Browse entries in the PDBbind-CN Database
HEADER 5OH9_COMPLEX COMPND 5OH9_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR SEQRES 2 A 106 ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP SEQRES 3 A 106 HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE SEQRES 4 A 106 ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU SEQRES 5 A 106 ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY SEQRES 6 A 106 TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER SEQRES 7 A 106 HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN SEQRES 8 A 106 THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY SEQRES 9 A 106 PRO ALA HET ZN A 1 1 HET UNN A 177 10 ATOM 1 N GLY A 18 15.109 13.021 22.908 1.00 56.29 N ATOM 2 CA GLY A 18 16.607 13.116 22.947 1.00 57.73 C ATOM 3 C GLY A 18 17.294 13.277 21.600 1.00 56.02 C ATOM 4 O GLY A 18 18.314 13.968 21.497 1.00 59.30 O ATOM 5 HN3 GLY A 18 14.830 12.197 22.338 1.00 0.00 H ATOM 6 HN2 GLY A 18 14.719 13.886 22.483 1.00 0.00 H ATOM 7 HN1 GLY A 18 14.744 12.914 23.876 1.00 0.00 H ATOM 8 N ALA A 19 16.758 12.636 20.563 1.00 54.73 N ATOM 9 CA ALA A 19 17.320 12.770 19.218 1.00 54.19 C ATOM 10 C ALA A 19 16.180 12.907 18.206 1.00 51.04 C ATOM 11 O ALA A 19 15.943 12.036 17.376 1.00 57.16 O ATOM 12 CB ALA A 19 18.218 11.585 18.890 1.00 56.35 C ATOM 13 H ALA A 19 15.926 12.030 20.711 1.00 0.00 H ATOM 14 N SER A 20 15.450 14.004 18.302 1.00 44.08 N ATOM 15 CA SER A 20 14.327 14.157 17.464 1.00 39.90 C ATOM 16 C SER A 20 14.450 15.291 16.473 1.00 33.38 C ATOM 17 O SER A 20 13.733 15.213 15.488 1.00 33.39 O ATOM 18 CB SER A 20 13.009 14.190 18.257 1.00 43.89 C ATOM 19 OG SER A 20 12.682 15.504 18.665 1.00 46.08 O ATOM 20 HG SER A 20 11.831 15.489 19.171 1.00 0.00 H ATOM 21 H SER A 20 15.701 14.745 18.987 1.00 0.00 H ATOM 22 N ILE A 21 15.333 16.286 16.690 1.00 27.01 N ATOM 23 CA ILE A 21 15.421 17.372 15.726 1.00 24.88 C ATOM 24 C ILE A 21 16.858 17.557 15.227 1.00 22.66 C ATOM 25 O ILE A 21 17.831 17.231 15.921 1.00 24.31 O ATOM 26 CB ILE A 21 14.767 18.668 16.218 1.00 24.73 C ATOM 27 CG1 ILE A 21 15.697 19.449 17.142 1.00 24.78 C ATOM 28 CG2 ILE A 21 13.442 18.341 16.926 1.00 27.49 C ATOM 29 CD1 ILE A 21 15.471 20.934 17.087 1.00 24.42 C ATOM 30 H ILE A 21 15.942 16.277 17.533 1.00 0.00 H ATOM 31 N PHE A 22 16.962 17.972 13.985 1.00 19.69 N ATOM 32 CA PHE A 22 18.240 18.242 13.372 1.00 18.19 C ATOM 33 C PHE A 22 18.447 19.755 13.253 1.00 18.48 C ATOM 34 O PHE A 22 17.606 20.457 12.724 1.00 18.33 O ATOM 35 CB PHE A 22 18.317 17.644 11.961 1.00 18.33 C ATOM 36 CG PHE A 22 18.294 16.158 11.952 1.00 20.41 C ATOM 37 CD1 PHE A 22 19.432 15.456 12.167 1.00 22.23 C ATOM 38 CD2 PHE A 22 17.108 15.463 11.731 1.00 22.00 C ATOM 39 CE1 PHE A 22 19.424 14.050 12.199 1.00 24.81 C ATOM 40 CE2 PHE A 22 17.099 14.082 11.721 1.00 23.86 C ATOM 41 CZ PHE A 22 18.251 13.378 11.990 1.00 24.63 C ATOM 42 H PHE A 22 16.096 18.110 13.426 1.00 0.00 H ATOM 43 N ARG A 23 19.630 20.201 13.680 1.00 17.49 N ATOM 44 CA ARG A 23 20.064 21.549 13.587 1.00 17.24 C ATOM 45 C ARG A 23 21.297 21.676 12.709 1.00 17.29 C ATOM 46 O ARG A 23 22.017 20.713 12.529 1.00 17.49 O ATOM 47 CB ARG A 23 20.403 22.078 15.017 1.00 18.63 C ATOM 48 CG ARG A 23 19.200 22.244 15.897 1.00 20.18 C ATOM 49 CD ARG A 23 19.542 22.869 17.271 1.00 21.55 C ATOM 50 NE ARG A 23 18.319 22.990 18.027 1.00 22.83 N ATOM 51 CZ ARG A 23 17.416 23.932 17.865 1.00 24.56 C ATOM 52 NH1 ARG A 23 17.651 24.946 17.051 1.00 24.51 N ATOM 53 NH2 ARG A 23 16.290 23.910 18.575 1.00 29.04 N ATOM 54 HE ARG A 23 18.137 22.274 18.759 1.00 0.00 H ATOM 55 HH12 ARG A 23 16.934 25.689 16.926 1.00 0.00 H ATOM 56 HH11 ARG A 23 18.553 25.001 16.536 1.00 0.00 H ATOM 57 HH22 ARG A 23 15.578 24.657 18.444 1.00 0.00 H ATOM 58 HH21 ARG A 23 16.122 23.146 19.260 1.00 0.00 H ATOM 59 H ARG A 23 20.279 19.513 14.111 1.00 0.00 H ATOM 60 N CYS A 24 21.536 22.872 12.163 1.00 16.95 N ATOM 61 CA CYS A 24 22.778 23.169 11.463 1.00 16.61 C ATOM 62 C CYS A 24 23.960 22.941 12.420 1.00 16.33 C ATOM 63 O CYS A 24 24.003 23.491 13.491 1.00 17.96 O ATOM 64 CB CYS A 24 22.792 24.612 10.959 1.00 18.28 C ATOM 65 SG CYS A 24 24.376 25.049 10.156 1.00 17.95 S ATOM 66 H CYS A 24 20.812 23.614 12.240 1.00 0.00 H ATOM 67 N ARG A 25 24.920 22.122 12.031 1.00 16.42 N ATOM 68 CA ARG A 25 26.043 21.823 12.897 1.00 18.76 C ATOM 69 C ARG A 25 26.907 23.074 13.168 1.00 19.19 C ATOM 70 O ARG A 25 27.605 23.180 14.209 1.00 20.77 O ATOM 71 CB ARG A 25 26.863 20.681 12.265 1.00 19.46 C ATOM 72 CG ARG A 25 28.170 20.381 12.862 1.00 20.97 C ATOM 73 CD ARG A 25 28.841 19.255 12.130 1.00 21.14 C ATOM 74 NE ARG A 25 30.113 19.044 12.730 1.00 21.27 N ATOM 75 CZ ARG A 25 30.992 18.147 12.340 1.00 22.25 C ATOM 76 NH1 ARG A 25 30.709 17.327 11.313 1.00 20.97 N ATOM 77 NH2 ARG A 25 32.119 18.074 12.990 1.00 23.81 N ATOM 78 HE ARG A 25 30.368 19.645 13.539 1.00 0.00 H ATOM 79 HH12 ARG A 25 31.406 16.618 11.006 1.00 0.00 H ATOM 80 HH11 ARG A 25 29.793 17.401 10.825 1.00 0.00 H ATOM 81 HH22 ARG A 25 32.837 17.376 12.709 1.00 0.00 H ATOM 82 HH21 ARG A 25 32.300 18.713 13.790 1.00 0.00 H ATOM 83 H ARG A 25 24.869 21.685 11.089 1.00 0.00 H ATOM 84 N GLN A 26 26.928 23.978 12.188 1.00 21.66 N ATOM 85 CA GLN A 26 27.776 25.147 12.294 1.00 23.82 C ATOM 86 C GLN A 26 27.242 26.256 13.165 1.00 23.63 C ATOM 87 O GLN A 26 28.057 27.036 13.675 1.00 24.54 O ATOM 88 CB GLN A 26 28.121 25.681 10.910 1.00 26.82 C ATOM 89 CG GLN A 26 28.933 24.681 10.122 1.00 30.37 C ATOM 90 CD GLN A 26 30.194 24.213 10.854 1.00 35.77 C ATOM 91 OE1 GLN A 26 30.426 22.994 11.063 1.00 38.48 O ATOM 92 NE2 GLN A 26 31.010 25.163 11.268 1.00 38.57 N ATOM 93 HE22 GLN A 26 30.786 26.161 11.077 1.00 0.00 H ATOM 94 HE21 GLN A 26 31.877 24.915 11.785 1.00 0.00 H ATOM 95 H GLN A 26 26.334 23.843 11.345 1.00 0.00 H ATOM 96 N CYS A 27 25.928 26.354 13.352 1.00 19.28 N ATOM 97 CA CYS A 27 25.370 27.478 14.079 1.00 21.28 C ATOM 98 C CYS A 27 24.197 27.181 14.953 1.00 20.96 C ATOM 99 O CYS A 27 23.826 28.006 15.768 1.00 23.48 O ATOM 100 CB CYS A 27 25.012 28.578 13.092 1.00 19.63 C ATOM 101 SG CYS A 27 23.518 28.249 12.119 1.00 19.10 S ATOM 102 H CYS A 27 25.297 25.619 12.974 1.00 0.00 H ATOM 103 N GLY A 28 23.526 26.032 14.760 1.00 18.57 N ATOM 104 CA GLY A 28 22.367 25.723 15.552 1.00 18.17 C ATOM 105 C GLY A 28 21.000 25.976 15.009 1.00 18.47 C ATOM 106 O GLY A 28 19.995 25.613 15.634 1.00 19.46 O ATOM 107 H GLY A 28 23.848 25.362 14.033 1.00 0.00 H ATOM 108 N GLN A 29 20.925 26.632 13.845 1.00 18.46 N ATOM 109 CA GLN A 29 19.666 26.846 13.176 1.00 17.50 C ATOM 110 C GLN A 29 18.801 25.563 13.139 1.00 18.31 C ATOM 111 O GLN A 29 19.286 24.508 12.768 1.00 17.97 O ATOM 112 CB GLN A 29 19.972 27.309 11.739 1.00 17.09 C ATOM 113 CG GLN A 29 18.766 27.480 10.845 1.00 16.53 C ATOM 114 CD GLN A 29 18.029 28.771 11.088 1.00 17.54 C ATOM 115 OE1 GLN A 29 17.884 29.230 12.224 1.00 19.21 O ATOM 116 NE2 GLN A 29 17.557 29.368 10.012 1.00 17.23 N ATOM 117 HE22 GLN A 29 17.704 28.943 9.074 1.00 0.00 H ATOM 118 HE21 GLN A 29 17.037 30.265 10.100 1.00 0.00 H ATOM 119 H GLN A 29 21.797 26.997 13.412 1.00 0.00 H ATOM 120 N THR A 30 17.523 25.657 13.479 1.00 19.02 N ATOM 121 CA THR A 30 16.628 24.500 13.363 1.00 20.60 C ATOM 122 C THR A 30 16.391 24.182 11.869 1.00 19.43 C ATOM 123 O THR A 30 16.011 25.070 11.136 1.00 20.24 O ATOM 124 CB THR A 30 15.289 24.783 14.036 1.00 25.26 C ATOM 125 OG1 THR A 30 15.510 25.380 15.328 1.00 33.33 O ATOM 126 CG2 THR A 30 14.574 23.536 14.246 1.00 26.44 C ATOM 127 HG1 THR A 30 14.638 25.561 15.760 1.00 0.00 H ATOM 128 H THR A 30 17.150 26.561 13.832 1.00 0.00 H ATOM 129 N ILE A 31 16.583 22.922 11.457 1.00 18.70 N ATOM 130 CA ILE A 31 16.483 22.528 10.035 1.00 18.26 C ATOM 131 C ILE A 31 15.439 21.446 9.759 1.00 19.06 C ATOM 132 O ILE A 31 14.584 21.625 8.902 1.00 19.76 O ATOM 133 CB ILE A 31 17.824 22.068 9.433 1.00 17.00 C ATOM 134 CG1 ILE A 31 18.920 23.097 9.630 1.00 17.56 C ATOM 135 CG2 ILE A 31 17.637 21.704 7.978 1.00 17.55 C ATOM 136 CD1 ILE A 31 18.695 24.386 8.901 1.00 16.92 C ATOM 137 H ILE A 31 16.811 22.194 12.163 1.00 0.00 H ATOM 138 N SER A 32 15.480 20.319 10.472 1.00 20.12 N ATOM 139 CA SER A 32 14.487 19.278 10.229 1.00 19.88 C ATOM 140 C SER A 32 14.250 18.373 11.452 1.00 21.04 C ATOM 141 O SER A 32 14.637 18.724 12.555 1.00 19.97 O ATOM 142 CB SER A 32 14.844 18.505 8.947 1.00 19.18 C ATOM 143 OG SER A 32 13.772 17.684 8.487 1.00 22.16 O ATOM 144 HG SER A 32 12.984 18.251 8.292 1.00 0.00 H ATOM 145 H SER A 32 16.214 20.184 11.196 1.00 0.00 H ATOM 146 N ARG A 33 13.548 17.243 11.252 1.00 22.78 N ATOM 147 CA ARG A 33 13.147 16.385 12.355 1.00 24.31 C ATOM 148 C ARG A 33 13.329 14.933 11.879 1.00 24.57 C ATOM 149 O ARG A 33 13.098 14.625 10.690 1.00 23.43 O ATOM 150 CB ARG A 33 11.659 16.598 12.706 1.00 28.47 C ATOM 151 CG ARG A 33 11.298 18.053 13.009 1.00 30.49 C ATOM 152 CD ARG A 33 9.856 18.104 13.551 1.00 35.53 C ATOM 153 NE ARG A 33 9.759 17.493 14.879 1.00 40.15 N ATOM 154 CZ ARG A 33 9.916 18.144 16.039 1.00 46.67 C ATOM 155 NH1 ARG A 33 10.196 19.446 16.059 1.00 50.35 N ATOM 156 NH2 ARG A 33 9.808 17.493 17.199 1.00 49.46 N ATOM 157 HE ARG A 33 9.552 16.475 14.925 1.00 0.00 H ATOM 158 HH12 ARG A 33 10.315 19.938 16.967 1.00 0.00 H ATOM 159 HH11 ARG A 33 10.295 19.970 15.166 1.00 0.00 H ATOM 160 HH22 ARG A 33 9.931 18.005 18.096 1.00 0.00 H ATOM 161 HH21 ARG A 33 9.601 16.474 17.206 1.00 0.00 H ATOM 162 H ARG A 33 13.285 16.976 10.282 1.00 0.00 H ATOM 163 N ARG A 34 13.632 14.041 12.811 1.00 25.85 N ATOM 164 CA ARG A 34 13.762 12.634 12.477 1.00 27.85 C ATOM 165 C ARG A 34 12.429 12.068 11.919 1.00 29.13 C ATOM 166 O ARG A 34 12.424 11.222 11.011 1.00 28.78 O ATOM 167 CB ARG A 34 14.265 11.846 13.684 1.00 31.41 C ATOM 168 CG ARG A 34 14.146 10.336 13.546 1.00 35.48 C ATOM 169 CD ARG A 34 15.054 9.579 14.516 1.00 39.08 C ATOM 170 NE ARG A 34 16.472 9.890 14.253 1.00 38.46 N ATOM 171 CZ ARG A 34 17.258 9.266 13.374 1.00 39.99 C ATOM 172 NH1 ARG A 34 16.831 8.220 12.662 1.00 43.25 N ATOM 173 NH2 ARG A 34 18.509 9.661 13.227 1.00 39.18 N ATOM 174 HE ARG A 34 16.897 10.665 14.802 1.00 0.00 H ATOM 175 HH12 ARG A 34 17.470 7.756 11.985 1.00 0.00 H ATOM 176 HH11 ARG A 34 15.860 7.869 12.785 1.00 0.00 H ATOM 177 HH22 ARG A 34 19.129 9.181 12.544 1.00 0.00 H ATOM 178 HH21 ARG A 34 18.874 10.453 13.794 1.00 0.00 H ATOM 179 H ARG A 34 13.778 14.352 13.793 1.00 0.00 H ATOM 180 N ASP A 35 11.324 12.591 12.431 1.00 30.09 N ATOM 181 CA ASP A 35 10.005 12.193 11.993 1.00 32.56 C ATOM 182 C ASP A 35 9.728 12.488 10.544 1.00 30.08 C ATOM 183 O ASP A 35 8.776 11.916 9.981 1.00 30.27 O ATOM 184 CB ASP A 35 8.922 12.872 12.850 1.00 34.91 C ATOM 185 CG ASP A 35 8.778 12.255 14.205 1.00 39.46 C ATOM 186 OD1 ASP A 35 9.272 11.135 14.468 1.00 44.02 O ATOM 187 OD2 ASP A 35 8.085 12.862 15.015 1.00 43.42 O ATOM 188 H ASP A 35 11.409 13.313 13.174 1.00 0.00 H ATOM 189 N TRP A 36 10.518 13.373 9.958 1.00 27.06 N ATOM 190 CA TRP A 36 10.317 13.811 8.592 1.00 26.62 C ATOM 191 C TRP A 36 11.279 13.164 7.607 1.00 25.86 C ATOM 192 O TRP A 36 11.296 13.555 6.445 1.00 24.26 O ATOM 193 CB TRP A 36 10.467 15.331 8.485 1.00 25.61 C ATOM 194 CG TRP A 36 9.494 16.092 9.268 1.00 28.13 C ATOM 195 CD1 TRP A 36 8.342 15.644 9.801 1.00 30.61 C ATOM 196 CD2 TRP A 36 9.558 17.487 9.556 1.00 28.02 C ATOM 197 NE1 TRP A 36 7.670 16.668 10.426 1.00 32.90 N ATOM 198 CE2 TRP A 36 8.402 17.811 10.297 1.00 29.97 C ATOM 199 CE3 TRP A 36 10.477 18.485 9.282 1.00 27.91 C ATOM 200 CZ2 TRP A 36 8.145 19.104 10.765 1.00 32.18 C ATOM 201 CZ3 TRP A 36 10.218 19.780 9.720 1.00 28.83 C ATOM 202 CH2 TRP A 36 9.053 20.075 10.461 1.00 29.40 C ATOM 203 HE1 TRP A 36 6.756 16.585 10.915 1.00 0.00 H ATOM 204 H TRP A 36 11.313 13.769 10.499 1.00 0.00 H ATOM 205 N LEU A 37 12.047 12.189 8.064 1.00 27.42 N ATOM 206 CA LEU A 37 12.870 11.381 7.153 1.00 27.32 C ATOM 207 C LEU A 37 11.984 10.649 6.140 1.00 28.94 C ATOM 208 O LEU A 37 10.878 10.214 6.448 1.00 28.63 O ATOM 209 CB LEU A 37 13.722 10.381 7.914 1.00 30.22 C ATOM 210 CG LEU A 37 14.960 10.995 8.573 1.00 28.81 C ATOM 211 CD1 LEU A 37 15.479 9.957 9.557 1.00 31.69 C ATOM 212 CD2 LEU A 37 15.988 11.335 7.506 1.00 28.31 C ATOM 213 H LEU A 37 12.069 11.991 9.085 1.00 0.00 H ATOM 214 N LEU A 38 12.480 10.573 4.915 1.00 29.00 N ATOM 215 CA LEU A 38 11.732 10.061 3.773 1.00 32.58 C ATOM 216 C LEU A 38 12.515 8.974 3.063 1.00 36.46 C ATOM 217 O LEU A 38 13.540 9.273 2.436 1.00 32.86 O ATOM 218 CB LEU A 38 11.524 11.195 2.782 1.00 31.79 C ATOM 219 CG LEU A 38 10.955 10.813 1.429 1.00 35.70 C ATOM 220 CD1 LEU A 38 9.544 10.267 1.586 1.00 38.99 C ATOM 221 CD2 LEU A 38 11.003 11.984 0.470 1.00 36.18 C ATOM 222 H LEU A 38 13.456 10.896 4.759 1.00 0.00 H ATOM 223 N PRO A 39 12.090 7.713 3.201 1.00 41.00 N ATOM 224 CA PRO A 39 12.665 6.661 2.360 1.00 44.05 C ATOM 225 C PRO A 39 12.361 6.872 0.877 1.00 45.10 C ATOM 226 O PRO A 39 11.217 6.690 0.463 1.00 48.66 O ATOM 227 CB PRO A 39 11.975 5.397 2.869 1.00 46.52 C ATOM 228 CG PRO A 39 11.686 5.687 4.304 1.00 46.35 C ATOM 229 CD PRO A 39 11.338 7.154 4.341 1.00 44.00 C ATOM 230 N MET A 40 13.368 7.309 0.121 1.00 44.85 N ATOM 231 CA MET A 40 13.290 7.457 -1.356 1.00 46.91 C ATOM 232 C MET A 40 13.955 6.255 -2.005 1.00 50.59 C ATOM 233 O MET A 40 15.123 5.965 -1.743 1.00 50.29 O ATOM 234 CB MET A 40 14.047 8.702 -1.842 1.00 46.90 C ATOM 235 CG MET A 40 13.357 10.047 -1.630 1.00 47.07 C ATOM 236 SD MET A 40 11.981 10.348 -2.777 1.00 51.86 S ATOM 237 CE MET A 40 12.748 9.925 -4.341 1.00 46.65 C ATOM 238 H MET A 40 14.260 7.561 0.592 1.00 0.00 H ATOM 239 N GLY A 41 13.233 5.556 -2.872 1.00 51.14 N ATOM 240 CA GLY A 41 13.766 4.344 -3.451 1.00 51.99 C ATOM 241 C GLY A 41 14.034 3.244 -2.433 1.00 54.08 C ATOM 242 O GLY A 41 14.758 2.303 -2.742 1.00 53.92 O ATOM 243 H GLY A 41 12.281 5.881 -3.135 1.00 0.00 H ATOM 244 N GLY A 42 13.457 3.342 -1.227 1.00 52.31 N ATOM 245 CA GLY A 42 13.627 2.300 -0.192 1.00 53.93 C ATOM 246 C GLY A 42 14.526 2.619 1.007 1.00 51.86 C ATOM 247 O GLY A 42 14.482 1.924 2.015 1.00 53.02 O ATOM 248 H GLY A 42 12.873 4.175 -1.013 1.00 0.00 H ATOM 249 N ASP A 43 15.353 3.654 0.895 1.00 50.47 N ATOM 250 CA ASP A 43 16.257 4.075 1.986 1.00 48.68 C ATOM 251 C ASP A 43 16.187 5.589 2.091 1.00 43.18 C ATOM 252 O ASP A 43 16.135 6.265 1.066 1.00 44.29 O ATOM 253 CB ASP A 43 17.709 3.677 1.667 1.00 49.79 C ATOM 254 CG ASP A 43 18.621 3.612 2.924 1.00 52.57 C ATOM 255 OD1 ASP A 43 18.435 4.383 3.895 1.00 50.00 O ATOM 256 OD2 ASP A 43 19.542 2.763 2.927 1.00 56.83 O ATOM 257 H ASP A 43 15.364 4.189 0.003 1.00 0.00 H ATOM 258 N HIS A 44 16.230 6.132 3.305 1.00 41.69 N ATOM 259 CA HIS A 44 16.323 7.591 3.451 1.00 38.53 C ATOM 260 C HIS A 44 17.775 8.058 3.183 1.00 35.42 C ATOM 261 O HIS A 44 17.978 9.217 2.916 1.00 33.10 O ATOM 262 CB HIS A 44 15.802 8.101 4.826 1.00 38.18 C ATOM 263 CG HIS A 44 16.608 7.634 6.002 1.00 39.44 C ATOM 264 ND1 HIS A 44 16.178 6.645 6.860 1.00 45.62 N ATOM 265 CD2 HIS A 44 17.816 8.033 6.470 1.00 40.30 C ATOM 266 CE1 HIS A 44 17.096 6.438 7.791 1.00 46.36 C ATOM 267 NE2 HIS A 44 18.095 7.276 7.579 1.00 42.90 N ATOM 268 H HIS A 44 16.198 5.525 4.149 1.00 0.00 H ATOM 269 N GLU A 45 18.751 7.138 3.210 1.00 35.05 N ATOM 270 CA GLU A 45 20.167 7.465 2.968 1.00 34.77 C ATOM 271 C GLU A 45 20.638 7.115 1.538 1.00 36.28 C ATOM 272 O GLU A 45 20.430 5.985 1.085 1.00 37.02 O ATOM 273 CB GLU A 45 21.062 6.699 3.957 1.00 37.05 C ATOM 274 CG GLU A 45 22.521 7.102 3.877 1.00 38.26 C ATOM 275 CD GLU A 45 23.342 6.504 5.007 1.00 42.41 C ATOM 276 OE1 GLU A 45 23.600 7.210 6.002 1.00 44.66 O ATOM 277 OE2 GLU A 45 23.714 5.309 4.935 1.00 45.90 O ATOM 278 H GLU A 45 18.497 6.150 3.411 1.00 0.00 H ATOM 279 N HIS A 46 21.290 8.077 0.876 1.00 34.53 N ATOM 280 CA HIS A 46 21.844 7.935 -0.470 1.00 34.15 C ATOM 281 C HIS A 46 23.241 8.551 -0.563 1.00 32.47 C ATOM 282 O HIS A 46 23.430 9.689 -0.175 1.00 30.57 O ATOM 283 CB HIS A 46 20.933 8.647 -1.443 1.00 35.59 C ATOM 284 CG HIS A 46 19.594 7.991 -1.615 1.00 40.12 C ATOM 285 ND1 HIS A 46 19.270 7.239 -2.726 1.00 43.72 N ATOM 286 CD2 HIS A 46 18.496 7.980 -0.819 1.00 40.64 C ATOM 287 CE1 HIS A 46 18.026 6.800 -2.610 1.00 44.72 C ATOM 288 NE2 HIS A 46 17.533 7.241 -1.464 1.00 42.39 N ATOM 289 H HIS A 46 21.412 8.993 1.353 1.00 0.00 H ATOM 290 N VAL A 47 24.231 7.825 -1.079 1.00 32.39 N ATOM 291 CA VAL A 47 25.589 8.369 -1.163 1.00 31.15 C ATOM 292 C VAL A 47 25.961 8.616 -2.612 1.00 30.09 C ATOM 293 O VAL A 47 25.820 7.763 -3.437 1.00 31.20 O ATOM 294 CB VAL A 47 26.626 7.430 -0.529 1.00 35.52 C ATOM 295 CG1 VAL A 47 28.030 8.047 -0.533 1.00 36.30 C ATOM 296 CG2 VAL A 47 26.253 7.102 0.907 1.00 37.02 C ATOM 297 H VAL A 47 24.039 6.863 -1.425 1.00 0.00 H ATOM 298 N VAL A 48 26.437 9.816 -2.892 1.00 29.64 N ATOM 299 CA VAL A 48 26.487 10.333 -4.245 1.00 29.77 C ATOM 300 C VAL A 48 27.754 11.145 -4.377 1.00 29.27 C ATOM 301 O VAL A 48 28.306 11.558 -3.371 1.00 29.34 O ATOM 302 CB VAL A 48 25.279 11.238 -4.500 1.00 28.60 C ATOM 303 CG1 VAL A 48 24.009 10.402 -4.461 1.00 30.09 C ATOM 304 CG2 VAL A 48 25.179 12.376 -3.479 1.00 27.67 C ATOM 305 H VAL A 48 26.788 10.411 -2.114 1.00 0.00 H ATOM 306 N PHE A 49 28.185 11.395 -5.599 1.00 29.65 N ATOM 307 CA PHE A 49 29.269 12.314 -5.845 1.00 30.78 C ATOM 308 C PHE A 49 28.866 13.357 -6.838 1.00 30.27 C ATOM 309 O PHE A 49 28.133 13.088 -7.795 1.00 30.40 O ATOM 310 CB PHE A 49 30.477 11.608 -6.466 1.00 36.98 C ATOM 311 CG PHE A 49 30.941 10.438 -5.698 1.00 41.12 C ATOM 312 CD1 PHE A 49 30.319 9.227 -5.853 1.00 43.41 C ATOM 313 CD2 PHE A 49 32.062 10.519 -4.888 1.00 43.59 C ATOM 314 CE1 PHE A 49 30.775 8.113 -5.182 1.00 45.67 C ATOM 315 CE2 PHE A 49 32.517 9.405 -4.206 1.00 46.29 C ATOM 316 CZ PHE A 49 31.865 8.201 -4.348 1.00 46.54 C ATOM 317 H PHE A 49 27.732 10.918 -6.404 1.00 0.00 H ATOM 318 N ASN A 50 29.347 14.554 -6.631 1.00 30.33 N ATOM 319 CA ASN A 50 29.252 15.567 -7.689 1.00 31.89 C ATOM 320 C ASN A 50 30.384 15.500 -8.751 1.00 33.62 C ATOM 321 O ASN A 50 31.326 14.687 -8.667 1.00 34.93 O ATOM 322 CB ASN A 50 29.066 16.940 -7.025 1.00 29.51 C ATOM 323 CG ASN A 50 30.327 17.474 -6.411 1.00 29.88 C ATOM 324 OD1 ASN A 50 31.433 16.896 -6.570 1.00 30.88 O ATOM 325 ND2 ASN A 50 30.181 18.585 -5.694 1.00 28.16 N ATOM 326 HD22 ASN A 50 29.242 19.021 -5.596 1.00 0.00 H ATOM 327 HD21 ASN A 50 31.006 19.018 -5.232 1.00 0.00 H ATOM 328 H ASN A 50 29.795 14.788 -5.722 1.00 0.00 H ATOM 329 N PRO A 51 30.285 16.327 -9.817 1.00 35.12 N ATOM 330 CA PRO A 51 31.307 16.274 -10.853 1.00 37.45 C ATOM 331 C PRO A 51 32.728 16.602 -10.372 1.00 37.91 C ATOM 332 O PRO A 51 33.703 16.187 -11.008 1.00 41.21 O ATOM 333 CB PRO A 51 30.808 17.285 -11.896 1.00 38.77 C ATOM 334 CG PRO A 51 29.314 17.335 -11.707 1.00 35.98 C ATOM 335 CD PRO A 51 29.074 17.076 -10.257 1.00 34.23 C ATOM 336 N ALA A 52 32.840 17.317 -9.267 1.00 36.12 N ATOM 337 CA ALA A 52 34.151 17.551 -8.637 1.00 38.96 C ATOM 338 C ALA A 52 34.620 16.394 -7.747 1.00 39.50 C ATOM 339 O ALA A 52 35.649 16.546 -7.065 1.00 38.77 O ATOM 340 CB ALA A 52 34.117 18.829 -7.806 1.00 37.68 C ATOM 341 H ALA A 52 31.986 17.723 -8.833 1.00 0.00 H ATOM 342 N GLY A 53 33.903 15.270 -7.740 1.00 36.55 N ATOM 343 CA GLY A 53 34.306 14.092 -6.985 1.00 37.12 C ATOM 344 C GLY A 53 34.021 14.096 -5.492 1.00 35.30 C ATOM 345 O GLY A 53 34.417 13.171 -4.775 1.00 36.25 O ATOM 346 H GLY A 53 33.024 15.233 -8.294 1.00 0.00 H ATOM 347 N MET A 54 33.379 15.144 -4.998 1.00 33.76 N ATOM 348 CA MET A 54 33.033 15.215 -3.577 1.00 34.39 C ATOM 349 C MET A 54 31.946 14.210 -3.295 1.00 33.81 C ATOM 350 O MET A 54 30.933 14.163 -4.051 1.00 30.17 O ATOM 351 CB MET A 54 32.554 16.596 -3.235 1.00 36.64 C ATOM 352 CG MET A 54 33.579 17.665 -3.525 1.00 43.29 C ATOM 353 SD MET A 54 32.768 19.220 -3.174 1.00 52.48 S ATOM 354 CE MET A 54 32.490 18.987 -1.414 1.00 42.95 C ATOM 355 H MET A 54 33.117 15.928 -5.629 1.00 0.00 H ATOM 356 N ILE A 55 32.153 13.393 -2.258 1.00 32.74 N ATOM 357 CA ILE A 55 31.158 12.417 -1.826 1.00 33.11 C ATOM 358 C ILE A 55 30.248 13.063 -0.797 1.00 31.38 C ATOM 359 O ILE A 55 30.705 13.853 0.054 1.00 30.89 O ATOM 360 CB ILE A 55 31.787 11.107 -1.254 1.00 36.04 C ATOM 361 CG1 ILE A 55 30.722 10.046 -1.083 1.00 36.28 C ATOM 362 CG2 ILE A 55 32.429 11.308 0.105 1.00 38.91 C ATOM 363 CD1 ILE A 55 31.243 8.719 -0.602 1.00 40.51 C ATOM 364 H ILE A 55 33.054 13.455 -1.741 1.00 0.00 H ATOM 365 N PHE A 56 28.949 12.795 -0.885 1.00 28.14 N ATOM 366 CA PHE A 56 27.978 13.307 0.110 1.00 27.51 C ATOM 367 C PHE A 56 27.103 12.155 0.598 1.00 27.97 C ATOM 368 O PHE A 56 26.649 11.313 -0.200 1.00 28.56 O ATOM 369 CB PHE A 56 27.073 14.338 -0.511 1.00 25.51 C ATOM 370 CG PHE A 56 27.784 15.532 -1.067 1.00 26.92 C ATOM 371 CD1 PHE A 56 28.184 16.552 -0.246 1.00 26.62 C ATOM 372 CD2 PHE A 56 28.092 15.613 -2.419 1.00 27.20 C ATOM 373 CE1 PHE A 56 28.827 17.666 -0.749 1.00 27.97 C ATOM 374 CE2 PHE A 56 28.730 16.736 -2.929 1.00 27.79 C ATOM 375 CZ PHE A 56 29.084 17.770 -2.098 1.00 26.45 C ATOM 376 H PHE A 56 28.605 12.210 -1.673 1.00 0.00 H ATOM 377 N ARG A 57 26.878 12.089 1.906 1.00 27.85 N ATOM 378 CA ARG A 57 25.980 11.091 2.491 1.00 29.08 C ATOM 379 C ARG A 57 24.695 11.859 2.690 1.00 26.17 C ATOM 380 O ARG A 57 24.616 12.702 3.606 1.00 26.70 O ATOM 381 CB ARG A 57 26.494 10.611 3.828 1.00 33.58 C ATOM 382 CG ARG A 57 25.616 9.534 4.464 1.00 39.82 C ATOM 383 CD ARG A 57 25.878 9.365 5.968 1.00 44.59 C ATOM 384 NE ARG A 57 27.143 8.704 6.332 1.00 49.45 N ATOM 385 CZ ARG A 57 27.382 7.394 6.253 1.00 55.69 C ATOM 386 NH1 ARG A 57 26.470 6.559 5.772 1.00 60.15 N ATOM 387 NH2 ARG A 57 28.556 6.910 6.637 1.00 57.97 N ATOM 388 HE ARG A 57 27.914 9.309 6.680 1.00 0.00 H ATOM 389 HH12 ARG A 57 26.674 5.541 5.718 1.00 0.00 H ATOM 390 HH11 ARG A 57 25.551 6.923 5.449 1.00 0.00 H ATOM 391 HH22 ARG A 57 28.743 5.889 6.576 1.00 0.00 H ATOM 392 HH21 ARG A 57 29.290 7.552 6.999 1.00 0.00 H ATOM 393 H ARG A 57 27.355 12.767 2.534 1.00 0.00 H ATOM 394 N VAL A 58 23.748 11.659 1.800 1.00 25.12 N ATOM 395 CA VAL A 58 22.528 12.467 1.761 1.00 22.84 C ATOM 396 C VAL A 58 21.403 11.704 2.466 1.00 23.77 C ATOM 397 O VAL A 58 21.124 10.543 2.152 1.00 25.53 O ATOM 398 CB VAL A 58 22.122 12.744 0.326 1.00 23.76 C ATOM 399 CG1 VAL A 58 20.806 13.480 0.216 1.00 24.17 C ATOM 400 CG2 VAL A 58 23.210 13.526 -0.384 1.00 25.19 C ATOM 401 H VAL A 58 23.870 10.900 1.099 1.00 0.00 H ATOM 402 N TRP A 59 20.745 12.401 3.384 1.00 21.52 N ATOM 403 CA TRP A 59 19.512 11.934 4.026 1.00 22.00 C ATOM 404 C TRP A 59 18.350 12.708 3.382 1.00 21.38 C ATOM 405 O TRP A 59 18.403 13.926 3.273 1.00 20.04 O ATOM 406 CB TRP A 59 19.593 12.143 5.544 1.00 22.97 C ATOM 407 CG TRP A 59 20.345 11.032 6.235 1.00 27.50 C ATOM 408 CD1 TRP A 59 21.199 10.138 5.639 1.00 28.95 C ATOM 409 CD2 TRP A 59 20.324 10.674 7.620 1.00 30.47 C ATOM 410 NE1 TRP A 59 21.678 9.246 6.552 1.00 32.12 N ATOM 411 CE2 TRP A 59 21.156 9.542 7.775 1.00 33.17 C ATOM 412 CE3 TRP A 59 19.647 11.163 8.731 1.00 34.88 C ATOM 413 CZ2 TRP A 59 21.349 8.900 9.005 1.00 37.56 C ATOM 414 CZ3 TRP A 59 19.830 10.536 9.958 1.00 36.55 C ATOM 415 CH2 TRP A 59 20.694 9.421 10.090 1.00 39.63 C ATOM 416 HE1 TRP A 59 22.335 8.466 6.348 1.00 0.00 H ATOM 417 H TRP A 59 21.124 13.328 3.663 1.00 0.00 H ATOM 418 N CYS A 60 17.332 11.966 2.931 1.00 22.45 N ATOM 419 CA CYS A 60 16.153 12.562 2.325 1.00 22.61 C ATOM 420 C CYS A 60 15.110 12.827 3.408 1.00 22.01 C ATOM 421 O CYS A 60 14.836 11.975 4.261 1.00 23.98 O ATOM 422 CB CYS A 60 15.573 11.648 1.244 1.00 24.61 C ATOM 423 SG CYS A 60 16.723 11.383 -0.095 1.00 28.51 S ATOM 424 H CYS A 60 17.386 10.931 3.017 1.00 0.00 H ATOM 425 N PHE A 61 14.566 14.041 3.357 1.00 20.64 N ATOM 426 CA PHE A 61 13.541 14.522 4.283 1.00 21.54 C ATOM 427 C PHE A 61 12.393 15.045 3.456 1.00 21.66 C ATOM 428 O PHE A 61 12.578 15.674 2.403 1.00 22.65 O ATOM 429 CB PHE A 61 14.087 15.689 5.118 1.00 20.35 C ATOM 430 CG PHE A 61 15.111 15.304 6.115 1.00 20.32 C ATOM 431 CD1 PHE A 61 16.453 15.309 5.793 1.00 20.04 C ATOM 432 CD2 PHE A 61 14.745 14.975 7.416 1.00 20.69 C ATOM 433 CE1 PHE A 61 17.407 14.989 6.761 1.00 19.95 C ATOM 434 CE2 PHE A 61 15.692 14.697 8.379 1.00 22.44 C ATOM 435 CZ PHE A 61 17.034 14.672 8.049 1.00 20.52 C ATOM 436 H PHE A 61 14.891 14.689 2.611 1.00 0.00 H ATOM 437 N SER A 62 11.169 14.735 3.876 1.00 22.63 N ATOM 438 CA SER A 62 10.033 15.295 3.184 1.00 23.60 C ATOM 439 C SER A 62 9.868 16.800 3.377 1.00 23.91 C ATOM 440 O SER A 62 9.249 17.471 2.548 1.00 23.90 O ATOM 441 CB SER A 62 8.770 14.598 3.638 1.00 25.06 C ATOM 442 OG SER A 62 8.807 13.235 3.328 1.00 25.21 O ATOM 443 HG SER A 62 7.970 12.805 3.636 1.00 0.00 H ATOM 444 H SER A 62 11.033 14.100 4.689 1.00 0.00 H ATOM 445 N LEU A 63 10.406 17.311 4.488 1.00 23.95 N ATOM 446 CA LEU A 63 10.237 18.671 4.929 1.00 23.75 C ATOM 447 C LEU A 63 11.491 19.148 5.653 1.00 22.61 C ATOM 448 O LEU A 63 12.197 18.356 6.295 1.00 21.95 O ATOM 449 CB LEU A 63 9.064 18.644 5.904 1.00 27.72 C ATOM 450 CG LEU A 63 8.497 19.928 6.487 1.00 29.06 C ATOM 451 CD1 LEU A 63 8.119 20.886 5.385 1.00 31.36 C ATOM 452 CD2 LEU A 63 7.291 19.551 7.302 1.00 32.26 C ATOM 453 H LEU A 63 10.988 16.681 5.076 1.00 0.00 H ATOM 454 N ALA A 64 11.757 20.441 5.542 1.00 21.90 N ATOM 455 CA ALA A 64 12.850 21.114 6.254 1.00 21.06 C ATOM 456 C ALA A 64 12.491 22.573 6.338 1.00 21.56 C ATOM 457 O ALA A 64 11.586 23.037 5.642 1.00 23.00 O ATOM 458 CB ALA A 64 14.202 20.904 5.568 1.00 19.99 C ATOM 459 H ALA A 64 11.157 21.012 4.914 1.00 0.00 H ATOM 460 N GLN A 65 13.127 23.273 7.256 1.00 20.28 N ATOM 461 CA GLN A 65 12.928 24.682 7.475 1.00 21.50 C ATOM 462 C GLN A 65 14.289 25.327 7.724 1.00 20.03 C ATOM 463 O GLN A 65 15.300 24.634 7.859 1.00 18.53 O ATOM 464 CB GLN A 65 12.000 24.849 8.701 1.00 24.95 C ATOM 465 CG GLN A 65 12.582 24.278 9.997 1.00 27.77 C ATOM 466 CD GLN A 65 11.656 24.364 11.205 1.00 34.67 C ATOM 467 OE1 GLN A 65 11.050 23.387 11.605 1.00 43.13 O ATOM 468 NE2 GLN A 65 11.560 25.523 11.786 1.00 40.59 N ATOM 469 HE22 GLN A 65 12.093 26.336 11.416 1.00 0.00 H ATOM 470 HE21 GLN A 65 10.950 25.637 12.621 1.00 0.00 H ATOM 471 H GLN A 65 13.814 22.777 7.859 1.00 0.00 H ATOM 472 N GLY A 66 14.311 26.647 7.790 1.00 18.99 N ATOM 473 CA GLY A 66 15.510 27.401 8.178 1.00 19.74 C ATOM 474 C GLY A 66 16.603 27.432 7.139 1.00 19.40 C ATOM 475 O GLY A 66 17.747 27.782 7.448 1.00 21.08 O ATOM 476 H GLY A 66 13.444 27.173 7.558 1.00 0.00 H ATOM 477 N LEU A 67 16.255 27.011 5.926 1.00 19.08 N ATOM 478 CA LEU A 67 17.178 27.000 4.811 1.00 18.98 C ATOM 479 C LEU A 67 16.954 28.230 3.971 1.00 20.60 C ATOM 480 O LEU A 67 15.992 28.963 4.167 1.00 22.28 O ATOM 481 CB LEU A 67 16.994 25.724 3.949 1.00 18.19 C ATOM 482 CG LEU A 67 17.244 24.432 4.699 1.00 18.74 C ATOM 483 CD1 LEU A 67 16.592 23.301 3.905 1.00 20.14 C ATOM 484 CD2 LEU A 67 18.743 24.178 4.969 1.00 18.89 C ATOM 485 H LEU A 67 15.282 26.677 5.773 1.00 0.00 H ATOM 486 N ARG A 68 17.875 28.484 3.056 1.00 21.23 N ATOM 487 CA ARG A 68 17.704 29.487 2.006 1.00 23.41 C ATOM 488 C ARG A 68 18.022 28.767 0.702 1.00 24.17 C ATOM 489 O ARG A 68 19.128 28.264 0.530 1.00 21.77 O ATOM 490 CB ARG A 68 18.634 30.675 2.208 1.00 26.10 C ATOM 491 CG ARG A 68 18.445 31.814 1.249 1.00 33.78 C ATOM 492 CD ARG A 68 19.060 33.087 1.809 1.00 37.68 C ATOM 493 NE ARG A 68 20.474 32.860 2.028 1.00 41.10 N ATOM 494 CZ ARG A 68 21.410 32.973 1.102 1.00 46.97 C ATOM 495 NH1 ARG A 68 21.105 33.348 -0.128 1.00 53.28 N ATOM 496 NH2 ARG A 68 22.674 32.738 1.423 1.00 53.61 N ATOM 497 HE ARG A 68 20.775 32.588 2.986 1.00 0.00 H ATOM 498 HH12 ARG A 68 21.852 33.433 -0.846 1.00 0.00 H ATOM 499 HH11 ARG A 68 20.118 33.559 -0.378 1.00 0.00 H ATOM 500 HH22 ARG A 68 23.418 32.824 0.702 1.00 0.00 H ATOM 501 HH21 ARG A 68 22.922 32.467 2.396 1.00 0.00 H ATOM 502 H ARG A 68 18.763 27.944 3.085 1.00 0.00 H ATOM 503 N LEU A 69 17.029 28.720 -0.196 1.00 24.23 N ATOM 504 CA LEU A 69 17.150 28.012 -1.481 1.00 27.38 C ATOM 505 C LEU A 69 17.643 28.980 -2.505 1.00 29.48 C ATOM 506 O LEU A 69 17.022 30.055 -2.719 1.00 32.91 O ATOM 507 CB LEU A 69 15.812 27.390 -1.894 1.00 26.64 C ATOM 508 CG LEU A 69 15.184 26.494 -0.834 1.00 27.73 C ATOM 509 CD1 LEU A 69 13.855 25.923 -1.300 1.00 29.35 C ATOM 510 CD2 LEU A 69 16.127 25.407 -0.392 1.00 25.94 C ATOM 511 H LEU A 69 16.135 29.204 0.024 1.00 0.00 H ATOM 512 N ILE A 70 18.738 28.619 -3.160 1.00 30.03 N ATOM 513 CA ILE A 70 19.509 29.542 -3.977 1.00 33.04 C ATOM 514 C ILE A 70 19.220 29.340 -5.464 1.00 33.31 C ATOM 515 O ILE A 70 19.277 28.224 -5.960 1.00 30.80 O ATOM 516 CB ILE A 70 21.015 29.340 -3.780 1.00 34.50 C ATOM 517 CG1 ILE A 70 21.366 29.444 -2.306 1.00 36.21 C ATOM 518 CG2 ILE A 70 21.799 30.364 -4.575 1.00 39.68 C ATOM 519 CD1 ILE A 70 20.764 30.649 -1.632 1.00 35.96 C ATOM 520 H ILE A 70 19.059 27.633 -3.086 1.00 0.00 H ATOM 521 N GLY A 71 18.872 30.431 -6.145 1.00 36.05 N ATOM 522 CA GLY A 71 18.732 30.425 -7.599 1.00 37.37 C ATOM 523 C GLY A 71 17.517 29.676 -8.067 1.00 38.38 C ATOM 524 O GLY A 71 16.542 29.475 -7.317 1.00 39.08 O ATOM 525 H GLY A 71 18.695 31.314 -5.625 1.00 0.00 H ATOM 526 N ALA A 72 17.588 29.225 -9.309 1.00 39.32 N ATOM 527 CA ALA A 72 16.502 28.526 -9.943 1.00 37.67 C ATOM 528 C ALA A 72 16.939 27.067 -10.152 1.00 35.42 C ATOM 529 O ALA A 72 18.143 26.783 -10.266 1.00 37.42 O ATOM 530 CB ALA A 72 16.164 29.193 -11.259 1.00 39.35 C ATOM 531 H ALA A 72 18.463 29.382 -9.848 1.00 0.00 H ATOM 532 N PRO A 73 15.971 26.153 -10.247 1.00 32.65 N ATOM 533 CA PRO A 73 16.310 24.726 -10.342 1.00 29.49 C ATOM 534 C PRO A 73 17.064 24.324 -11.568 1.00 29.08 C ATOM 535 O PRO A 73 16.944 24.942 -12.653 1.00 32.28 O ATOM 536 CB PRO A 73 14.947 24.011 -10.289 1.00 30.15 C ATOM 537 CG PRO A 73 13.985 25.048 -9.851 1.00 31.62 C ATOM 538 CD PRO A 73 14.514 26.376 -10.265 1.00 33.28 C ATOM 539 N SER A 74 17.796 23.232 -11.432 1.00 27.17 N ATOM 540 CA SER A 74 18.549 22.721 -12.523 1.00 27.82 C ATOM 541 C SER A 74 18.413 21.210 -12.525 1.00 26.54 C ATOM 542 O SER A 74 18.462 20.606 -11.474 1.00 26.23 O ATOM 543 CB SER A 74 20.027 23.081 -12.383 1.00 27.85 C ATOM 544 OG SER A 74 20.738 22.552 -13.503 1.00 31.48 O ATOM 545 HG SER A 74 21.698 22.781 -13.421 1.00 0.00 H ATOM 546 H SER A 74 17.821 22.741 -10.516 1.00 0.00 H ATOM 547 N GLY A 75 18.309 20.619 -13.685 1.00 26.87 N ATOM 548 CA GLY A 75 18.323 19.137 -13.829 1.00 27.75 C ATOM 549 C GLY A 75 19.722 18.563 -14.032 1.00 30.23 C ATOM 550 O GLY A 75 19.915 17.363 -14.027 1.00 29.21 O ATOM 551 H GLY A 75 18.213 21.205 -14.539 1.00 0.00 H ATOM 552 N GLU A 76 20.709 19.427 -14.209 1.00 33.50 N ATOM 553 CA GLU A 76 22.066 18.962 -14.578 1.00 36.46 C ATOM 554 C GLU A 76 22.657 18.130 -13.447 1.00 32.49 C ATOM 555 O GLU A 76 22.679 18.558 -12.293 1.00 30.97 O ATOM 556 CB GLU A 76 22.964 20.157 -14.864 1.00 40.39 C ATOM 557 CG GLU A 76 22.623 20.842 -16.171 1.00 47.51 C ATOM 558 CD GLU A 76 23.545 22.008 -16.483 1.00 56.21 C ATOM 559 OE1 GLU A 76 24.399 22.345 -15.625 1.00 62.27 O ATOM 560 OE2 GLU A 76 23.409 22.584 -17.590 1.00 62.18 O ATOM 561 H GLU A 76 20.530 20.444 -14.088 1.00 0.00 H ATOM 562 N PHE A 77 23.100 16.917 -13.792 1.00 35.34 N ATOM 563 CA PHE A 77 23.762 15.994 -12.848 1.00 33.90 C ATOM 564 C PHE A 77 22.863 15.558 -11.697 1.00 31.07 C ATOM 565 O PHE A 77 23.352 15.095 -10.650 1.00 31.38 O ATOM 566 CB PHE A 77 25.063 16.604 -12.280 1.00 34.87 C ATOM 567 CG PHE A 77 26.020 17.096 -13.337 1.00 37.97 C ATOM 568 CD1 PHE A 77 26.602 16.214 -14.201 1.00 41.47 C ATOM 569 CD2 PHE A 77 26.315 18.448 -13.454 1.00 39.88 C ATOM 570 CE1 PHE A 77 27.480 16.641 -15.181 1.00 45.94 C ATOM 571 CE2 PHE A 77 27.183 18.895 -14.440 1.00 42.97 C ATOM 572 CZ PHE A 77 27.780 17.993 -15.278 1.00 46.61 C ATOM 573 H PHE A 77 22.972 16.607 -14.776 1.00 0.00 H ATOM 574 N SER A 78 21.558 15.719 -11.848 1.00 28.24 N ATOM 575 CA SER A 78 20.666 15.383 -10.752 1.00 26.72 C ATOM 576 C SER A 78 20.798 13.920 -10.339 1.00 25.90 C ATOM 577 O SER A 78 20.813 13.044 -11.188 1.00 27.91 O ATOM 578 CB SER A 78 19.198 15.597 -11.090 1.00 25.87 C ATOM 579 OG SER A 78 18.416 15.231 -9.939 1.00 25.45 O ATOM 580 HG SER A 78 17.455 15.363 -10.139 1.00 0.00 H ATOM 581 H SER A 78 21.175 16.083 -12.744 1.00 0.00 H ATOM 582 N TRP A 79 20.896 13.710 -9.016 1.00 26.29 N ATOM 583 CA TRP A 79 21.038 12.363 -8.451 1.00 26.30 C ATOM 584 C TRP A 79 19.725 11.610 -8.336 1.00 28.89 C ATOM 585 O TRP A 79 19.744 10.406 -8.088 1.00 29.11 O ATOM 586 CB TRP A 79 21.694 12.410 -7.069 1.00 26.48 C ATOM 587 CG TRP A 79 23.101 12.936 -7.067 1.00 24.90 C ATOM 588 CD1 TRP A 79 24.134 12.543 -7.852 1.00 28.14 C ATOM 589 CD2 TRP A 79 23.611 13.939 -6.196 1.00 24.91 C ATOM 590 NE1 TRP A 79 25.283 13.278 -7.528 1.00 27.28 N ATOM 591 CE2 TRP A 79 24.980 14.121 -6.500 1.00 25.38 C ATOM 592 CE3 TRP A 79 23.046 14.708 -5.185 1.00 22.75 C ATOM 593 CZ2 TRP A 79 25.749 15.065 -5.840 1.00 24.77 C ATOM 594 CZ3 TRP A 79 23.831 15.601 -4.517 1.00 23.01 C ATOM 595 CH2 TRP A 79 25.150 15.782 -4.856 1.00 24.32 C ATOM 596 HE1 TRP A 79 26.210 13.194 -7.993 1.00 0.00 H ATOM 597 H TRP A 79 20.870 14.527 -8.373 1.00 0.00 H ATOM 598 N PHE A 80 18.579 12.281 -8.532 1.00 26.42 N ATOM 599 CA PHE A 80 17.298 11.621 -8.330 1.00 27.49 C ATOM 600 C PHE A 80 16.491 11.817 -9.582 1.00 26.78 C ATOM 601 O PHE A 80 16.260 12.954 -9.975 1.00 25.32 O ATOM 602 CB PHE A 80 16.595 12.273 -7.142 1.00 26.72 C ATOM 603 CG PHE A 80 17.334 12.100 -5.831 1.00 28.05 C ATOM 604 CD1 PHE A 80 17.125 10.949 -5.041 1.00 32.42 C ATOM 605 CD2 PHE A 80 18.202 13.040 -5.398 1.00 27.44 C ATOM 606 CE1 PHE A 80 17.794 10.782 -3.832 1.00 32.03 C ATOM 607 CE2 PHE A 80 18.900 12.867 -4.201 1.00 30.29 C ATOM 608 CZ PHE A 80 18.686 11.722 -3.427 1.00 30.01 C ATOM 609 H PHE A 80 18.607 13.277 -8.830 1.00 0.00 H ATOM 610 N LYS A 81 16.097 10.739 -10.227 1.00 28.08 N ATOM 611 CA LYS A 81 15.511 10.790 -11.532 1.00 28.83 C ATOM 612 C LYS A 81 14.222 11.571 -11.523 1.00 28.82 C ATOM 613 O LYS A 81 13.359 11.331 -10.691 1.00 28.71 O ATOM 614 CB LYS A 81 15.200 9.380 -12.023 1.00 32.39 C ATOM 615 CG LYS A 81 14.691 9.387 -13.452 1.00 35.22 C ATOM 616 H LYS A 81 16.216 9.813 -9.770 1.00 0.00 H ATOM 617 N GLY A 82 14.107 12.513 -12.461 1.00 28.09 N ATOM 618 CA GLY A 82 12.903 13.315 -12.600 1.00 27.43 C ATOM 619 C GLY A 82 12.906 14.589 -11.806 1.00 26.07 C ATOM 620 O GLY A 82 11.960 15.372 -11.939 1.00 26.19 O ATOM 621 H GLY A 82 14.902 12.678 -13.111 1.00 0.00 H ATOM 622 N TYR A 83 13.902 14.801 -10.930 1.00 24.45 N ATOM 623 CA TYR A 83 13.980 16.001 -10.085 1.00 23.29 C ATOM 624 C TYR A 83 15.049 16.979 -10.508 1.00 23.66 C ATOM 625 O TYR A 83 16.136 16.601 -10.953 1.00 26.18 O ATOM 626 CB TYR A 83 14.200 15.665 -8.594 1.00 22.29 C ATOM 627 CG TYR A 83 13.143 14.809 -7.994 1.00 22.52 C ATOM 628 CD1 TYR A 83 13.233 13.426 -8.075 1.00 24.03 C ATOM 629 CD2 TYR A 83 12.043 15.358 -7.344 1.00 23.15 C ATOM 630 CE1 TYR A 83 12.229 12.615 -7.551 1.00 24.69 C ATOM 631 CE2 TYR A 83 11.070 14.564 -6.810 1.00 23.22 C ATOM 632 CZ TYR A 83 11.181 13.194 -6.914 1.00 24.80 C ATOM 633 OH TYR A 83 10.234 12.386 -6.398 1.00 25.78 O ATOM 634 HH TYR A 83 9.364 12.583 -6.827 1.00 0.00 H ATOM 635 H TYR A 83 14.651 14.084 -10.846 1.00 0.00 H ATOM 636 N ASP A 84 14.690 18.251 -10.389 1.00 23.08 N ATOM 637 CA ASP A 84 15.561 19.349 -10.560 1.00 23.53 C ATOM 638 C ASP A 84 15.924 19.889 -9.191 1.00 23.98 C ATOM 639 O ASP A 84 15.119 19.874 -8.268 1.00 23.73 O ATOM 640 CB ASP A 84 14.882 20.420 -11.411 1.00 25.34 C ATOM 641 CG ASP A 84 14.279 19.841 -12.653 1.00 27.59 C ATOM 642 OD1 ASP A 84 15.027 19.250 -13.448 1.00 28.03 O ATOM 643 OD2 ASP A 84 13.039 19.959 -12.844 1.00 28.45 O ATOM 644 H ASP A 84 13.697 18.453 -10.153 1.00 0.00 H ATOM 645 N TRP A 85 17.131 20.397 -9.070 1.00 22.70 N ATOM 646 CA TRP A 85 17.603 20.811 -7.757 1.00 22.38 C ATOM 647 C TRP A 85 17.968 22.253 -7.634 1.00 23.63 C ATOM 648 O TRP A 85 18.368 22.875 -8.639 1.00 24.03 O ATOM 649 CB TRP A 85 18.796 19.964 -7.297 1.00 23.19 C ATOM 650 CG TRP A 85 19.890 19.888 -8.274 1.00 24.07 C ATOM 651 CD1 TRP A 85 20.088 18.902 -9.184 1.00 25.40 C ATOM 652 CD2 TRP A 85 20.958 20.830 -8.450 1.00 25.39 C ATOM 653 NE1 TRP A 85 21.193 19.191 -9.952 1.00 26.98 N ATOM 654 CE2 TRP A 85 21.743 20.364 -9.523 1.00 27.65 C ATOM 655 CE3 TRP A 85 21.297 22.053 -7.841 1.00 26.55 C ATOM 656 CZ2 TRP A 85 22.871 21.049 -9.977 1.00 29.13 C ATOM 657 CZ3 TRP A 85 22.436 22.742 -8.301 1.00 29.43 C ATOM 658 CH2 TRP A 85 23.189 22.235 -9.374 1.00 30.43 C ATOM 659 HE1 TRP A 85 21.552 18.608 -10.735 1.00 0.00 H ATOM 660 H TRP A 85 17.742 20.502 -9.905 1.00 0.00 H ATOM 661 N THR A 86 17.908 22.732 -6.380 1.00 23.44 N ATOM 662 CA THR A 86 18.432 24.031 -5.992 1.00 24.41 C ATOM 663 C THR A 86 19.299 23.804 -4.758 1.00 22.51 C ATOM 664 O THR A 86 18.965 23.005 -3.914 1.00 22.35 O ATOM 665 CB THR A 86 17.331 25.065 -5.668 1.00 26.89 C ATOM 666 OG1 THR A 86 16.531 24.581 -4.595 1.00 30.44 O ATOM 667 CG2 THR A 86 16.426 25.207 -6.855 1.00 28.50 C ATOM 668 HG1 THR A 86 17.100 24.442 -3.797 1.00 0.00 H ATOM 669 H THR A 86 17.463 22.142 -5.648 1.00 0.00 H ATOM 670 N ILE A 87 20.387 24.523 -4.696 1.00 21.78 N ATOM 671 CA ILE A 87 21.277 24.518 -3.505 1.00 21.50 C ATOM 672 C ILE A 87 20.486 25.032 -2.299 1.00 19.77 C ATOM 673 O ILE A 87 19.799 26.078 -2.380 1.00 22.83 O ATOM 674 CB ILE A 87 22.561 25.346 -3.793 1.00 22.96 C ATOM 675 CG1 ILE A 87 23.425 24.585 -4.820 1.00 24.70 C ATOM 676 CG2 ILE A 87 23.362 25.656 -2.540 1.00 24.74 C ATOM 677 CD1 ILE A 87 24.575 25.388 -5.416 1.00 29.17 C ATOM 678 H ILE A 87 20.640 25.121 -5.509 1.00 0.00 H ATOM 679 N ALA A 88 20.626 24.321 -1.168 1.00 19.22 N ATOM 680 CA ALA A 88 19.996 24.702 0.087 1.00 18.22 C ATOM 681 C ALA A 88 21.124 25.068 1.078 1.00 18.21 C ATOM 682 O ALA A 88 21.960 24.221 1.440 1.00 18.96 O ATOM 683 CB ALA A 88 19.153 23.577 0.629 1.00 18.22 C ATOM 684 H ALA A 88 21.210 23.461 -1.190 1.00 0.00 H ATOM 685 N LEU A 89 21.190 26.338 1.421 1.00 17.87 N ATOM 686 CA LEU A 89 22.090 26.836 2.452 1.00 18.53 C ATOM 687 C LEU A 89 21.332 26.951 3.777 1.00 18.17 C ATOM 688 O LEU A 89 20.130 27.182 3.797 1.00 18.34 O ATOM 689 CB LEU A 89 22.633 28.210 2.078 1.00 18.98 C ATOM 690 CG LEU A 89 23.394 28.358 0.728 1.00 21.57 C ATOM 691 CD1 LEU A 89 23.936 29.755 0.618 1.00 23.59 C ATOM 692 CD2 LEU A 89 24.448 27.264 0.552 1.00 20.84 C ATOM 693 H LEU A 89 20.571 27.016 0.933 1.00 0.00 H ATOM 694 N CYS A 90 22.073 26.836 4.876 1.00 17.09 N ATOM 695 CA CYS A 90 21.563 27.227 6.171 1.00 16.96 C ATOM 696 C CYS A 90 21.149 28.701 6.009 1.00 17.34 C ATOM 697 O CYS A 90 21.963 29.552 5.604 1.00 18.06 O ATOM 698 CB CYS A 90 22.628 27.112 7.248 1.00 17.05 C ATOM 699 SG CYS A 90 22.038 27.703 8.856 1.00 17.79 S ATOM 700 H CYS A 90 23.039 26.457 4.802 1.00 0.00 H ATOM 701 N GLY A 91 19.902 29.037 6.332 1.00 17.55 N ATOM 702 CA GLY A 91 19.449 30.402 6.229 1.00 19.43 C ATOM 703 C GLY A 91 20.082 31.380 7.193 1.00 19.78 C ATOM 704 O GLY A 91 20.018 32.604 7.010 1.00 22.39 O ATOM 705 H GLY A 91 19.244 28.303 6.664 1.00 0.00 H ATOM 706 N GLN A 92 20.662 30.850 8.247 1.00 19.25 N ATOM 707 CA GLN A 92 21.277 31.626 9.277 1.00 19.42 C ATOM 708 C GLN A 92 22.771 31.892 8.940 1.00 19.38 C ATOM 709 O GLN A 92 23.164 33.038 8.792 1.00 20.59 O ATOM 710 CB GLN A 92 21.128 30.958 10.644 1.00 19.21 C ATOM 711 CG GLN A 92 21.674 31.742 11.835 1.00 19.66 C ATOM 712 CD GLN A 92 21.061 31.317 13.168 1.00 19.46 C ATOM 713 OE1 GLN A 92 20.109 31.918 13.605 1.00 20.36 O ATOM 714 NE2 GLN A 92 21.553 30.219 13.744 1.00 19.64 N ATOM 715 HE22 GLN A 92 22.376 29.738 13.328 1.00 0.00 H ATOM 716 HE21 GLN A 92 21.114 29.844 14.609 1.00 0.00 H ATOM 717 H GLN A 92 20.674 29.814 8.336 1.00 0.00 H ATOM 718 N CYS A 93 23.565 30.839 8.768 1.00 18.91 N ATOM 719 CA CYS A 93 25.006 30.995 8.632 1.00 19.84 C ATOM 720 C CYS A 93 25.562 30.798 7.206 1.00 21.12 C ATOM 721 O CYS A 93 26.719 31.141 6.971 1.00 22.28 O ATOM 722 CB CYS A 93 25.730 30.057 9.588 1.00 19.73 C ATOM 723 SG CYS A 93 25.856 28.324 9.048 1.00 20.35 S ATOM 724 H CYS A 93 23.149 29.887 8.730 1.00 0.00 H ATOM 725 N GLY A 94 24.763 30.295 6.284 1.00 19.66 N ATOM 726 CA GLY A 94 25.205 30.115 4.912 1.00 21.40 C ATOM 727 C GLY A 94 25.899 28.807 4.626 1.00 20.95 C ATOM 728 O GLY A 94 26.267 28.575 3.463 1.00 23.24 O ATOM 729 H GLY A 94 23.794 30.021 6.546 1.00 0.00 H ATOM 730 N SER A 95 26.040 27.946 5.611 1.00 19.39 N ATOM 731 CA SER A 95 26.621 26.598 5.401 1.00 21.21 C ATOM 732 C SER A 95 25.858 25.808 4.354 1.00 19.60 C ATOM 733 O SER A 95 24.619 25.813 4.326 1.00 18.80 O ATOM 734 CB SER A 95 26.566 25.806 6.693 1.00 22.69 C ATOM 735 OG SER A 95 27.136 24.511 6.524 1.00 24.59 O ATOM 736 HG SER A 95 28.082 24.602 6.247 1.00 0.00 H ATOM 737 H SER A 95 25.734 28.219 6.567 1.00 0.00 H ATOM 738 N HIS A 96 26.587 25.162 3.429 1.00 19.59 N ATOM 739 CA HIS A 96 25.885 24.332 2.458 1.00 18.99 C ATOM 740 C HIS A 96 25.357 23.072 3.090 1.00 18.19 C ATOM 741 O HIS A 96 26.126 22.182 3.425 1.00 20.84 O ATOM 742 CB HIS A 96 26.802 24.021 1.294 1.00 21.47 C ATOM 743 CG HIS A 96 26.162 23.166 0.271 1.00 23.16 C ATOM 744 ND1 HIS A 96 26.884 22.326 -0.551 1.00 27.11 N ATOM 745 CD2 HIS A 96 24.861 23.021 -0.081 1.00 23.03 C ATOM 746 CE1 HIS A 96 26.050 21.684 -1.353 1.00 27.19 C ATOM 747 NE2 HIS A 96 24.818 22.065 -1.069 1.00 24.39 N ATOM 748 H HIS A 96 27.623 25.252 3.406 1.00 0.00 H ATOM 749 N LEU A 97 24.050 22.962 3.297 1.00 17.28 N ATOM 750 CA LEU A 97 23.458 21.857 3.973 1.00 16.96 C ATOM 751 C LEU A 97 22.885 20.772 3.070 1.00 17.59 C ATOM 752 O LEU A 97 22.632 19.687 3.509 1.00 17.07 O ATOM 753 CB LEU A 97 22.376 22.330 4.944 1.00 18.34 C ATOM 754 CG LEU A 97 22.838 23.205 6.112 1.00 19.39 C ATOM 755 CD1 LEU A 97 21.717 23.467 7.068 1.00 19.18 C ATOM 756 CD2 LEU A 97 24.013 22.599 6.856 1.00 21.26 C ATOM 757 H LEU A 97 23.428 23.720 2.949 1.00 0.00 H ATOM 758 N GLY A 98 22.669 21.088 1.811 1.00 18.24 N ATOM 759 CA GLY A 98 22.172 20.127 0.861 1.00 19.27 C ATOM 760 C GLY A 98 21.479 20.775 -0.318 1.00 18.65 C ATOM 761 O GLY A 98 21.933 21.774 -0.856 1.00 19.67 O ATOM 762 H GLY A 98 22.863 22.059 1.493 1.00 0.00 H ATOM 763 N TRP A 99 20.383 20.163 -0.724 1.00 17.99 N ATOM 764 CA TRP A 99 19.616 20.593 -1.934 1.00 19.27 C ATOM 765 C TRP A 99 18.126 20.405 -1.707 1.00 19.62 C ATOM 766 O TRP A 99 17.707 19.527 -0.965 1.00 19.64 O ATOM 767 CB TRP A 99 20.028 19.793 -3.190 1.00 20.25 C ATOM 768 CG TRP A 99 21.512 19.880 -3.506 1.00 20.73 C ATOM 769 CD1 TRP A 99 22.133 20.746 -4.358 1.00 22.24 C ATOM 770 CD2 TRP A 99 22.562 19.095 -2.902 1.00 21.32 C ATOM 771 NE1 TRP A 99 23.503 20.544 -4.316 1.00 23.16 N ATOM 772 CE2 TRP A 99 23.781 19.542 -3.427 1.00 22.10 C ATOM 773 CE3 TRP A 99 22.577 18.081 -1.935 1.00 21.44 C ATOM 774 CZ2 TRP A 99 25.029 18.980 -3.023 1.00 24.71 C ATOM 775 CZ3 TRP A 99 23.788 17.556 -1.524 1.00 23.04 C ATOM 776 CH2 TRP A 99 24.989 17.986 -2.074 1.00 22.31 C ATOM 777 HE1 TRP A 99 24.207 21.070 -4.872 1.00 0.00 H ATOM 778 H TRP A 99 20.038 19.347 -0.180 1.00 0.00 H ATOM 779 N HIS A 100 17.340 21.240 -2.382 1.00 20.74 N ATOM 780 CA HIS A 100 15.929 21.051 -2.503 1.00 20.32 C ATOM 781 C HIS A 100 15.614 20.517 -3.916 1.00 20.54 C ATOM 782 O HIS A 100 16.158 20.994 -4.892 1.00 21.58 O ATOM 783 CB HIS A 100 15.192 22.370 -2.279 1.00 22.72 C ATOM 784 CG HIS A 100 13.700 22.226 -2.246 1.00 23.67 C ATOM 785 ND1 HIS A 100 12.877 22.824 -3.170 1.00 27.39 N ATOM 786 CD2 HIS A 100 12.880 21.526 -1.424 1.00 23.58 C ATOM 787 CE1 HIS A 100 11.619 22.556 -2.883 1.00 26.56 C ATOM 788 NE2 HIS A 100 11.601 21.738 -1.852 1.00 25.62 N ATOM 789 H HIS A 100 17.772 22.067 -2.842 1.00 0.00 H ATOM 790 N TYR A 101 14.819 19.476 -3.957 1.00 20.40 N ATOM 791 CA TYR A 101 14.425 18.824 -5.202 1.00 20.92 C ATOM 792 C TYR A 101 12.954 19.121 -5.488 1.00 21.64 C ATOM 793 O TYR A 101 12.135 19.125 -4.566 1.00 22.56 O ATOM 794 CB TYR A 101 14.648 17.326 -5.098 1.00 20.58 C ATOM 795 CG TYR A 101 16.123 16.993 -5.096 1.00 20.22 C ATOM 796 CD1 TYR A 101 16.814 16.893 -6.273 1.00 22.44 C ATOM 797 CD2 TYR A 101 16.805 16.875 -3.903 1.00 20.91 C ATOM 798 CE1 TYR A 101 18.184 16.619 -6.275 1.00 22.18 C ATOM 799 CE2 TYR A 101 18.180 16.600 -3.878 1.00 20.61 C ATOM 800 CZ TYR A 101 18.856 16.527 -5.052 1.00 22.06 C ATOM 801 OH TYR A 101 20.214 16.245 -5.021 1.00 22.95 O ATOM 802 HH TYR A 101 20.567 16.225 -5.946 1.00 0.00 H ATOM 803 H TYR A 101 14.452 19.097 -3.061 1.00 0.00 H ATOM 804 N GLU A 102 12.673 19.416 -6.752 1.00 22.44 N ATOM 805 CA GLU A 102 11.336 19.708 -7.220 1.00 24.59 C ATOM 806 C GLU A 102 11.161 19.276 -8.657 1.00 24.87 C ATOM 807 O GLU A 102 12.082 18.798 -9.304 1.00 25.88 O ATOM 808 CB GLU A 102 11.019 21.205 -7.092 1.00 28.08 C ATOM 809 CG GLU A 102 11.839 22.099 -8.034 1.00 32.67 C ATOM 810 CD GLU A 102 11.695 23.573 -7.691 1.00 38.33 C ATOM 811 OE1 GLU A 102 10.661 24.154 -8.061 1.00 40.19 O ATOM 812 OE2 GLU A 102 12.613 24.138 -7.046 1.00 39.82 O ATOM 813 H GLU A 102 13.453 19.438 -7.439 1.00 0.00 H ATOM 814 N GLY A 103 9.953 19.467 -9.171 1.00 24.83 N ATOM 815 CA GLY A 103 9.671 19.135 -10.549 1.00 25.69 C ATOM 816 C GLY A 103 9.447 17.659 -10.891 1.00 26.69 C ATOM 817 O GLY A 103 9.299 17.297 -12.072 1.00 28.19 O ATOM 818 H GLY A 103 9.198 19.861 -8.574 1.00 0.00 H ATOM 819 N GLY A 104 9.460 16.797 -9.868 1.00 25.81 N ATOM 820 CA GLY A 104 9.322 15.361 -10.050 1.00 27.02 C ATOM 821 C GLY A 104 7.946 14.864 -9.665 1.00 28.65 C ATOM 822 O GLY A 104 6.934 15.593 -9.779 1.00 30.11 O ATOM 823 H GLY A 104 9.573 17.169 -8.903 1.00 0.00 H ATOM 824 N SER A 105 7.891 13.595 -9.256 1.00 29.96 N ATOM 825 CA SER A 105 6.619 12.884 -9.032 1.00 32.34 C ATOM 826 C SER A 105 6.694 11.977 -7.774 1.00 34.23 C ATOM 827 O SER A 105 7.687 11.253 -7.571 1.00 31.39 O ATOM 828 CB SER A 105 6.240 12.067 -10.246 1.00 34.53 C ATOM 829 OG SER A 105 6.156 12.850 -11.434 1.00 33.61 O ATOM 830 HG SER A 105 7.034 13.270 -11.614 1.00 0.00 H ATOM 831 H SER A 105 8.782 13.086 -9.088 1.00 0.00 H ATOM 832 N GLN A 106 5.683 12.103 -6.911 1.00 33.80 N ATOM 833 CA GLN A 106 5.441 11.191 -5.776 1.00 36.29 C ATOM 834 C GLN A 106 6.732 10.934 -4.950 1.00 33.90 C ATOM 835 O GLN A 106 7.236 9.819 -4.950 1.00 34.67 O ATOM 836 CB GLN A 106 4.803 9.886 -6.250 1.00 41.16 C ATOM 837 CG GLN A 106 4.191 9.090 -5.102 1.00 45.26 C ATOM 838 CD GLN A 106 3.240 7.979 -5.486 1.00 49.47 C ATOM 839 OE1 GLN A 106 3.032 7.637 -6.652 1.00 52.10 O ATOM 840 NE2 GLN A 106 2.642 7.392 -4.473 1.00 53.80 N ATOM 841 HE22 GLN A 106 2.839 7.704 -3.501 1.00 0.00 H ATOM 842 HE21 GLN A 106 1.972 6.615 -4.644 1.00 0.00 H ATOM 843 H GLN A 106 5.023 12.895 -7.047 1.00 0.00 H ATOM 844 N PRO A 107 7.227 11.959 -4.260 1.00 31.46 N ATOM 845 CA PRO A 107 6.654 13.286 -4.154 1.00 31.61 C ATOM 846 C PRO A 107 7.125 14.264 -5.229 1.00 30.65 C ATOM 847 O PRO A 107 8.174 14.054 -5.867 1.00 27.72 O ATOM 848 CB PRO A 107 7.136 13.729 -2.800 1.00 31.43 C ATOM 849 CG PRO A 107 8.512 13.157 -2.701 1.00 29.79 C ATOM 850 CD PRO A 107 8.425 11.831 -3.396 1.00 30.15 C ATOM 851 N GLN A 108 6.362 15.339 -5.425 1.00 29.72 N ATOM 852 CA GLN A 108 6.859 16.424 -6.313 1.00 28.78 C ATOM 853 C GLN A 108 8.151 17.060 -5.833 1.00 26.63 C ATOM 854 O GLN A 108 9.001 17.414 -6.652 1.00 24.49 O ATOM 855 CB GLN A 108 5.775 17.484 -6.554 1.00 29.23 C ATOM 856 CG GLN A 108 4.624 16.972 -7.374 1.00 31.09 C ATOM 857 CD GLN A 108 3.566 18.027 -7.503 1.00 33.06 C ATOM 858 OE1 GLN A 108 3.165 18.648 -6.515 1.00 34.76 O ATOM 859 NE2 GLN A 108 3.112 18.237 -8.690 1.00 34.91 N ATOM 860 HE22 GLN A 108 3.481 17.688 -9.493 1.00 0.00 H ATOM 861 HE21 GLN A 108 2.376 18.955 -8.846 1.00 0.00 H ATOM 862 H GLN A 108 5.433 15.418 -4.964 1.00 0.00 H ATOM 863 N THR A 109 8.295 17.219 -4.514 1.00 26.05 N ATOM 864 CA THR A 109 9.444 17.871 -3.926 1.00 25.69 C ATOM 865 C THR A 109 9.956 17.138 -2.667 1.00 25.24 C ATOM 866 O THR A 109 9.199 16.419 -1.981 1.00 26.96 O ATOM 867 CB THR A 109 9.065 19.291 -3.460 1.00 26.49 C ATOM 868 OG1 THR A 109 8.126 19.202 -2.373 1.00 28.86 O ATOM 869 CG2 THR A 109 8.384 20.066 -4.585 1.00 27.69 C ATOM 870 HG1 THR A 109 8.538 18.706 -1.622 1.00 0.00 H ATOM 871 H THR A 109 7.550 16.859 -3.884 1.00 0.00 H ATOM 872 N PHE A 110 11.227 17.345 -2.354 1.00 22.97 N ATOM 873 CA PHE A 110 11.778 16.864 -1.078 1.00 22.69 C ATOM 874 C PHE A 110 13.120 17.547 -0.862 1.00 20.93 C ATOM 875 O PHE A 110 13.586 18.243 -1.745 1.00 20.59 O ATOM 876 CB PHE A 110 11.907 15.324 -1.056 1.00 23.44 C ATOM 877 CG PHE A 110 12.938 14.799 -1.977 1.00 22.86 C ATOM 878 CD1 PHE A 110 12.632 14.594 -3.316 1.00 23.72 C ATOM 879 CD2 PHE A 110 14.221 14.496 -1.535 1.00 22.63 C ATOM 880 CE1 PHE A 110 13.591 14.151 -4.213 1.00 24.25 C ATOM 881 CE2 PHE A 110 15.165 13.998 -2.443 1.00 22.77 C ATOM 882 CZ PHE A 110 14.868 13.850 -3.767 1.00 23.74 C ATOM 883 H PHE A 110 11.843 17.854 -3.019 1.00 0.00 H ATOM 884 N PHE A 111 13.744 17.298 0.296 1.00 19.37 N ATOM 885 CA PHE A 111 15.063 17.828 0.608 1.00 18.58 C ATOM 886 C PHE A 111 16.075 16.713 0.749 1.00 17.87 C ATOM 887 O PHE A 111 15.814 15.668 1.347 1.00 19.02 O ATOM 888 CB PHE A 111 15.069 18.631 1.906 1.00 19.38 C ATOM 889 CG PHE A 111 14.193 19.828 1.884 1.00 20.46 C ATOM 890 CD1 PHE A 111 12.824 19.704 2.103 1.00 22.13 C ATOM 891 CD2 PHE A 111 14.732 21.085 1.685 1.00 21.35 C ATOM 892 CE1 PHE A 111 12.005 20.823 2.101 1.00 25.37 C ATOM 893 CE2 PHE A 111 13.893 22.214 1.682 1.00 22.54 C ATOM 894 CZ PHE A 111 12.559 22.073 1.883 1.00 23.15 C ATOM 895 H PHE A 111 13.267 16.701 1.002 1.00 0.00 H ATOM 896 N GLY A 112 17.247 16.945 0.183 1.00 17.55 N ATOM 897 CA GLY A 112 18.360 16.016 0.358 1.00 18.26 C ATOM 898 C GLY A 112 19.422 16.751 1.133 1.00 18.31 C ATOM 899 O GLY A 112 20.042 17.685 0.603 1.00 18.80 O ATOM 900 H GLY A 112 17.378 17.800 -0.394 1.00 0.00 H ATOM 901 N LEU A 113 19.596 16.361 2.397 1.00 18.48 N ATOM 902 CA LEU A 113 20.475 17.068 3.314 1.00 17.71 C ATOM 903 C LEU A 113 21.704 16.229 3.615 1.00 18.25 C ATOM 904 O LEU A 113 21.658 14.999 3.760 1.00 18.59 O ATOM 905 CB LEU A 113 19.725 17.418 4.595 1.00 17.96 C ATOM 906 CG LEU A 113 18.521 18.352 4.373 1.00 17.64 C ATOM 907 CD1 LEU A 113 17.887 18.765 5.699 1.00 18.98 C ATOM 908 CD2 LEU A 113 18.867 19.571 3.537 1.00 17.25 C ATOM 909 H LEU A 113 19.085 15.522 2.738 1.00 0.00 H ATOM 910 N ILE A 114 22.835 16.916 3.789 1.00 18.98 N ATOM 911 CA ILE A 114 24.106 16.234 4.026 1.00 19.05 C ATOM 912 C ILE A 114 24.237 15.877 5.525 1.00 19.09 C ATOM 913 O ILE A 114 24.310 16.771 6.403 1.00 19.91 O ATOM 914 CB ILE A 114 25.272 17.143 3.594 1.00 19.34 C ATOM 915 CG1 ILE A 114 25.167 17.552 2.111 1.00 19.82 C ATOM 916 CG2 ILE A 114 26.612 16.443 3.894 1.00 20.47 C ATOM 917 CD1 ILE A 114 25.887 18.810 1.781 1.00 20.86 C ATOM 918 H ILE A 114 22.812 17.955 3.755 1.00 0.00 H ATOM 919 N LYS A 115 24.255 14.595 5.836 1.00 19.87 N ATOM 920 CA LYS A 115 24.080 14.147 7.200 1.00 20.99 C ATOM 921 C LYS A 115 25.086 14.743 8.176 1.00 21.57 C ATOM 922 O LYS A 115 24.757 15.173 9.293 1.00 21.74 O ATOM 923 CB LYS A 115 24.086 12.641 7.239 1.00 24.85 C ATOM 924 CG LYS A 115 23.750 12.029 8.574 1.00 28.15 C ATOM 925 CD LYS A 115 24.914 11.486 9.368 1.00 31.63 C ATOM 926 CE LYS A 115 24.466 10.318 10.270 1.00 34.36 C ATOM 927 NZ LYS A 115 25.312 9.983 11.460 1.00 31.92 N ATOM 928 HZ1 LYS A 115 26.269 9.728 11.143 1.00 0.00 H ATOM 929 HZ2 LYS A 115 25.363 10.808 12.091 1.00 0.00 H ATOM 930 HZ3 LYS A 115 24.889 9.181 11.970 1.00 0.00 H ATOM 931 H LYS A 115 24.398 13.891 5.084 1.00 0.00 H ATOM 932 N ASP A 116 26.342 14.786 7.753 1.00 22.04 N ATOM 933 CA ASP A 116 27.378 15.216 8.650 1.00 22.74 C ATOM 934 C ASP A 116 27.432 16.730 8.831 1.00 21.58 C ATOM 935 O ASP A 116 28.290 17.191 9.603 1.00 22.78 O ATOM 936 CB ASP A 116 28.742 14.628 8.251 1.00 24.81 C ATOM 937 CG ASP A 116 29.027 14.755 6.781 1.00 27.26 C ATOM 938 OD1 ASP A 116 28.284 14.154 5.965 1.00 28.50 O ATOM 939 OD2 ASP A 116 30.049 15.383 6.484 1.00 29.08 O ATOM 940 H ASP A 116 26.575 14.510 6.778 1.00 0.00 H ATOM 941 N ARG A 117 26.550 17.459 8.156 1.00 19.19 N ATOM 942 CA ARG A 117 26.500 18.901 8.364 1.00 19.59 C ATOM 943 C ARG A 117 25.344 19.298 9.292 1.00 18.41 C ATOM 944 O ARG A 117 25.062 20.499 9.475 1.00 19.08 O ATOM 945 CB ARG A 117 26.510 19.616 7.033 1.00 19.40 C ATOM 946 CG ARG A 117 27.689 19.162 6.174 1.00 21.15 C ATOM 947 CD ARG A 117 27.815 20.017 4.942 1.00 21.47 C ATOM 948 NE ARG A 117 28.873 19.460 4.129 1.00 22.75 N ATOM 949 CZ ARG A 117 29.242 19.956 2.968 1.00 22.66 C ATOM 950 NH1 ARG A 117 28.648 21.046 2.500 1.00 20.87 N ATOM 951 NH2 ARG A 117 30.188 19.328 2.294 1.00 24.17 N ATOM 952 HE ARG A 117 29.371 18.618 4.483 1.00 0.00 H ATOM 953 HH12 ARG A 117 28.936 21.442 1.583 1.00 0.00 H ATOM 954 HH11 ARG A 117 27.894 21.504 3.051 1.00 0.00 H ATOM 955 HH22 ARG A 117 30.502 19.695 1.373 1.00 0.00 H ATOM 956 HH21 ARG A 117 30.620 18.466 2.684 1.00 0.00 H ATOM 957 H ARG A 117 25.900 17.004 7.484 1.00 0.00 H ATOM 958 N LEU A 118 24.681 18.293 9.856 1.00 18.49 N ATOM 959 CA LEU A 118 23.597 18.470 10.818 1.00 19.20 C ATOM 960 C LEU A 118 24.006 17.890 12.176 1.00 17.97 C ATOM 961 O LEU A 118 24.824 16.960 12.283 1.00 19.81 O ATOM 962 CB LEU A 118 22.313 17.766 10.349 1.00 19.28 C ATOM 963 CG LEU A 118 21.820 18.057 8.945 1.00 19.99 C ATOM 964 CD1 LEU A 118 20.732 17.057 8.531 1.00 21.31 C ATOM 965 CD2 LEU A 118 21.399 19.502 8.940 1.00 20.69 C ATOM 966 H LEU A 118 24.951 17.323 9.596 1.00 0.00 H ATOM 967 N ALA A 119 23.416 18.445 13.221 1.00 18.60 N ATOM 968 CA ALA A 119 23.531 17.902 14.571 1.00 18.63 C ATOM 969 C ALA A 119 22.175 17.480 15.039 1.00 19.23 C ATOM 970 O ALA A 119 21.242 18.280 14.864 1.00 18.82 O ATOM 971 CB ALA A 119 24.083 18.929 15.555 1.00 19.44 C ATOM 972 H ALA A 119 22.847 19.303 13.075 1.00 0.00 H ATOM 973 N GLU A 120 22.086 16.280 15.611 1.00 19.46 N ATOM 974 CA GLU A 120 20.836 15.717 16.087 1.00 21.76 C ATOM 975 C GLU A 120 20.677 15.852 17.613 1.00 22.06 C ATOM 976 O GLU A 120 21.598 15.603 18.374 1.00 21.72 O ATOM 977 CB GLU A 120 20.695 14.261 15.647 1.00 24.99 C ATOM 978 CG GLU A 120 19.282 13.713 15.884 1.00 29.80 C ATOM 979 CD GLU A 120 19.045 12.281 15.350 1.00 35.31 C ATOM 980 OE1 GLU A 120 19.942 11.692 14.681 1.00 36.92 O ATOM 981 OE2 GLU A 120 17.930 11.754 15.577 1.00 37.57 O ATOM 982 H GLU A 120 22.955 15.719 15.722 1.00 0.00 H ATOM 983 N GLY A 121 19.465 16.150 18.099 1.00 22.69 N ATOM 984 CA GLY A 121 19.316 16.380 19.502 1.00 23.58 C ATOM 985 C GLY A 121 17.859 16.576 19.912 1.00 26.24 C ATOM 986 O GLY A 121 16.948 16.353 19.124 1.00 26.42 O ATOM 987 H GLY A 121 18.644 16.213 17.464 1.00 0.00 H ATOM 988 N PRO A 122 17.655 16.897 21.165 1.00 28.49 N ATOM 989 CA PRO A 122 16.286 16.940 21.701 1.00 31.79 C ATOM 990 C PRO A 122 15.427 18.104 21.141 1.00 31.98 C ATOM 991 O PRO A 122 15.938 19.138 20.817 1.00 31.70 O ATOM 992 CB PRO A 122 16.486 17.049 23.219 1.00 32.82 C ATOM 993 CG PRO A 122 17.893 17.444 23.418 1.00 32.30 C ATOM 994 CD PRO A 122 18.683 17.140 22.187 1.00 28.59 C ATOM 995 N ALA A 123 14.112 17.913 21.058 1.00 37.32 N ATOM 996 CA ALA A 123 13.198 18.986 20.578 1.00 39.30 C ATOM 997 C ALA A 123 13.178 20.245 21.468 1.00 41.44 C ATOM 998 O ALA A 123 13.430 20.159 22.662 1.00 45.07 O ATOM 999 CB ALA A 123 11.789 18.432 20.420 1.00 44.25 C ATOM 1000 H ALA A 123 13.714 16.993 21.335 1.00 0.00 H TER 1001 ALA A 123 HETATM 1002 ZN ZN A 1 24.029 27.311 10.042 1.00 18.57 ZN HETATM 1003 O HOH 2 14.509 27.160 11.677 1.00 23.85 O HETATM 1004 O HOH 3 13.769 24.315 -5.116 1.00 41.63 O HETATM 1005 O HOH 4 18.272 15.694 -14.966 1.00 48.22 O HETATM 1006 O HOH 5 8.102 15.721 0.219 1.00 41.07 O HETATM 1007 O HOH 6 28.768 13.663 3.493 1.00 26.14 O HETATM 1008 O HOH 7 15.044 19.251 -16.021 1.00 24.90 O HETATM 1009 O HOH 8 9.920 23.344 -10.394 1.00 37.31 O HETATM 1010 O HOH 9 31.651 16.554 8.135 1.00 27.19 O HETATM 1011 O HOH 10 20.933 26.470 -6.905 1.00 30.11 O HETATM 1012 O HOH 11 30.578 17.543 5.142 1.00 36.02 O HETATM 1013 O HOH 12 8.476 11.625 5.342 1.00 27.06 O HETATM 1014 O HOH 13 23.114 23.554 -13.139 1.00 33.68 O HETATM 1015 O HOH 14 12.926 9.376 -8.992 1.00 39.20 O HETATM 1016 O HOH 15 29.775 24.824 6.543 1.00 39.26 O HETATM 1017 O HOH 16 29.911 23.103 15.543 1.00 29.99 O HETATM 1018 O HOH 17 15.079 30.239 6.324 1.00 34.61 O HETATM 1019 O HOH 18 14.481 16.724 -14.166 1.00 47.26 O HETATM 1020 O HOH 19 11.765 8.618 11.012 1.00 44.90 O HETATM 1021 O HOH 20 16.304 21.771 20.427 1.00 29.96 O HETATM 1022 O HOH 21 10.778 16.049 -14.283 1.00 26.78 O HETATM 1023 O HOH 22 8.757 12.774 -12.203 1.00 32.30 O HETATM 1024 O HOH 23 32.264 17.593 2.507 1.00 43.37 O HETATM 1025 O HOH 24 28.131 32.978 8.412 1.00 34.37 O HETATM 1026 O HOH 25 16.587 8.342 -9.018 1.00 40.29 O HETATM 1027 O HOH 26 11.292 14.027 15.137 1.00 28.42 O HETATM 1028 O HOH 27 29.540 21.736 -0.196 1.00 33.23 O HETATM 1029 O HOH 28 13.955 25.300 18.183 1.00 55.23 O HETATM 1030 O HOH 29 6.299 18.217 -10.320 1.00 22.40 O HETATM 1031 O HOH 30 22.101 31.953 4.059 1.00 40.43 O HETATM 1032 O HOH 31 27.515 30.309 1.683 1.00 48.59 O HETATM 1033 O HOH 32 3.772 15.051 -4.447 1.00 33.42 O HETATM 1034 O HOH 33 15.240 30.166 -4.855 1.00 41.19 O HETATM 1035 O HOH 34 20.056 25.040 -9.208 1.00 27.66 O HETATM 1036 O HOH 35 32.346 20.863 10.721 1.00 36.57 O HETATM 1037 O HOH 36 25.702 21.750 -5.583 1.00 35.64 O HETATM 1038 O HOH 37 6.650 18.463 2.108 1.00 36.45 O HETATM 1039 O HOH 38 23.854 14.324 11.826 1.00 32.16 O HETATM 1040 O HOH 39 14.808 4.519 5.602 1.00 58.95 O HETATM 1041 O HOH 40 7.398 20.427 -8.437 1.00 37.39 O HETATM 1042 O HOH 41 29.417 25.201 3.549 1.00 28.26 O HETATM 1043 O HOH 42 23.574 16.376 -16.537 1.00 40.04 O HETATM 1044 O HOH 43 26.810 22.628 8.785 1.00 24.00 O HETATM 1045 O HOH 44 22.345 3.238 3.215 1.00 51.94 O HETATM 1046 O HOH 45 16.393 15.347 -13.524 1.00 43.71 O HETATM 1047 O HOH 46 9.337 21.394 -0.108 1.00 38.22 O HETATM 1048 O HOH 47 10.874 21.583 14.237 1.00 46.15 O HETATM 1049 O HOH 48 28.399 11.309 6.494 1.00 40.03 O HETATM 1050 O HOH 49 31.080 20.629 14.954 1.00 34.73 O HETATM 1051 O HOH 50 9.656 19.009 0.091 1.00 37.82 O HETATM 1052 O HOH 51 26.060 12.658 12.332 1.00 24.60 O HETATM 1053 O HOH 52 5.826 17.408 -2.640 1.00 33.56 O HETATM 1054 O HOH 53 5.267 17.013 12.079 1.00 38.70 O HETATM 1055 O HOH 54 20.485 28.558 -10.266 1.00 48.30 O HETATM 1056 O HOH 55 28.989 30.443 5.220 1.00 50.97 O HETATM 1057 O HOH 56 2.898 17.819 -3.657 1.00 42.85 O HETATM 1058 O HOH 57 17.864 33.118 -5.303 1.00 50.23 O HETATM 1059 O HOH 58 29.988 15.758 2.268 1.00 44.02 O HETATM 1060 O HOH 59 14.010 7.143 12.232 1.00 43.49 O HETATM 1061 O HOH 60 10.396 12.011 -10.207 1.00 26.75 O HETATM 1062 O HOH 61 13.204 21.462 12.832 1.00 44.79 O HETATM 1063 O HOH 62 13.220 29.091 10.413 1.00 39.52 O HETATM 1064 O HOH 63 25.486 22.301 -12.310 1.00 46.73 O HETATM 1065 O HOH 64 5.677 21.184 -6.248 1.00 47.82 O HETATM 1066 O HOH 65 14.423 30.946 9.304 1.00 43.44 O HETATM 1067 O HOH 66 6.924 20.201 14.580 1.00 44.05 O HETATM 1068 O HOH 67 23.183 27.857 -7.783 1.00 47.79 O HETATM 1069 O HOH 68 6.977 9.512 4.605 1.00 45.02 O HETATM 1070 O HOH 69 26.245 23.400 -7.951 1.00 49.30 O HETATM 1071 O HOH 70 24.988 25.490 -9.068 1.00 44.32 O HETATM 1072 O2 UNN A 71 25.651 17.369 -8.784 1.00 -0.37 O HETATM 1073 C2 UNN A 71 24.618 17.538 -8.132 1.00 0.27 C HETATM 1074 N3 UNN A 71 23.571 16.729 -8.321 1.00 -0.19 N HETATM 1075 C4 UNN A 71 22.527 16.978 -7.510 1.00 0.22 C HETATM 1076 C5 UNN A 71 22.726 18.216 -6.614 1.00 0.11 C HETATM 1077 S1 UNN A 71 24.396 18.778 -7.010 1.00 -0.00 S HETATM 1078 H2 UNN A 71 21.985 18.994 -6.851 1.00 0.06 H HETATM 1079 H3 UNN A 71 22.646 17.946 -5.551 1.00 0.06 H HETATM 1080 O4 UNN A 71 21.555 16.228 -7.470 1.00 -0.39 O HETATM 1081 H1 UNN A 71 23.564 16.001 -9.007 1.00 0.23 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 65 64 1002 CONECT 101 100 1002 CONECT 699 698 1002 CONECT 723 722 1002 CONECT 1002 65 101 699 723 CONECT 1072 1073 CONECT 1073 1072 1074 1077 CONECT 1074 1073 1075 1081 CONECT 1075 1074 1076 1080 CONECT 1076 1075 1077 1078 1079 CONECT 1077 1073 1076 CONECT 1078 1076 CONECT 1079 1076 CONECT 1080 1075 CONECT 1081 1074 MASTER 0 0 0 0 0 0 0 0 1080 1 19 9 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 5oh9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
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
5oh9
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
9UT
EC.Number
E.C.-.-.-.-
Resolution
1.65(Å)
Affinity (Kd/Ki/IC50)
Ki=137uM
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
3
NO
2
S
Molecular Weight
117.126
Exact Mass
116.988
No. of atoms
10
No. of bonds
10
Polar Surface Area
71.47
LOGP Value
0.07 (
Computed with XLOGP3
)
0.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
O=C1SCC(=O)N1
InChI String
InChI=1S/C3H3NO2S/c5-2-1-7-3(6)4-2/h1H2,(H,4,5,6)
Links to External Databases
RCSB PDB
The mother database
PDBsum
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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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