATOM 839 CD GLN A 106 3.386 7.881 -5.490 1.00 56.18 C ATOM 840 OE1 GLN A 106 2.868 7.878 -6.605 1.00 61.20 O ATOM 841 NE2 GLN A 106 3.113 6.956 -4.581 1.00 59.98 N ATOM 842 HE22 GLN A 106 3.572 6.992 -3.648 1.00 0.00 H ATOM 843 HE21 GLN A 106 2.440 6.194 -4.800 1.00 0.00 H ATOM 844 H GLN A 106 4.961 12.730 -7.050 1.00 0.00 H ATOM 845 N PRO A 107 7.359 11.893 -4.280 1.00 35.09 N ATOM 846 CA PRO A 107 6.769 13.213 -4.111 1.00 34.71 C ATOM 847 C PRO A 107 7.235 14.205 -5.182 1.00 33.44 C ATOM 848 O PRO A 107 8.295 14.020 -5.776 1.00 30.37 O ATOM 849 CB PRO A 107 7.267 13.613 -2.730 1.00 35.41 C ATOM 850 CG PRO A 107 8.641 13.018 -2.670 1.00 33.67 C ATOM 851 CD PRO A 107 8.581 11.742 -3.477 1.00 35.22 C ATOM 852 N GLN A 108 6.479 15.278 -5.381 1.00 33.61 N ATOM 853 CA GLN A 108 6.902 16.331 -6.303 1.00 33.52 C ATOM 854 C GLN A 108 8.200 16.998 -5.859 1.00 31.35 C ATOM 855 O GLN A 108 8.993 17.416 -6.691 1.00 30.65 O ATOM 856 CB GLN A 108 5.788 17.372 -6.515 1.00 33.46 C ATOM 857 CG GLN A 108 4.705 16.883 -7.424 1.00 35.92 C ATOM 858 CD GLN A 108 3.593 17.902 -7.487 1.00 37.39 C ATOM 859 OE1 GLN A 108 3.234 18.545 -6.490 1.00 36.95 O ATOM 860 NE2 GLN A 108 3.092 18.096 -8.650 1.00 39.14 N ATOM 861 HE22 GLN A 108 3.423 17.533 -9.459 1.00 0.00 H ATOM 862 HE21 GLN A 108 2.354 18.816 -8.785 1.00 0.00 H ATOM 863 H GLN A 108 5.575 15.371 -4.875 1.00 0.00 H ATOM 864 N THR A 109 8.394 17.131 -4.546 1.00 31.14 N ATOM 865 CA THR A 109 9.518 17.833 -3.981 1.00 29.86 C ATOM 866 C THR A 109 10.013 17.094 -2.720 1.00 29.89 C ATOM 867 O THR A 109 9.243 16.426 -2.043 1.00 30.15 O ATOM 868 CB THR A 109 9.136 19.269 -3.543 1.00 31.56 C ATOM 869 OG1 THR A 109 8.282 19.200 -2.401 1.00 31.74 O ATOM 870 CG2 THR A 109 8.374 19.992 -4.614 1.00 33.71 C ATOM 871 HG1 THR A 109 8.757 18.742 -1.663 1.00 0.00 H ATOM 872 H THR A 109 7.700 16.707 -3.898 1.00 0.00 H ATOM 873 N PHE A 110 11.282 17.291 -2.381 1.00 28.14 N ATOM 874 CA PHE A 110 11.894 16.789 -1.115 1.00 26.19 C ATOM 875 C PHE A 110 13.289 17.450 -0.923 1.00 25.91 C ATOM 876 O PHE A 110 13.761 18.194 -1.799 1.00 25.86 O ATOM 877 CB PHE A 110 11.977 15.258 -1.105 1.00 26.26 C ATOM 878 CG PHE A 110 12.987 14.698 -2.067 1.00 26.52 C ATOM 879 CD1 PHE A 110 12.687 14.537 -3.420 1.00 27.01 C ATOM 880 CD2 PHE A 110 14.253 14.348 -1.627 1.00 26.37 C ATOM 881 CE1 PHE A 110 13.639 14.039 -4.308 1.00 27.82 C ATOM 882 CE2 PHE A 110 15.212 13.834 -2.515 1.00 26.30 C ATOM 883 CZ PHE A 110 14.905 13.687 -3.859 1.00 27.99 C ATOM 884 H PHE A 110 11.886 17.827 -3.037 1.00 0.00 H ATOM 885 N PHE A 111 13.927 17.203 0.236 1.00 22.96 N ATOM 886 CA PHE A 111 15.227 17.752 0.524 1.00 21.97 C ATOM 887 C PHE A 111 16.214 16.609 0.650 1.00 21.21 C ATOM 888 O PHE A 111 15.909 15.573 1.216 1.00 22.11 O ATOM 889 CB PHE A 111 15.256 18.539 1.848 1.00 22.05 C ATOM 890 CG PHE A 111 14.454 19.795 1.829 1.00 22.38 C ATOM 891 CD1 PHE A 111 13.087 19.764 2.059 1.00 25.67 C ATOM 892 CD2 PHE A 111 15.061 20.992 1.566 1.00 24.09 C ATOM 893 CE1 PHE A 111 12.338 20.932 2.039 1.00 27.72 C ATOM 894 CE2 PHE A 111 14.335 22.162 1.525 1.00 25.41 C ATOM 895 CZ PHE A 111 12.971 22.140 1.776 1.00 25.39 C ATOM 896 H PHE A 111 13.467 16.597 0.945 1.00 0.00 H ATOM 897 N GLY A 112 17.396 16.816 0.103 1.00 20.23 N ATOM 898 CA GLY A 112 18.486 15.872 0.274 1.00 21.53 C ATOM 899 C GLY A 112 19.574 16.628 1.052 1.00 21.20 C ATOM 900 O GLY A 112 20.222 17.518 0.501 1.00 21.50 O ATOM 901 H GLY A 112 17.551 17.674 -0.463 1.00 0.00 H ATOM 902 N LEU A 113 19.761 16.281 2.319 1.00 20.70 N ATOM 903 CA LEU A 113 20.643 17.002 3.224 1.00 20.64 C ATOM 904 C LEU A 113 21.886 16.178 3.560 1.00 21.85 C ATOM 905 O LEU A 113 21.825 14.950 3.697 1.00 22.51 O ATOM 906 CB LEU A 113 19.893 17.390 4.511 1.00 21.03 C ATOM 907 CG LEU A 113 18.639 18.260 4.291 1.00 22.41 C ATOM 908 CD1 LEU A 113 18.025 18.620 5.643 1.00 23.25 C ATOM 909 CD2 LEU A 113 19.004 19.533 3.523 1.00 22.07 C ATOM 910 H LEU A 113 19.251 15.451 2.684 1.00 0.00 H ATOM 911 N ILE A 114 23.016 16.861 3.686 1.00 21.26 N ATOM 912 CA ILE A 114 24.291 16.193 3.930 1.00 22.01 C ATOM 913 C ILE A 114 24.395 15.853 5.423 1.00 21.27 C ATOM 914 O ILE A 114 24.480 16.740 6.289 1.00 20.85 O ATOM 915 CB ILE A 114 25.460 17.084 3.494 1.00 22.25 C ATOM 916 CG1 ILE A 114 25.260 17.443 2.012 1.00 22.02 C ATOM 917 CG2 ILE A 114 26.778 16.375 3.777 1.00 23.64 C ATOM 918 CD1 ILE A 114 25.995 18.655 1.567 1.00 22.22 C ATOM 919 H ILE A 114 22.993 17.898 3.609 1.00 0.00 H ATOM 920 N LYS A 115 24.364 14.573 5.716 1.00 22.08 N ATOM 921 CA LYS A 115 24.217 14.116 7.075 1.00 25.35 C ATOM 922 C LYS A 115 25.257 14.660 8.039 1.00 25.89 C ATOM 923 O LYS A 115 24.934 15.079 9.168 1.00 24.88 O ATOM 924 CB LYS A 115 24.217 12.596 7.088 1.00 28.47 C ATOM 925 CG LYS A 115 24.075 11.992 8.445 1.00 32.11 C ATOM 926 CD LYS A 115 25.326 11.344 8.994 1.00 36.79 C ATOM 927 CE LYS A 115 24.948 10.268 10.025 1.00 40.35 C ATOM 928 NZ LYS A 115 25.752 10.107 11.260 1.00 40.04 N ATOM 929 HZ1 LYS A 115 26.734 9.877 11.006 1.00 0.00 H ATOM 930 HZ2 LYS A 115 25.732 10.994 11.803 1.00 0.00 H ATOM 931 HZ3 LYS A 115 25.352 9.338 11.835 1.00 0.00 H ATOM 932 H LYS A 115 24.447 13.874 4.951 1.00 0.00 H ATOM 933 N ASP A 116 26.510 14.717 7.594 1.00 25.67 N ATOM 934 CA ASP A 116 27.539 15.139 8.524 1.00 28.41 C ATOM 935 C ASP A 116 27.587 16.664 8.703 1.00 26.51 C ATOM 936 O ASP A 116 28.465 17.164 9.420 1.00 28.97 O ATOM 937 CB ASP A 116 28.922 14.584 8.156 1.00 33.26 C ATOM 938 CG ASP A 116 29.244 14.791 6.700 1.00 35.88 C ATOM 939 OD1 ASP A 116 28.450 14.391 5.835 1.00 42.67 O ATOM 940 OD2 ASP A 116 30.305 15.302 6.424 1.00 41.60 O ATOM 941 H ASP A 116 26.743 14.467 6.612 1.00 0.00 H ATOM 942 N ARG A 117 26.698 17.412 8.057 1.00 22.81 N ATOM 943 CA ARG A 117 26.618 18.861 8.238 1.00 24.20 C ATOM 944 C ARG A 117 25.488 19.212 9.213 1.00 22.22 C ATOM 945 O ARG A 117 25.207 20.394 9.400 1.00 22.53 O ATOM 946 CB ARG A 117 26.459 19.590 6.880 1.00 26.20 C ATOM 947 CG ARG A 117 27.575 19.220 5.912 1.00 31.07 C ATOM 948 CD ARG A 117 28.092 20.337 5.029 1.00 36.18 C ATOM 949 NE ARG A 117 29.111 19.782 4.127 1.00 41.17 N ATOM 950 CZ ARG A 117 29.413 20.228 2.904 1.00 42.68 C ATOM 951 NH1 ARG A 117 28.776 21.267 2.369 1.00 36.78 N ATOM 952 NH2 ARG A 117 30.377 19.607 2.210 1.00 46.65 N ATOM 953 HE ARG A 117 29.649 18.963 4.474 1.00 0.00 H ATOM 954 HH12 ARG A 117 29.028 21.597 1.415 1.00 0.00 H ATOM 955 HH11 ARG A 117 28.026 21.749 2.905 1.00 0.00 H ATOM 956 HH22 ARG A 117 30.627 19.939 1.257 1.00 0.00 H ATOM 957 HH21 ARG A 117 30.875 18.794 2.625 1.00 0.00 H ATOM 958 H ARG A 117 26.037 16.951 7.400 1.00 0.00 H ATOM 959 N LEU A 118 24.820 18.192 9.745 1.00 20.91 N ATOM 960 CA LEU A 118 23.764 18.360 10.730 1.00 21.49 C ATOM 961 C LEU A 118 24.184 17.827 12.068 1.00 22.45 C ATOM 962 O LEU A 118 25.039 16.930 12.157 1.00 23.65 O ATOM 963 CB LEU A 118 22.497 17.624 10.253 1.00 22.83 C ATOM 964 CG LEU A 118 21.989 18.019 8.861 1.00 22.24 C ATOM 965 CD1 LEU A 118 20.888 17.065 8.403 1.00 25.48 C ATOM 966 CD2 LEU A 118 21.493 19.447 8.869 1.00 23.43 C ATOM 967 H LEU A 118 25.065 17.228 9.442 1.00 0.00 H ATOM 968 N ALA A 119 23.561 18.353 13.116 1.00 20.53 N ATOM 969 CA ALA A 119 23.683 17.811 14.463 1.00 22.36 C ATOM 970 C ALA A 119 22.307 17.406 14.950 1.00 22.43 C ATOM 971 O ALA A 119 21.361 18.191 14.828 1.00 22.29 O ATOM 972 CB ALA A 119 24.264 18.853 15.389 1.00 23.22 C ATOM 973 H ALA A 119 22.960 19.189 12.969 1.00 0.00 H ATOM 974 N GLU A 120 22.213 16.205 15.514 1.00 23.42 N ATOM 975 CA GLU A 120 20.960 15.661 15.985 1.00 26.09 C ATOM 976 C GLU A 120 20.822 15.765 17.487 1.00 26.64 C ATOM 977 O GLU A 120 21.755 15.524 18.227 1.00 26.60 O ATOM 978 CB GLU A 120 20.817 14.202 15.570 1.00 28.93 C ATOM 979 CG GLU A 120 19.418 13.656 15.863 1.00 35.12 C ATOM 980 CD GLU A 120 19.156 12.266 15.273 1.00 40.06 C ATOM 981 OE1 GLU A 120 20.113 11.647 14.737 1.00 43.11 O ATOM 982 OE2 GLU A 120 17.985 11.817 15.332 1.00 45.87 O ATOM 983 H GLU A 120 23.076 15.635 15.620 1.00 0.00 H ATOM 984 N GLY A 121 19.631 16.123 17.934 1.00 27.19 N ATOM 985 CA GLY A 121 19.430 16.338 19.347 1.00 28.60 C ATOM 986 C GLY A 121 17.985 16.495 19.753 1.00 29.87 C ATOM 987 O GLY A 121 17.077 16.357 18.935 1.00 30.26 O ATOM 988 H GLY A 121 18.841 16.249 17.270 1.00 0.00 H ATOM 989 N PRO A 122 17.768 16.740 21.028 1.00 31.67 N ATOM 990 CA PRO A 122 16.389 16.782 21.556 1.00 35.06 C ATOM 991 C PRO A 122 15.587 17.988 21.016 1.00 35.24 C ATOM 992 O PRO A 122 16.171 19.007 20.658 1.00 33.45 O ATOM 993 CB PRO A 122 16.583 16.841 23.066 1.00 35.55 C ATOM 994 CG PRO A 122 17.981 17.304 23.279 1.00 35.05 C ATOM 995 CD PRO A 122 18.783 17.024 22.044 1.00 32.15 C ATOM 996 N ALA A 123 14.271 17.823 20.941 1.00 39.08 N ATOM 997 CA ALA A 123 13.363 18.774 20.264 1.00 40.49 C ATOM 998 C ALA A 123 13.284 20.160 20.901 1.00 41.30 C ATOM 999 O ALA A 123 13.371 20.285 22.114 1.00 46.19 O ATOM 1000 CB ALA A 123 11.970 18.178 20.183 1.00 43.99 C ATOM 1001 H ALA A 123 13.856 16.978 21.383 1.00 0.00 H TER 1002 ALA A 123 HETATM 1003 ZN ZN A 1 24.138 27.235 9.975 1.00 21.88 ZN HETATM 1004 O HOH 2 9.987 23.299 -10.337 1.00 42.17 O HETATM 1005 O HOH 3 23.205 23.344 -13.335 1.00 38.04 O HETATM 1006 O HOH 4 8.649 11.660 5.316 1.00 29.77 O HETATM 1007 O HOH 5 11.243 21.415 14.028 1.00 48.75 O HETATM 1008 O HOH 6 28.886 13.517 3.491 1.00 30.28 O HETATM 1009 O HOH 7 11.975 8.655 10.926 1.00 43.05 O HETATM 1010 O HOH 8 8.308 15.601 0.225 1.00 44.27 O HETATM 1011 O HOH 9 13.192 9.397 -8.947 1.00 47.61 O HETATM 1012 O HOH 10 21.126 26.270 -6.997 1.00 33.07 O HETATM 1013 O HOH 11 15.020 30.011 6.247 1.00 43.06 O HETATM 1014 O HOH 12 11.846 22.051 -11.982 1.00 34.37 O HETATM 1015 O HOH 13 14.437 16.735 -14.179 1.00 49.51 O HETATM 1016 O HOH 14 15.027 19.116 -16.034 1.00 30.23 O HETATM 1017 O HOH 15 26.287 12.488 12.288 1.00 29.37 O HETATM 1018 O HOH 16 31.928 16.564 8.110 1.00 31.48 O HETATM 1019 O HOH 17 30.860 17.433 4.918 1.00 43.30 O HETATM 1020 O HOH 18 29.908 22.993 15.517 1.00 35.79 O HETATM 1021 O HOH 19 28.366 32.723 8.314 1.00 36.79 O HETATM 1022 O HOH 20 23.344 16.204 -16.557 1.00 46.04 O HETATM 1023 O HOH 21 20.024 24.961 -9.246 1.00 30.91 O HETATM 1024 O HOH 22 16.235 13.203 -14.262 1.00 50.18 O HETATM 1025 O HOH 23 25.693 21.577 -5.682 1.00 35.57 O HETATM 1026 O HOH 24 22.203 31.839 4.075 1.00 48.47 O HETATM 1027 O HOH 25 16.893 8.350 -9.076 1.00 44.64 O HETATM 1028 O HOH 26 16.507 21.735 20.414 1.00 31.48 O HETATM 1029 O HOH 27 29.637 21.618 -0.246 1.00 47.69 O HETATM 1030 O HOH 28 9.803 19.028 -0.107 1.00 41.57 O HETATM 1031 O HOH 29 6.331 18.170 -10.312 1.00 25.52 O HETATM 1032 O HOH 30 5.297 16.828 11.385 1.00 54.27 O HETATM 1033 O HOH 31 24.128 14.311 11.757 1.00 33.37 O HETATM 1034 O HOH 32 3.837 14.937 -4.455 1.00 39.52 O HETATM 1035 O HOH 33 15.549 30.180 -4.891 1.00 43.04 O HETATM 1036 O HOH 34 29.472 25.106 3.392 1.00 31.53 O HETATM 1037 O HOH 35 31.170 20.586 14.777 1.00 40.05 O HETATM 1038 O HOH 36 28.636 11.272 6.361 1.00 36.22 O HETATM 1039 O HOH 37 6.122 17.365 -2.652 1.00 37.61 O HETATM 1040 O HOH 38 7.484 20.396 -8.478 1.00 43.62 O HETATM 1041 O HOH 39 26.921 22.614 8.713 1.00 28.73 O HETATM 1042 O HOH 40 11.378 13.932 14.956 1.00 29.55 O HETATM 1043 O HOH 41 8.882 12.849 -12.222 1.00 37.84 O HETATM 1044 O HOH 42 3.006 17.856 -3.629 1.00 53.83 O HETATM 1045 O HOH 43 32.424 17.538 2.724 1.00 47.12 O HETATM 1046 O HOH 44 6.623 18.335 2.059 1.00 39.66 O HETATM 1047 O HOH 45 14.100 7.230 12.083 1.00 52.69 O HETATM 1048 O HOH 46 17.130 15.914 -13.737 1.00 58.24 O HETATM 1049 O HOH 47 15.343 13.095 23.105 1.00 47.39 O HETATM 1050 O HOH 48 32.466 20.674 10.477 1.00 48.09 O HETATM 1051 O HOH 49 18.318 33.088 -5.157 1.00 53.31 O HETATM 1052 O HOH 50 10.505 11.971 -10.172 1.00 34.12 O HETATM 1053 O HOH 51 20.589 12.783 -14.293 1.00 53.19 O HETATM 1054 O HOH 52 14.824 4.238 5.264 1.00 55.57 O HETATM 1055 O HOH 53 28.781 21.766 -3.420 1.00 57.27 O HETATM 1056 O HOH 54 19.321 9.240 -11.372 1.00 50.83 O HETATM 1057 O HOH 55 25.845 22.083 -12.392 1.00 54.56 O HETATM 1058 O HOH 56 23.078 27.974 -7.812 1.00 47.41 O HETATM 1059 O HOH 57 6.267 21.680 -6.097 1.00 60.71 O HETATM 1060 OAA BAQ A 58 21.482 16.072 -7.352 1.00 -0.40 O HETATM 1061 CAF BAQ A 58 22.445 16.813 -7.517 1.00 0.18 C HETATM 1062 CAD BAQ A 58 22.705 18.062 -6.715 1.00 0.04 C HETATM 1063 CAB BAQ A 58 24.140 18.433 -7.117 1.00 -0.02 C HETATM 1064 CAC BAQ A 58 24.536 17.556 -8.309 1.00 0.03 C HETATM 1065 NAE BAQ A 58 23.435 16.618 -8.379 1.00 -0.29 N HETATM 1066 H7 BAQ A 58 23.422 15.867 -9.039 1.00 0.19 H HETATM 1067 H5 BAQ A 58 25.489 17.039 -8.124 1.00 0.05 H HETATM 1068 H6 BAQ A 58 24.614 18.149 -9.232 1.00 0.05 H HETATM 1069 H3 BAQ A 58 24.823 18.250 -6.275 1.00 0.03 H HETATM 1070 H4 BAQ A 58 24.186 19.494 -7.402 1.00 0.03 H HETATM 1071 H1 BAQ A 58 22.635 17.861 -5.636 1.00 0.05 H HETATM 1072 H2 BAQ A 58 21.999 18.861 -6.986 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 1060 1061 CONECT 1061 1060 1062 1065 CONECT 1062 1061 1063 1071 1072 CONECT 1063 1062 1064 1069 1070 CONECT 1064 1063 1065 1067 1068 CONECT 1065 1061 1064 1066 CONECT 1066 1065 CONECT 1067 1064 CONECT 1068 1064 CONECT 1069 1063 CONECT 1070 1063 CONECT 1071 1062 CONECT 1072 1062 MASTER 0 0 0 0 0 0 0 0 1071 1 22 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5oh2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
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%
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
5oh2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
BAQ
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Ki=57uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Acs Omega Vol. 3: pp. 11163-11171
Ligand Properties
Formula
C
4
H
7
NO
Molecular Weight
85.105
Exact Mass
85.053
No. of atoms
13
No. of bonds
13
Polar Surface Area
29.1
LOGP Value
-0.39 (
Computed with XLOGP3
)
0.23 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 1
Canonical SMILES
O=C1CCCN1
InChI String
InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
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
This site has been visited
times since Nov 2007.
Copyright ©2007-2025 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓