Browse entries in the PDBbind-CN Database
HEADER 6R0V_COMPLEX COMPND 6R0V_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN SEQRES 2 A 110 CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO SEQRES 3 A 110 MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA SEQRES 4 A 110 GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN SEQRES 5 A 110 GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER SEQRES 6 A 110 TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY SEQRES 7 A 110 GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SEQRES 8 A 110 SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG SEQRES 9 A 110 LEU ALA GLU GLY PRO ALA HET ZN A 1 1 HET JO A 2 30 ATOM 1 N VAL A 14 7.934 7.828 23.299 1.00 61.42 N ATOM 2 CA VAL A 14 8.870 7.788 24.471 1.00 60.72 C ATOM 3 C VAL A 14 9.022 9.171 25.120 1.00 59.51 C ATOM 4 O VAL A 14 8.976 10.192 24.423 1.00 59.58 O ATOM 5 CB VAL A 14 10.270 7.228 24.076 1.00 59.59 C ATOM 6 CG1 VAL A 14 10.127 5.885 23.364 1.00 60.34 C ATOM 7 CG2 VAL A 14 11.078 8.220 23.229 1.00 57.11 C ATOM 8 HN3 VAL A 14 8.303 8.488 22.585 1.00 0.00 H ATOM 9 HN2 VAL A 14 6.996 8.147 23.616 1.00 0.00 H ATOM 10 HN1 VAL A 14 7.856 6.877 22.886 1.00 0.00 H ATOM 11 N LEU A 15 9.235 9.197 26.438 1.00 57.91 N ATOM 12 CA LEU A 15 9.495 10.461 27.160 1.00 55.74 C ATOM 13 C LEU A 15 10.906 10.991 26.870 1.00 52.25 C ATOM 14 O LEU A 15 11.846 10.203 26.719 1.00 50.46 O ATOM 15 CB LEU A 15 9.320 10.280 28.662 1.00 58.45 C ATOM 16 CG LEU A 15 7.952 9.745 29.093 1.00 61.07 C ATOM 17 CD1 LEU A 15 7.993 9.299 30.545 1.00 62.41 C ATOM 18 CD2 LEU A 15 6.849 10.771 28.844 1.00 62.12 C ATOM 19 H LEU A 15 9.218 8.304 26.971 1.00 0.00 H ATOM 20 N ALA A 16 11.020 12.321 26.785 1.00 48.96 N ATOM 21 CA ALA A 16 12.285 13.029 26.539 1.00 45.43 C ATOM 22 C ALA A 16 13.181 12.408 25.459 1.00 43.37 C ATOM 23 O ALA A 16 14.327 12.052 25.748 1.00 41.85 O ATOM 24 CB ALA A 16 13.054 13.158 27.850 1.00 46.11 C ATOM 25 H ALA A 16 10.158 12.891 26.900 1.00 0.00 H ATOM 26 N PRO A 17 12.683 12.299 24.208 1.00 41.66 N ATOM 27 CA PRO A 17 13.516 11.685 23.175 1.00 40.34 C ATOM 28 C PRO A 17 14.748 12.535 22.877 1.00 37.99 C ATOM 29 O PRO A 17 14.664 13.748 22.969 1.00 37.22 O ATOM 30 CB PRO A 17 12.591 11.650 21.942 1.00 40.37 C ATOM 31 CG PRO A 17 11.605 12.741 22.190 1.00 41.10 C ATOM 32 CD PRO A 17 11.383 12.739 23.663 1.00 42.31 C ATOM 33 N GLY A 18 15.863 11.892 22.548 1.00 37.37 N ATOM 34 CA GLY A 18 17.104 12.583 22.180 1.00 36.23 C ATOM 35 C GLY A 18 17.442 12.536 20.713 1.00 36.75 C ATOM 36 O GLY A 18 18.453 13.122 20.319 1.00 36.40 O ATOM 37 H GLY A 18 15.856 10.852 22.551 1.00 0.00 H ATOM 38 N ALA A 19 16.607 11.920 19.879 1.00 38.01 N ATOM 39 CA ALA A 19 16.874 11.880 18.439 1.00 38.90 C ATOM 40 C ALA A 19 15.662 12.325 17.667 1.00 39.98 C ATOM 41 O ALA A 19 15.122 11.533 16.884 1.00 47.70 O ATOM 42 CB ALA A 19 17.289 10.468 18.034 1.00 39.67 C ATOM 43 H ALA A 19 15.753 11.461 20.255 1.00 0.00 H ATOM 44 N SER A 20 15.209 13.546 17.899 1.00 38.22 N ATOM 45 CA SER A 20 13.974 13.992 17.245 1.00 36.96 C ATOM 46 C SER A 20 14.144 15.138 16.291 1.00 33.20 C ATOM 47 O SER A 20 13.442 15.116 15.318 1.00 32.04 O ATOM 48 CB SER A 20 12.759 14.229 18.172 1.00 39.89 C ATOM 49 OG SER A 20 12.841 15.468 18.788 1.00 43.61 O ATOM 50 HG SER A 20 12.054 15.596 19.375 1.00 0.00 H ATOM 51 H SER A 20 15.724 14.184 18.539 1.00 0.00 H ATOM 52 N ILE A 21 15.123 16.013 16.486 1.00 29.16 N ATOM 53 CA ILE A 21 15.275 17.223 15.661 1.00 27.66 C ATOM 54 C ILE A 21 16.683 17.230 15.047 1.00 24.47 C ATOM 55 O ILE A 21 17.625 16.775 15.666 1.00 24.63 O ATOM 56 CB ILE A 21 15.187 18.487 16.564 1.00 29.90 C ATOM 57 CG1 ILE A 21 13.821 18.606 17.257 1.00 33.66 C ATOM 58 CG2 ILE A 21 15.552 19.785 15.841 1.00 30.76 C ATOM 59 CD1 ILE A 21 12.683 18.645 16.333 1.00 34.46 C ATOM 60 H ILE A 21 15.807 15.837 17.249 1.00 0.00 H ATOM 61 N PHE A 22 16.801 17.731 13.823 1.00 21.45 N ATOM 62 CA PHE A 22 18.052 17.944 13.176 1.00 20.00 C ATOM 63 C PHE A 22 18.315 19.449 13.081 1.00 19.68 C ATOM 64 O PHE A 22 17.467 20.191 12.609 1.00 19.95 O ATOM 65 CB PHE A 22 18.046 17.364 11.764 1.00 19.69 C ATOM 66 CG PHE A 22 18.045 15.872 11.746 1.00 20.62 C ATOM 67 CD1 PHE A 22 19.240 15.147 11.824 1.00 22.08 C ATOM 68 CD2 PHE A 22 16.847 15.169 11.651 1.00 21.97 C ATOM 69 CE1 PHE A 22 19.225 13.743 11.861 1.00 23.33 C ATOM 70 CE2 PHE A 22 16.855 13.775 11.624 1.00 22.00 C ATOM 71 CZ PHE A 22 18.033 13.086 11.688 1.00 22.97 C ATOM 72 H PHE A 22 15.933 17.982 13.309 1.00 0.00 H ATOM 73 N ARG A 23 19.490 19.847 13.522 1.00 18.45 N ATOM 74 CA ARG A 23 19.963 21.225 13.475 1.00 18.44 C ATOM 75 C ARG A 23 21.215 21.332 12.606 1.00 18.06 C ATOM 76 O ARG A 23 21.917 20.361 12.421 1.00 18.18 O ATOM 77 CB ARG A 23 20.310 21.713 14.875 1.00 19.08 C ATOM 78 CG ARG A 23 19.149 21.652 15.828 1.00 21.10 C ATOM 79 CD ARG A 23 19.418 22.354 17.164 1.00 22.15 C ATOM 80 NE ARG A 23 18.152 22.493 17.891 1.00 23.78 N ATOM 81 CZ ARG A 23 17.254 23.462 17.704 1.00 24.66 C ATOM 82 NH1 ARG A 23 17.493 24.484 16.896 1.00 24.79 N ATOM 83 NH2 ARG A 23 16.126 23.436 18.370 1.00 26.78 N ATOM 84 HE ARG A 23 17.936 21.776 18.613 1.00 0.00 H ATOM 85 HH12 ARG A 23 16.775 25.225 16.769 1.00 0.00 H ATOM 86 HH11 ARG A 23 18.399 24.545 16.389 1.00 0.00 H ATOM 87 HH22 ARG A 23 15.422 24.188 18.229 1.00 0.00 H ATOM 88 HH21 ARG A 23 15.935 22.663 19.039 1.00 0.00 H ATOM 89 H ARG A 23 20.123 19.130 13.931 1.00 0.00 H ATOM 90 N CYS A 24 21.513 22.538 12.111 1.00 17.42 N ATOM 91 CA CYS A 24 22.758 22.761 11.445 1.00 16.99 C ATOM 92 C CYS A 24 23.926 22.503 12.421 1.00 17.81 C ATOM 93 O CYS A 24 23.931 23.062 13.516 1.00 18.22 O ATOM 94 CB CYS A 24 22.825 24.184 10.960 1.00 17.41 C ATOM 95 SG CYS A 24 24.430 24.645 10.210 1.00 17.68 S ATOM 96 H CYS A 24 20.834 23.319 12.211 1.00 0.00 H ATOM 97 N ARG A 25 24.884 21.672 11.995 1.00 17.58 N ATOM 98 CA ARG A 25 26.032 21.333 12.838 1.00 19.58 C ATOM 99 C ARG A 25 26.903 22.523 13.177 1.00 18.86 C ATOM 100 O ARG A 25 27.566 22.540 14.217 1.00 19.88 O ATOM 101 CB ARG A 25 26.858 20.262 12.135 1.00 21.16 C ATOM 102 CG ARG A 25 28.118 19.852 12.801 1.00 22.15 C ATOM 103 CD ARG A 25 28.822 18.795 12.010 1.00 21.32 C ATOM 104 NE ARG A 25 30.106 18.512 12.633 1.00 23.60 N ATOM 105 CZ ARG A 25 30.954 17.569 12.217 1.00 23.34 C ATOM 106 NH1 ARG A 25 30.622 16.750 11.198 1.00 22.79 N ATOM 107 NH2 ARG A 25 32.117 17.463 12.812 1.00 24.76 N ATOM 108 HE ARG A 25 30.381 19.083 13.458 1.00 0.00 H ATOM 109 HH12 ARG A 25 31.289 16.018 10.881 1.00 0.00 H ATOM 110 HH11 ARG A 25 29.699 16.850 10.730 1.00 0.00 H ATOM 111 HH22 ARG A 25 32.794 16.736 12.505 1.00 0.00 H ATOM 112 HH21 ARG A 25 32.363 18.106 13.591 1.00 0.00 H ATOM 113 H ARG A 25 24.812 21.258 11.044 1.00 0.00 H ATOM 114 N GLN A 26 26.938 23.512 12.312 1.00 19.64 N ATOM 115 CA GLN A 26 27.774 24.712 12.512 1.00 21.87 C ATOM 116 C GLN A 26 27.202 25.768 13.420 1.00 22.66 C ATOM 117 O GLN A 26 27.948 26.399 14.152 1.00 25.15 O ATOM 118 CB GLN A 26 28.156 25.330 11.172 1.00 24.15 C ATOM 119 CG GLN A 26 28.915 24.394 10.281 1.00 25.52 C ATOM 120 CD GLN A 26 30.155 23.783 10.924 1.00 28.24 C ATOM 121 OE1 GLN A 26 30.890 24.441 11.649 1.00 31.58 O ATOM 122 NE2 GLN A 26 30.368 22.488 10.678 1.00 34.18 N ATOM 123 HE22 GLN A 26 29.720 21.963 10.056 1.00 0.00 H ATOM 124 HE21 GLN A 26 31.182 22.004 11.108 1.00 0.00 H ATOM 125 H GLN A 26 26.354 23.447 11.454 1.00 0.00 H ATOM 126 N CYS A 27 25.905 25.971 13.425 1.00 20.42 N ATOM 127 CA CYS A 27 25.275 27.104 14.126 1.00 20.91 C ATOM 128 C CYS A 27 24.024 26.768 14.922 1.00 21.41 C ATOM 129 O CYS A 27 23.544 27.585 15.702 1.00 23.20 O ATOM 130 CB CYS A 27 24.986 28.225 13.135 1.00 20.23 C ATOM 131 SG CYS A 27 23.540 27.871 12.125 1.00 19.48 S ATOM 132 H CYS A 27 25.295 25.303 12.912 1.00 0.00 H ATOM 133 N GLY A 28 23.441 25.579 14.752 1.00 20.47 N ATOM 134 CA GLY A 28 22.297 25.204 15.523 1.00 19.86 C ATOM 135 C GLY A 28 20.923 25.543 14.972 1.00 20.66 C ATOM 136 O GLY A 28 19.890 25.224 15.591 1.00 21.55 O ATOM 137 H GLY A 28 23.825 24.916 14.049 1.00 0.00 H ATOM 138 N GLN A 29 20.868 26.215 13.820 1.00 20.98 N ATOM 139 CA GLN A 29 19.590 26.504 13.158 1.00 21.03 C ATOM 140 C GLN A 29 18.746 25.241 13.040 1.00 21.11 C ATOM 141 O GLN A 29 19.253 24.218 12.630 1.00 20.93 O ATOM 142 CB GLN A 29 19.870 27.043 11.753 1.00 20.71 C ATOM 143 CG GLN A 29 18.667 27.254 10.841 1.00 20.80 C ATOM 144 CD GLN A 29 18.128 28.660 10.915 1.00 21.69 C ATOM 145 OE1 GLN A 29 17.968 29.227 12.000 1.00 23.31 O ATOM 146 NE2 GLN A 29 17.814 29.222 9.756 1.00 21.63 N ATOM 147 HE22 GLN A 29 17.968 28.703 8.868 1.00 0.00 H ATOM 148 HE21 GLN A 29 17.414 30.182 9.735 1.00 0.00 H ATOM 149 H GLN A 29 21.752 26.542 13.381 1.00 0.00 H ATOM 150 N THR A 30 17.471 25.334 13.393 1.00 21.35 N ATOM 151 CA THR A 30 16.579 24.176 13.258 1.00 21.89 C ATOM 152 C THR A 30 16.353 23.878 11.778 1.00 20.61 C ATOM 153 O THR A 30 16.055 24.811 11.037 1.00 20.86 O ATOM 154 CB THR A 30 15.203 24.474 13.905 1.00 24.26 C ATOM 155 OG1 THR A 30 15.363 25.151 15.158 1.00 28.36 O ATOM 156 CG2 THR A 30 14.467 23.201 14.073 1.00 24.90 C ATOM 157 HG1 THR A 30 14.472 25.330 15.551 1.00 0.00 H ATOM 158 H THR A 30 17.102 26.231 13.767 1.00 0.00 H ATOM 159 N ILE A 31 16.528 22.633 11.352 1.00 19.98 N ATOM 160 CA ILE A 31 16.450 22.271 9.920 1.00 20.26 C ATOM 161 C ILE A 31 15.351 21.243 9.644 1.00 21.65 C ATOM 162 O ILE A 31 14.552 21.430 8.727 1.00 23.01 O ATOM 163 CB ILE A 31 17.791 21.755 9.340 1.00 19.70 C ATOM 164 CG1 ILE A 31 18.911 22.760 9.541 1.00 19.36 C ATOM 165 CG2 ILE A 31 17.627 21.407 7.869 1.00 19.95 C ATOM 166 CD1 ILE A 31 18.788 24.076 8.816 1.00 19.67 C ATOM 167 H ILE A 31 16.727 21.887 12.049 1.00 0.00 H ATOM 168 N SER A 32 15.316 20.144 10.354 1.00 22.27 N ATOM 169 CA SER A 32 14.300 19.125 10.069 1.00 23.38 C ATOM 170 C SER A 32 14.067 18.226 11.272 1.00 24.49 C ATOM 171 O SER A 32 14.511 18.551 12.368 1.00 22.78 O ATOM 172 CB SER A 32 14.660 18.307 8.813 1.00 22.41 C ATOM 173 OG SER A 32 13.502 17.618 8.329 1.00 24.02 O ATOM 174 HG SER A 32 12.800 18.277 8.099 1.00 0.00 H ATOM 175 H SER A 32 16.006 19.994 11.117 1.00 0.00 H ATOM 176 N ARG A 33 13.364 17.112 11.067 1.00 26.32 N ATOM 177 CA ARG A 33 12.906 16.250 12.135 1.00 28.04 C ATOM 178 C ARG A 33 13.005 14.817 11.658 1.00 26.97 C ATOM 179 O ARG A 33 12.759 14.518 10.471 1.00 24.83 O ATOM 180 CB ARG A 33 11.431 16.517 12.499 1.00 31.84 C ATOM 181 CG ARG A 33 11.125 17.948 12.843 1.00 34.82 C ATOM 182 CD ARG A 33 9.674 18.121 13.205 1.00 39.56 C ATOM 183 NE ARG A 33 9.510 17.745 14.588 1.00 44.16 N ATOM 184 CZ ARG A 33 9.690 18.571 15.624 1.00 48.06 C ATOM 185 NH1 ARG A 33 10.069 19.851 15.452 1.00 49.81 N ATOM 186 NH2 ARG A 33 9.512 18.120 16.864 1.00 49.00 N ATOM 187 HE ARG A 33 9.233 16.764 14.793 1.00 0.00 H ATOM 188 HH12 ARG A 33 10.201 20.470 16.278 1.00 0.00 H ATOM 189 HH11 ARG A 33 10.230 20.221 14.494 1.00 0.00 H ATOM 190 HH22 ARG A 33 9.650 18.757 17.674 1.00 0.00 H ATOM 191 HH21 ARG A 33 9.235 17.130 17.023 1.00 0.00 H ATOM 192 H ARG A 33 13.133 16.849 10.088 1.00 0.00 H ATOM 193 N ARG A 34 13.322 13.917 12.574 1.00 27.20 N ATOM 194 CA ARG A 34 13.326 12.516 12.256 1.00 29.05 C ATOM 195 C ARG A 34 11.963 12.028 11.694 1.00 28.43 C ATOM 196 O ARG A 34 11.910 11.182 10.785 1.00 28.48 O ATOM 197 CB ARG A 34 13.746 11.681 13.462 1.00 32.64 C ATOM 198 CG ARG A 34 13.757 10.183 13.221 1.00 36.28 C ATOM 199 CD ARG A 34 14.555 9.438 14.281 1.00 39.66 C ATOM 200 NE ARG A 34 15.986 9.561 14.010 1.00 42.39 N ATOM 201 CZ ARG A 34 16.677 8.822 13.136 1.00 43.51 C ATOM 202 NH1 ARG A 34 16.097 7.884 12.377 1.00 45.81 N ATOM 203 NH2 ARG A 34 17.951 9.050 12.984 1.00 44.27 N ATOM 204 HE ARG A 34 16.511 10.284 14.542 1.00 0.00 H ATOM 205 HH12 ARG A 34 16.669 7.329 11.708 1.00 0.00 H ATOM 206 HH11 ARG A 34 15.075 7.710 12.456 1.00 0.00 H ATOM 207 HH22 ARG A 34 18.504 8.484 12.308 1.00 0.00 H ATOM 208 HH21 ARG A 34 18.415 9.798 13.538 1.00 0.00 H ATOM 209 H ARG A 34 13.571 14.227 13.535 1.00 0.00 H ATOM 210 N ASP A 35 10.888 12.583 12.238 1.00 28.96 N ATOM 211 CA ASP A 35 9.530 12.269 11.772 1.00 30.41 C ATOM 212 C ASP A 35 9.343 12.505 10.279 1.00 29.27 C ATOM 213 O ASP A 35 8.450 11.897 9.678 1.00 28.61 O ATOM 214 CB ASP A 35 8.472 13.090 12.537 1.00 33.08 C ATOM 215 CG ASP A 35 8.230 12.600 13.945 1.00 36.66 C ATOM 216 OD1 ASP A 35 8.613 11.457 14.290 1.00 38.43 O ATOM 217 OD2 ASP A 35 7.609 13.381 14.702 1.00 39.80 O ATOM 218 H ASP A 35 11.010 13.261 13.018 1.00 0.00 H ATOM 219 N TRP A 36 10.161 13.383 9.693 1.00 26.77 N ATOM 220 CA TRP A 36 10.035 13.764 8.282 1.00 26.40 C ATOM 221 C TRP A 36 10.982 13.011 7.350 1.00 24.91 C ATOM 222 O TRP A 36 11.050 13.320 6.154 1.00 23.83 O ATOM 223 CB TRP A 36 10.203 15.276 8.117 1.00 26.05 C ATOM 224 CG TRP A 36 9.237 16.096 8.899 1.00 28.87 C ATOM 225 CD1 TRP A 36 8.013 15.705 9.399 1.00 30.35 C ATOM 226 CD2 TRP A 36 9.363 17.477 9.234 1.00 30.94 C ATOM 227 NE1 TRP A 36 7.410 16.728 10.040 1.00 33.74 N ATOM 228 CE2 TRP A 36 8.187 17.843 9.935 1.00 32.67 C ATOM 229 CE3 TRP A 36 10.351 18.442 9.022 1.00 31.19 C ATOM 230 CZ2 TRP A 36 7.969 19.140 10.420 1.00 34.26 C ATOM 231 CZ3 TRP A 36 10.141 19.722 9.494 1.00 31.82 C ATOM 232 CH2 TRP A 36 8.954 20.067 10.208 1.00 33.96 C ATOM 233 HE1 TRP A 36 6.497 16.674 10.536 1.00 0.00 H ATOM 234 H TRP A 36 10.918 13.814 10.260 1.00 0.00 H ATOM 235 N LEU A 37 11.693 12.025 7.845 1.00 25.97 N ATOM 236 CA LEU A 37 12.490 11.153 6.955 1.00 26.96 C ATOM 237 C LEU A 37 11.622 10.508 5.882 1.00 27.28 C ATOM 238 O LEU A 37 10.479 10.104 6.155 1.00 27.84 O ATOM 239 CB LEU A 37 13.234 10.094 7.737 1.00 28.34 C ATOM 240 CG LEU A 37 14.442 10.638 8.490 1.00 28.78 C ATOM 241 CD1 LEU A 37 14.889 9.580 9.502 1.00 30.81 C ATOM 242 CD2 LEU A 37 15.559 10.992 7.552 1.00 27.93 C ATOM 243 H LEU A 37 11.696 11.856 8.871 1.00 0.00 H ATOM 244 N LEU A 38 12.126 10.478 4.657 1.00 26.71 N ATOM 245 CA LEU A 38 11.388 10.084 3.474 1.00 28.30 C ATOM 246 C LEU A 38 12.148 8.974 2.762 1.00 29.93 C ATOM 247 O LEU A 38 13.241 9.211 2.263 1.00 29.17 O ATOM 248 CB LEU A 38 11.271 11.279 2.525 1.00 28.23 C ATOM 249 CG LEU A 38 10.613 11.025 1.153 1.00 29.59 C ATOM 250 CD1 LEU A 38 9.177 10.576 1.355 1.00 31.22 C ATOM 251 CD2 LEU A 38 10.762 12.299 0.312 1.00 29.93 C ATOM 252 H LEU A 38 13.121 10.757 4.536 1.00 0.00 H ATOM 253 N PRO A 39 11.591 7.755 2.686 1.00 32.23 N ATOM 254 CA PRO A 39 12.321 6.666 2.022 1.00 33.66 C ATOM 255 C PRO A 39 12.191 6.642 0.506 1.00 34.36 C ATOM 256 O PRO A 39 11.508 5.774 -0.057 1.00 39.22 O ATOM 257 CB PRO A 39 11.714 5.418 2.663 1.00 35.33 C ATOM 258 CG PRO A 39 10.297 5.819 2.916 1.00 34.87 C ATOM 259 CD PRO A 39 10.367 7.263 3.346 1.00 34.30 C ATOM 260 N MET A 40 12.908 7.534 -0.173 1.00 33.79 N ATOM 261 CA MET A 40 12.996 7.608 -1.628 1.00 34.01 C ATOM 262 C MET A 40 13.620 6.382 -2.245 1.00 35.07 C ATOM 263 O MET A 40 14.678 5.940 -1.772 1.00 35.41 O ATOM 264 CB MET A 40 13.849 8.815 -2.032 1.00 33.79 C ATOM 265 CG MET A 40 13.236 10.173 -1.780 1.00 33.40 C ATOM 266 SD MET A 40 11.724 10.459 -2.709 1.00 36.28 S ATOM 267 CE MET A 40 12.367 10.349 -4.379 1.00 34.65 C ATOM 268 H MET A 40 13.448 8.233 0.376 1.00 0.00 H ATOM 269 N GLY A 41 12.967 5.794 -3.245 1.00 36.07 N ATOM 270 CA GLY A 41 13.407 4.510 -3.788 1.00 38.01 C ATOM 271 C GLY A 41 13.635 3.434 -2.745 1.00 39.17 C ATOM 272 O GLY A 41 14.501 2.590 -2.941 1.00 42.22 O ATOM 273 H GLY A 41 12.127 6.257 -3.648 1.00 0.00 H ATOM 274 N GLY A 42 12.871 3.454 -1.648 1.00 39.03 N ATOM 275 CA GLY A 42 12.944 2.427 -0.600 1.00 40.47 C ATOM 276 C GLY A 42 13.966 2.627 0.504 1.00 40.51 C ATOM 277 O GLY A 42 14.121 1.744 1.348 1.00 41.77 O ATOM 278 H GLY A 42 12.193 4.234 -1.531 1.00 0.00 H ATOM 279 N ASP A 43 14.686 3.745 0.501 1.00 38.98 N ATOM 280 CA ASP A 43 15.668 3.979 1.560 1.00 38.18 C ATOM 281 C ASP A 43 15.745 5.451 1.819 1.00 35.31 C ATOM 282 O ASP A 43 15.793 6.200 0.875 1.00 34.51 O ATOM 283 CB ASP A 43 17.033 3.475 1.115 1.00 40.79 C ATOM 284 CG ASP A 43 17.987 3.254 2.280 1.00 42.68 C ATOM 285 OD1 ASP A 43 17.797 3.804 3.398 1.00 43.85 O ATOM 286 OD2 ASP A 43 18.977 2.517 2.073 1.00 45.71 O ATOM 287 H ASP A 43 14.552 4.450 -0.251 1.00 0.00 H ATOM 288 N HIS A 44 15.779 5.894 3.073 1.00 34.19 N ATOM 289 CA HIS A 44 15.957 7.326 3.348 1.00 33.68 C ATOM 290 C HIS A 44 17.418 7.763 3.146 1.00 32.15 C ATOM 291 O HIS A 44 17.655 8.932 2.923 1.00 31.78 O ATOM 292 CB HIS A 44 15.420 7.762 4.704 1.00 34.22 C ATOM 293 CG HIS A 44 16.167 7.234 5.893 1.00 36.63 C ATOM 294 ND1 HIS A 44 15.590 6.353 6.788 1.00 38.97 N ATOM 295 CD2 HIS A 44 17.404 7.505 6.379 1.00 37.16 C ATOM 296 CE1 HIS A 44 16.455 6.077 7.749 1.00 38.72 C ATOM 297 NE2 HIS A 44 17.556 6.773 7.534 1.00 38.09 N ATOM 298 H HIS A 44 15.679 5.224 3.862 1.00 0.00 H ATOM 299 N GLU A 45 18.344 6.812 3.148 1.00 32.18 N ATOM 300 CA GLU A 45 19.767 7.114 2.868 1.00 30.88 C ATOM 301 C GLU A 45 20.241 6.744 1.470 1.00 30.68 C ATOM 302 O GLU A 45 19.967 5.658 0.983 1.00 30.61 O ATOM 303 CB GLU A 45 20.642 6.419 3.889 1.00 33.42 C ATOM 304 CG GLU A 45 22.130 6.655 3.737 1.00 35.12 C ATOM 305 CD GLU A 45 22.936 6.017 4.858 1.00 37.88 C ATOM 306 OE1 GLU A 45 22.891 6.531 6.003 1.00 39.13 O ATOM 307 OE2 GLU A 45 23.643 5.032 4.547 1.00 41.46 O ATOM 308 H GLU A 45 18.064 5.831 3.351 1.00 0.00 H ATOM 309 N HIS A 46 20.931 7.681 0.835 1.00 27.36 N ATOM 310 CA HIS A 46 21.441 7.538 -0.508 1.00 27.94 C ATOM 311 C HIS A 46 22.889 8.001 -0.544 1.00 27.18 C ATOM 312 O HIS A 46 23.217 9.080 -0.056 1.00 26.61 O ATOM 313 CB HIS A 46 20.632 8.343 -1.484 1.00 28.21 C ATOM 314 CG HIS A 46 19.262 7.780 -1.696 1.00 29.69 C ATOM 315 ND1 HIS A 46 18.915 7.046 -2.817 1.00 31.50 N ATOM 316 CD2 HIS A 46 18.177 7.787 -0.895 1.00 30.80 C ATOM 317 CE1 HIS A 46 17.654 6.666 -2.707 1.00 31.71 C ATOM 318 NE2 HIS A 46 17.194 7.092 -1.549 1.00 31.17 N ATOM 319 H HIS A 46 21.116 8.574 1.335 1.00 0.00 H ATOM 320 N VAL A 47 23.755 7.121 -1.032 1.00 28.12 N ATOM 321 CA VAL A 47 25.202 7.367 -1.023 1.00 27.80 C ATOM 322 C VAL A 47 25.582 7.716 -2.444 1.00 27.09 C ATOM 323 O VAL A 47 25.414 6.908 -3.366 1.00 27.90 O ATOM 324 CB VAL A 47 26.018 6.199 -0.480 1.00 30.73 C ATOM 325 CG1 VAL A 47 27.501 6.595 -0.470 1.00 31.13 C ATOM 326 CG2 VAL A 47 25.553 5.880 0.940 1.00 31.49 C ATOM 327 H VAL A 47 23.397 6.230 -1.433 1.00 0.00 H ATOM 328 N VAL A 48 26.079 8.924 -2.643 1.00 24.54 N ATOM 329 CA VAL A 48 26.189 9.538 -3.948 1.00 25.10 C ATOM 330 C VAL A 48 27.469 10.335 -4.089 1.00 24.66 C ATOM 331 O VAL A 48 28.106 10.607 -3.082 1.00 22.87 O ATOM 332 CB VAL A 48 24.981 10.483 -4.204 1.00 24.71 C ATOM 333 CG1 VAL A 48 23.674 9.666 -4.249 1.00 26.00 C ATOM 334 CG2 VAL A 48 24.880 11.608 -3.158 1.00 24.70 C ATOM 335 H VAL A 48 26.409 9.462 -1.817 1.00 0.00 H ATOM 336 N PHE A 49 27.881 10.645 -5.321 1.00 25.16 N ATOM 337 CA PHE A 49 28.957 11.593 -5.525 1.00 26.26 C ATOM 338 C PHE A 49 28.648 12.621 -6.577 1.00 25.28 C ATOM 339 O PHE A 49 27.871 12.356 -7.498 1.00 25.58 O ATOM 340 CB PHE A 49 30.316 10.895 -5.754 1.00 29.68 C ATOM 341 CG PHE A 49 30.468 10.293 -7.070 1.00 31.52 C ATOM 342 CD1 PHE A 49 30.147 8.970 -7.320 1.00 33.85 C ATOM 343 CD2 PHE A 49 31.006 11.062 -8.123 1.00 34.49 C ATOM 344 CE1 PHE A 49 30.316 8.428 -8.576 1.00 35.58 C ATOM 345 CE2 PHE A 49 31.194 10.524 -9.385 1.00 35.77 C ATOM 346 CZ PHE A 49 30.836 9.202 -9.617 1.00 37.04 C ATOM 347 H PHE A 49 27.424 10.201 -6.143 1.00 0.00 H ATOM 348 N ASN A 50 29.201 13.824 -6.413 1.00 25.52 N ATOM 349 CA ASN A 50 29.017 14.908 -7.364 1.00 26.44 C ATOM 350 C ASN A 50 30.130 14.969 -8.416 1.00 29.08 C ATOM 351 O ASN A 50 31.081 14.176 -8.365 1.00 31.11 O ATOM 352 CB ASN A 50 28.757 16.228 -6.606 1.00 25.49 C ATOM 353 CG ASN A 50 29.993 16.799 -5.933 1.00 25.98 C ATOM 354 OD1 ASN A 50 31.109 16.295 -6.074 1.00 28.00 O ATOM 355 ND2 ASN A 50 29.800 17.918 -5.293 1.00 26.94 N ATOM 356 HD22 ASN A 50 28.839 18.305 -5.200 1.00 0.00 H ATOM 357 HD21 ASN A 50 30.607 18.424 -4.876 1.00 0.00 H ATOM 358 H ASN A 50 29.787 13.993 -5.571 1.00 0.00 H ATOM 359 N PRO A 51 30.024 15.888 -9.399 1.00 30.29 N ATOM 360 CA PRO A 51 31.070 15.884 -10.431 1.00 31.91 C ATOM 361 C PRO A 51 32.465 16.200 -9.917 1.00 32.53 C ATOM 362 O PRO A 51 33.463 15.773 -10.551 1.00 34.33 O ATOM 363 CB PRO A 51 30.619 16.950 -11.433 1.00 32.46 C ATOM 364 CG PRO A 51 29.135 16.992 -11.270 1.00 31.25 C ATOM 365 CD PRO A 51 28.827 16.640 -9.833 1.00 30.20 C ATOM 366 N ALA A 52 32.551 16.897 -8.790 1.00 30.54 N ATOM 367 CA ALA A 52 33.817 17.180 -8.121 1.00 30.77 C ATOM 368 C ALA A 52 34.350 15.990 -7.326 1.00 31.36 C ATOM 369 O ALA A 52 35.388 16.108 -6.678 1.00 29.97 O ATOM 370 CB ALA A 52 33.676 18.397 -7.245 1.00 30.31 C ATOM 371 H ALA A 52 31.674 17.259 -8.364 1.00 0.00 H ATOM 372 N GLY A 53 33.637 14.866 -7.328 1.00 29.94 N ATOM 373 CA GLY A 53 34.075 13.638 -6.707 1.00 30.46 C ATOM 374 C GLY A 53 33.762 13.547 -5.228 1.00 29.94 C ATOM 375 O GLY A 53 34.167 12.567 -4.570 1.00 30.68 O ATOM 376 H GLY A 53 32.712 14.873 -7.804 1.00 0.00 H ATOM 377 N MET A 54 33.059 14.526 -4.682 1.00 28.39 N ATOM 378 CA MET A 54 32.744 14.543 -3.262 1.00 29.33 C ATOM 379 C MET A 54 31.673 13.497 -3.054 1.00 28.17 C ATOM 380 O MET A 54 30.673 13.471 -3.797 1.00 27.37 O ATOM 381 CB MET A 54 32.292 15.926 -2.808 1.00 32.31 C ATOM 382 CG MET A 54 33.381 16.961 -2.922 1.00 39.79 C ATOM 383 SD MET A 54 32.859 18.578 -2.387 1.00 52.91 S ATOM 384 CE MET A 54 32.109 19.288 -3.846 1.00 44.32 C ATOM 385 H MET A 54 32.723 15.304 -5.284 1.00 0.00 H ATOM 386 N ILE A 55 31.887 12.635 -2.045 1.00 27.24 N ATOM 387 CA ILE A 55 30.923 11.613 -1.675 1.00 26.40 C ATOM 388 C ILE A 55 30.063 12.126 -0.523 1.00 23.94 C ATOM 389 O ILE A 55 30.568 12.754 0.424 1.00 23.95 O ATOM 390 CB ILE A 55 31.623 10.316 -1.262 1.00 27.43 C ATOM 391 CG1 ILE A 55 32.358 9.764 -2.488 1.00 29.75 C ATOM 392 CG2 ILE A 55 30.603 9.294 -0.713 1.00 27.46 C ATOM 393 CD1 ILE A 55 33.306 8.610 -2.219 1.00 30.75 C ATOM 394 H ILE A 55 32.776 12.702 -1.509 1.00 0.00 H ATOM 395 N PHE A 56 28.757 11.884 -0.619 1.00 22.30 N ATOM 396 CA PHE A 56 27.831 12.312 0.417 1.00 22.19 C ATOM 397 C PHE A 56 26.960 11.134 0.797 1.00 22.84 C ATOM 398 O PHE A 56 26.494 10.386 -0.072 1.00 22.88 O ATOM 399 CB PHE A 56 26.926 13.417 -0.069 1.00 21.44 C ATOM 400 CG PHE A 56 27.636 14.610 -0.638 1.00 21.77 C ATOM 401 CD1 PHE A 56 28.064 15.638 0.171 1.00 21.31 C ATOM 402 CD2 PHE A 56 27.843 14.719 -1.999 1.00 22.05 C ATOM 403 CE1 PHE A 56 28.699 16.762 -0.368 1.00 21.96 C ATOM 404 CE2 PHE A 56 28.480 15.868 -2.512 1.00 22.54 C ATOM 405 CZ PHE A 56 28.878 16.878 -1.699 1.00 22.60 C ATOM 406 H PHE A 56 28.392 11.379 -1.452 1.00 0.00 H ATOM 407 N ARG A 57 26.675 11.073 2.103 1.00 23.11 N ATOM 408 CA ARG A 57 25.639 10.221 2.644 1.00 24.30 C ATOM 409 C ARG A 57 24.443 11.160 2.854 1.00 22.39 C ATOM 410 O ARG A 57 24.445 11.997 3.778 1.00 22.81 O ATOM 411 CB ARG A 57 26.119 9.566 3.895 1.00 28.43 C ATOM 412 CG ARG A 57 25.087 8.902 4.791 1.00 33.13 C ATOM 413 CD ARG A 57 25.800 8.246 5.980 1.00 38.28 C ATOM 414 NE ARG A 57 24.902 7.896 7.088 1.00 41.96 N ATOM 415 CZ ARG A 57 25.066 8.273 8.356 1.00 44.84 C ATOM 416 NH1 ARG A 57 26.099 9.023 8.739 1.00 45.72 N ATOM 417 NH2 ARG A 57 24.186 7.890 9.282 1.00 47.39 N ATOM 418 HE ARG A 57 24.073 7.308 6.866 1.00 0.00 H ATOM 419 HH12 ARG A 57 26.199 9.301 9.736 1.00 0.00 H ATOM 420 HH11 ARG A 57 26.805 9.331 8.041 1.00 0.00 H ATOM 421 HH22 ARG A 57 24.312 8.183 10.272 1.00 0.00 H ATOM 422 HH21 ARG A 57 23.374 7.298 9.014 1.00 0.00 H ATOM 423 H ARG A 57 27.223 11.665 2.759 1.00 0.00 H ATOM 424 N VAL A 58 23.449 11.011 1.976 1.00 21.84 N ATOM 425 CA VAL A 58 22.320 11.931 1.905 1.00 21.64 C ATOM 426 C VAL A 58 21.118 11.259 2.534 1.00 21.61 C ATOM 427 O VAL A 58 20.814 10.103 2.224 1.00 22.32 O ATOM 428 CB VAL A 58 22.012 12.305 0.447 1.00 21.79 C ATOM 429 CG1 VAL A 58 20.701 13.070 0.321 1.00 22.57 C ATOM 430 CG2 VAL A 58 23.158 13.115 -0.147 1.00 21.92 C ATOM 431 H VAL A 58 23.481 10.207 1.317 1.00 0.00 H ATOM 432 N TRP A 59 20.455 11.986 3.445 1.00 20.22 N ATOM 433 CA TRP A 59 19.179 11.542 4.031 1.00 21.76 C ATOM 434 C TRP A 59 18.099 12.403 3.405 1.00 20.76 C ATOM 435 O TRP A 59 18.212 13.628 3.299 1.00 19.68 O ATOM 436 CB TRP A 59 19.190 11.676 5.544 1.00 24.13 C ATOM 437 CG TRP A 59 19.911 10.523 6.203 1.00 27.33 C ATOM 438 CD1 TRP A 59 20.888 9.725 5.644 1.00 29.94 C ATOM 439 CD2 TRP A 59 19.751 10.061 7.542 1.00 30.08 C ATOM 440 NE1 TRP A 59 21.341 8.823 6.570 1.00 32.35 N ATOM 441 CE2 TRP A 59 20.646 8.998 7.733 1.00 31.67 C ATOM 442 CE3 TRP A 59 18.916 10.434 8.592 1.00 31.92 C ATOM 443 CZ2 TRP A 59 20.747 8.310 8.933 1.00 33.73 C ATOM 444 CZ3 TRP A 59 18.992 9.746 9.788 1.00 33.88 C ATOM 445 CH2 TRP A 59 19.891 8.673 9.940 1.00 35.67 C ATOM 446 HE1 TRP A 59 22.091 8.120 6.413 1.00 0.00 H ATOM 447 H TRP A 59 20.856 12.896 3.749 1.00 0.00 H ATOM 448 N CYS A 60 17.031 11.734 2.975 1.00 20.97 N ATOM 449 CA CYS A 60 15.931 12.421 2.316 1.00 20.74 C ATOM 450 C CYS A 60 14.850 12.763 3.333 1.00 21.54 C ATOM 451 O CYS A 60 14.525 11.936 4.199 1.00 22.60 O ATOM 452 CB CYS A 60 15.350 11.568 1.241 1.00 22.05 C ATOM 453 SG CYS A 60 16.530 11.183 -0.090 1.00 24.09 S ATOM 454 H CYS A 60 16.982 10.704 3.112 1.00 0.00 H ATOM 455 N PHE A 61 14.339 13.985 3.253 1.00 19.94 N ATOM 456 CA PHE A 61 13.313 14.487 4.166 1.00 20.80 C ATOM 457 C PHE A 61 12.174 15.081 3.340 1.00 20.40 C ATOM 458 O PHE A 61 12.388 15.744 2.289 1.00 19.84 O ATOM 459 CB PHE A 61 13.879 15.595 5.044 1.00 20.90 C ATOM 460 CG PHE A 61 14.889 15.129 6.047 1.00 21.62 C ATOM 461 CD1 PHE A 61 16.225 15.100 5.719 1.00 21.67 C ATOM 462 CD2 PHE A 61 14.527 14.780 7.343 1.00 22.44 C ATOM 463 CE1 PHE A 61 17.185 14.703 6.649 1.00 22.13 C ATOM 464 CE2 PHE A 61 15.477 14.372 8.269 1.00 23.15 C ATOM 465 CZ PHE A 61 16.802 14.344 7.923 1.00 22.67 C ATOM 466 H PHE A 61 14.686 14.617 2.504 1.00 0.00 H ATOM 467 N SER A 62 10.944 14.830 3.799 1.00 21.41 N ATOM 468 CA SER A 62 9.789 15.409 3.124 1.00 22.48 C ATOM 469 C SER A 62 9.695 16.922 3.284 1.00 22.69 C ATOM 470 O SER A 62 9.137 17.614 2.396 1.00 23.92 O ATOM 471 CB SER A 62 8.521 14.773 3.669 1.00 23.60 C ATOM 472 OG SER A 62 8.513 13.396 3.357 1.00 23.98 O ATOM 473 HG SER A 62 7.686 12.983 3.713 1.00 0.00 H ATOM 474 H SER A 62 10.812 14.224 4.634 1.00 0.00 H ATOM 475 N LEU A 63 10.165 17.406 4.420 1.00 23.08 N ATOM 476 CA LEU A 63 10.127 18.813 4.766 1.00 23.83 C ATOM 477 C LEU A 63 11.398 19.201 5.453 1.00 22.89 C ATOM 478 O LEU A 63 12.041 18.386 6.115 1.00 22.65 O ATOM 479 CB LEU A 63 8.979 19.096 5.763 1.00 26.92 C ATOM 480 CG LEU A 63 7.600 18.661 5.474 1.00 30.30 C ATOM 481 CD1 LEU A 63 6.770 18.895 6.722 1.00 32.06 C ATOM 482 CD2 LEU A 63 7.103 19.464 4.299 1.00 31.95 C ATOM 483 H LEU A 63 10.584 16.742 5.102 1.00 0.00 H ATOM 484 N ALA A 64 11.708 20.475 5.351 1.00 22.42 N ATOM 485 CA ALA A 64 12.799 21.093 6.086 1.00 22.09 C ATOM 486 C ALA A 64 12.478 22.550 6.225 1.00 22.69 C ATOM 487 O ALA A 64 11.647 23.086 5.514 1.00 23.92 O ATOM 488 CB ALA A 64 14.109 20.908 5.387 1.00 21.29 C ATOM 489 H ALA A 64 11.144 21.071 4.712 1.00 0.00 H ATOM 490 N GLN A 65 13.205 23.201 7.118 1.00 22.86 N ATOM 491 CA GLN A 65 13.060 24.619 7.386 1.00 23.44 C ATOM 492 C GLN A 65 14.424 25.215 7.617 1.00 22.04 C ATOM 493 O GLN A 65 15.403 24.492 7.749 1.00 21.79 O ATOM 494 CB GLN A 65 12.167 24.830 8.614 1.00 26.95 C ATOM 495 CG GLN A 65 12.696 24.214 9.879 1.00 29.38 C ATOM 496 CD GLN A 65 11.906 24.480 11.122 1.00 33.50 C ATOM 497 OE1 GLN A 65 11.244 23.577 11.615 1.00 39.23 O ATOM 498 NE2 GLN A 65 11.981 25.699 11.657 1.00 37.15 N ATOM 499 HE22 GLN A 65 12.558 26.433 11.199 1.00 0.00 H ATOM 500 HE21 GLN A 65 11.462 25.916 12.532 1.00 0.00 H ATOM 501 H GLN A 65 13.918 22.668 7.656 1.00 0.00 H ATOM 502 N GLY A 66 14.501 26.527 7.688 1.00 21.84 N ATOM 503 CA GLY A 66 15.747 27.177 8.112 1.00 22.02 C ATOM 504 C GLY A 66 16.790 27.221 7.010 1.00 21.86 C ATOM 505 O GLY A 66 17.916 27.589 7.311 1.00 22.66 O ATOM 506 H GLY A 66 13.674 27.107 7.442 1.00 0.00 H ATOM 507 N LEU A 67 16.459 26.829 5.785 1.00 21.64 N ATOM 508 CA LEU A 67 17.399 26.804 4.670 1.00 21.43 C ATOM 509 C LEU A 67 17.203 28.012 3.800 1.00 23.38 C ATOM 510 O LEU A 67 16.256 28.754 3.960 1.00 25.91 O ATOM 511 CB LEU A 67 17.228 25.545 3.819 1.00 20.76 C ATOM 512 CG LEU A 67 17.448 24.255 4.577 1.00 20.11 C ATOM 513 CD1 LEU A 67 16.789 23.086 3.879 1.00 20.80 C ATOM 514 CD2 LEU A 67 18.940 24.010 4.854 1.00 20.20 C ATOM 515 H LEU A 67 15.480 26.524 5.612 1.00 0.00 H ATOM 516 N ARG A 68 18.149 28.228 2.887 1.00 23.93 N ATOM 517 CA ARG A 68 18.028 29.216 1.829 1.00 26.45 C ATOM 518 C ARG A 68 18.405 28.505 0.557 1.00 25.95 C ATOM 519 O ARG A 68 19.476 27.915 0.459 1.00 22.80 O ATOM 520 CB ARG A 68 18.992 30.392 2.078 1.00 29.72 C ATOM 521 CG ARG A 68 19.035 31.427 0.957 1.00 34.45 C ATOM 522 CD ARG A 68 19.785 32.703 1.292 1.00 37.67 C ATOM 523 NE ARG A 68 21.098 32.485 1.912 1.00 41.17 N ATOM 524 CZ ARG A 68 22.296 32.575 1.315 1.00 43.72 C ATOM 525 NH1 ARG A 68 23.393 32.376 2.039 1.00 45.97 N ATOM 526 NH2 ARG A 68 22.466 32.912 0.031 1.00 47.35 N ATOM 527 HE ARG A 68 21.099 32.234 2.921 1.00 0.00 H ATOM 528 HH12 ARG A 68 24.330 32.442 1.592 1.00 0.00 H ATOM 529 HH11 ARG A 68 23.314 32.154 3.052 1.00 0.00 H ATOM 530 HH22 ARG A 68 23.424 32.963 -0.371 1.00 0.00 H ATOM 531 HH21 ARG A 68 21.640 33.122 -0.565 1.00 0.00 H ATOM 532 H ARG A 68 19.019 27.660 2.934 1.00 0.00 H ATOM 533 N LEU A 69 17.497 28.520 -0.429 1.00 26.24 N ATOM 534 CA LEU A 69 17.730 27.818 -1.690 1.00 29.40 C ATOM 535 C LEU A 69 18.332 28.792 -2.663 1.00 31.87 C ATOM 536 O LEU A 69 17.856 29.924 -2.797 1.00 35.56 O ATOM 537 CB LEU A 69 16.408 27.252 -2.195 1.00 29.48 C ATOM 538 CG LEU A 69 15.679 26.306 -1.240 1.00 30.36 C ATOM 539 CD1 LEU A 69 14.516 25.652 -1.962 1.00 32.34 C ATOM 540 CD2 LEU A 69 16.581 25.227 -0.632 1.00 30.17 C ATOM 541 H LEU A 69 16.608 29.042 -0.294 1.00 0.00 H ATOM 542 N ILE A 70 19.399 28.391 -3.330 1.00 31.98 N ATOM 543 CA ILE A 70 20.222 29.285 -4.141 1.00 35.47 C ATOM 544 C ILE A 70 20.138 28.898 -5.605 1.00 37.66 C ATOM 545 O ILE A 70 20.238 27.733 -5.948 1.00 35.89 O ATOM 546 CB ILE A 70 21.698 29.122 -3.748 1.00 37.37 C ATOM 547 CG1 ILE A 70 21.964 29.361 -2.260 1.00 38.74 C ATOM 548 CG2 ILE A 70 22.585 30.044 -4.569 1.00 39.85 C ATOM 549 CD1 ILE A 70 21.389 30.658 -1.784 1.00 39.70 C ATOM 550 H ILE A 70 19.667 27.388 -3.275 1.00 0.00 H ATOM 551 N GLY A 71 19.949 29.902 -6.461 1.00 40.39 N ATOM 552 CA GLY A 71 19.963 29.685 -7.908 1.00 42.03 C ATOM 553 C GLY A 71 18.717 29.051 -8.467 1.00 42.03 C ATOM 554 O GLY A 71 17.723 28.833 -7.778 1.00 44.56 O ATOM 555 H GLY A 71 19.788 30.861 -6.092 1.00 0.00 H ATOM 556 N ALA A 72 18.781 28.763 -9.756 1.00 42.80 N ATOM 557 CA ALA A 72 17.656 28.202 -10.495 1.00 40.61 C ATOM 558 C ALA A 72 17.768 26.671 -10.466 1.00 37.04 C ATOM 559 O ALA A 72 18.887 26.166 -10.453 1.00 37.62 O ATOM 560 CB ALA A 72 17.672 28.723 -11.920 1.00 41.83 C ATOM 561 H ALA A 72 19.670 28.944 -10.264 1.00 0.00 H ATOM 562 N PRO A 73 16.638 25.948 -10.484 1.00 34.04 N ATOM 563 CA PRO A 73 16.721 24.480 -10.497 1.00 31.67 C ATOM 564 C PRO A 73 17.430 23.917 -11.716 1.00 31.69 C ATOM 565 O PRO A 73 17.242 24.423 -12.847 1.00 33.15 O ATOM 566 CB PRO A 73 15.258 24.019 -10.490 1.00 32.40 C ATOM 567 CG PRO A 73 14.471 25.224 -10.026 1.00 32.57 C ATOM 568 CD PRO A 73 15.238 26.402 -10.517 1.00 34.18 C ATOM 569 N SER A 74 18.230 22.884 -11.515 1.00 29.37 N ATOM 570 CA SER A 74 18.931 22.218 -12.596 1.00 29.41 C ATOM 571 C SER A 74 18.671 20.740 -12.566 1.00 27.62 C ATOM 572 O SER A 74 18.674 20.144 -11.488 1.00 26.42 O ATOM 573 CB SER A 74 20.442 22.447 -12.486 1.00 30.22 C ATOM 574 OG SER A 74 21.073 21.808 -13.610 1.00 32.50 O ATOM 575 HG SER A 74 22.052 21.944 -13.558 1.00 0.00 H ATOM 576 H SER A 74 18.362 22.535 -10.544 1.00 0.00 H ATOM 577 N GLY A 75 18.467 20.119 -13.708 1.00 26.76 N ATOM 578 CA GLY A 75 18.376 18.663 -13.784 1.00 27.47 C ATOM 579 C GLY A 75 19.715 17.992 -13.956 1.00 29.31 C ATOM 580 O GLY A 75 19.822 16.778 -13.819 1.00 28.53 O ATOM 581 H GLY A 75 18.368 20.679 -14.579 1.00 0.00 H ATOM 582 N GLU A 76 20.745 18.772 -14.273 1.00 30.92 N ATOM 583 CA GLU A 76 22.066 18.238 -14.584 1.00 33.53 C ATOM 584 C GLU A 76 22.613 17.429 -13.393 1.00 29.85 C ATOM 585 O GLU A 76 22.598 17.877 -12.271 1.00 30.02 O ATOM 586 CB GLU A 76 23.029 19.360 -14.961 1.00 37.44 C ATOM 587 CG GLU A 76 24.127 18.923 -15.905 1.00 43.00 C ATOM 588 CD GLU A 76 25.113 20.026 -16.199 1.00 46.52 C ATOM 589 OE1 GLU A 76 25.915 19.863 -17.147 1.00 51.25 O ATOM 590 OE2 GLU A 76 25.107 21.033 -15.448 1.00 50.75 O ATOM 591 H GLU A 76 20.603 19.802 -14.300 1.00 0.00 H ATOM 592 N PHE A 77 23.076 16.224 -13.682 1.00 30.87 N ATOM 593 CA PHE A 77 23.692 15.324 -12.705 1.00 29.46 C ATOM 594 C PHE A 77 22.765 14.929 -11.543 1.00 26.78 C ATOM 595 O PHE A 77 23.247 14.480 -10.539 1.00 25.86 O ATOM 596 CB PHE A 77 24.985 15.901 -12.125 1.00 31.04 C ATOM 597 CG PHE A 77 25.906 16.521 -13.118 1.00 34.08 C ATOM 598 CD1 PHE A 77 26.603 15.745 -13.979 1.00 36.46 C ATOM 599 CD2 PHE A 77 26.080 17.907 -13.165 1.00 35.02 C ATOM 600 CE1 PHE A 77 27.506 16.295 -14.893 1.00 39.09 C ATOM 601 CE2 PHE A 77 26.959 18.470 -14.072 1.00 37.22 C ATOM 602 CZ PHE A 77 27.674 17.668 -14.928 1.00 38.67 C ATOM 603 H PHE A 77 22.998 15.895 -14.665 1.00 0.00 H ATOM 604 N SER A 78 21.457 15.065 -11.666 1.00 24.94 N ATOM 605 CA SER A 78 20.589 14.779 -10.563 1.00 23.17 C ATOM 606 C SER A 78 20.670 13.336 -10.140 1.00 23.31 C ATOM 607 O SER A 78 20.629 12.452 -10.956 1.00 24.60 O ATOM 608 CB SER A 78 19.125 15.069 -10.913 1.00 23.25 C ATOM 609 OG SER A 78 18.333 14.826 -9.781 1.00 22.52 O ATOM 610 HG SER A 78 17.385 15.011 -9.997 1.00 0.00 H ATOM 611 H SER A 78 21.054 15.382 -12.571 1.00 0.00 H ATOM 612 N TRP A 79 20.775 13.122 -8.826 1.00 23.20 N ATOM 613 CA TRP A 79 20.825 11.796 -8.241 1.00 23.81 C ATOM 614 C TRP A 79 19.456 11.123 -8.151 1.00 25.18 C ATOM 615 O TRP A 79 19.381 9.916 -7.806 1.00 25.77 O ATOM 616 CB TRP A 79 21.429 11.875 -6.859 1.00 23.84 C ATOM 617 CG TRP A 79 22.847 12.336 -6.842 1.00 23.37 C ATOM 618 CD1 TRP A 79 23.891 11.914 -7.630 1.00 24.49 C ATOM 619 CD2 TRP A 79 23.384 13.287 -5.941 1.00 22.10 C ATOM 620 NE1 TRP A 79 25.049 12.541 -7.244 1.00 23.81 N ATOM 621 CE2 TRP A 79 24.761 13.402 -6.211 1.00 22.52 C ATOM 622 CE3 TRP A 79 22.847 14.070 -4.924 1.00 21.30 C ATOM 623 CZ2 TRP A 79 25.577 14.271 -5.493 1.00 22.57 C ATOM 624 CZ3 TRP A 79 23.683 14.922 -4.215 1.00 21.08 C ATOM 625 CH2 TRP A 79 25.028 14.999 -4.498 1.00 22.09 C ATOM 626 HE1 TRP A 79 25.989 12.390 -7.663 1.00 0.00 H ATOM 627 H TRP A 79 20.823 13.945 -8.192 1.00 0.00 H ATOM 628 N PHE A 80 18.381 11.863 -8.430 1.00 23.47 N ATOM 629 CA PHE A 80 17.038 11.347 -8.272 1.00 24.23 C ATOM 630 C PHE A 80 16.303 11.608 -9.561 1.00 24.65 C ATOM 631 O PHE A 80 16.071 12.766 -9.931 1.00 23.39 O ATOM 632 CB PHE A 80 16.355 11.998 -7.081 1.00 23.50 C ATOM 633 CG PHE A 80 17.046 11.756 -5.789 1.00 23.38 C ATOM 634 CD1 PHE A 80 16.820 10.585 -5.095 1.00 24.21 C ATOM 635 CD2 PHE A 80 17.905 12.677 -5.288 1.00 22.50 C ATOM 636 CE1 PHE A 80 17.397 10.378 -3.834 1.00 24.84 C ATOM 637 CE2 PHE A 80 18.553 12.452 -4.059 1.00 23.00 C ATOM 638 CZ PHE A 80 18.286 11.295 -3.329 1.00 22.82 C ATOM 639 H PHE A 80 18.512 12.837 -8.770 1.00 0.00 H ATOM 640 N LYS A 81 15.958 10.518 -10.249 1.00 26.93 N ATOM 641 CA LYS A 81 15.393 10.630 -11.586 1.00 28.41 C ATOM 642 C LYS A 81 14.095 11.405 -11.584 1.00 27.18 C ATOM 643 O LYS A 81 13.237 11.177 -10.743 1.00 27.05 O ATOM 644 CB LYS A 81 15.168 9.238 -12.197 1.00 31.70 C ATOM 645 CG LYS A 81 14.509 9.273 -13.568 1.00 35.46 C ATOM 646 CD LYS A 81 14.588 7.918 -14.237 1.00 39.50 C ATOM 647 CE LYS A 81 13.713 7.833 -15.473 1.00 41.78 C ATOM 648 NZ LYS A 81 13.459 6.413 -15.861 1.00 45.89 N ATOM 649 HZ1 LYS A 81 14.364 5.943 -16.063 1.00 0.00 H ATOM 650 HZ2 LYS A 81 12.978 5.922 -15.080 1.00 0.00 H ATOM 651 HZ3 LYS A 81 12.858 6.389 -16.709 1.00 0.00 H ATOM 652 H LYS A 81 16.094 9.578 -9.825 1.00 0.00 H ATOM 653 N GLY A 82 13.979 12.362 -12.496 1.00 26.61 N ATOM 654 CA GLY A 82 12.793 13.196 -12.593 1.00 25.80 C ATOM 655 C GLY A 82 12.822 14.459 -11.794 1.00 24.31 C ATOM 656 O GLY A 82 11.948 15.285 -11.968 1.00 24.11 O ATOM 657 H GLY A 82 14.762 12.520 -13.162 1.00 0.00 H ATOM 658 N TYR A 83 13.876 14.664 -10.991 1.00 22.34 N ATOM 659 CA TYR A 83 13.981 15.856 -10.134 1.00 21.90 C ATOM 660 C TYR A 83 15.078 16.777 -10.534 1.00 21.96 C ATOM 661 O TYR A 83 16.141 16.330 -10.994 1.00 23.07 O ATOM 662 CB TYR A 83 14.193 15.491 -8.693 1.00 20.69 C ATOM 663 CG TYR A 83 13.069 14.710 -8.084 1.00 20.36 C ATOM 664 CD1 TYR A 83 13.058 13.339 -8.153 1.00 21.04 C ATOM 665 CD2 TYR A 83 12.000 15.353 -7.450 1.00 20.42 C ATOM 666 CE1 TYR A 83 12.072 12.582 -7.548 1.00 22.60 C ATOM 667 CE2 TYR A 83 10.974 14.607 -6.911 1.00 21.57 C ATOM 668 CZ TYR A 83 11.006 13.219 -6.979 1.00 22.18 C ATOM 669 OH TYR A 83 10.015 12.450 -6.426 1.00 23.64 O ATOM 670 HH TYR A 83 9.149 12.677 -6.848 1.00 0.00 H ATOM 671 H TYR A 83 14.642 13.960 -10.973 1.00 0.00 H ATOM 672 N ASP A 84 14.795 18.061 -10.399 1.00 22.49 N ATOM 673 CA ASP A 84 15.759 19.119 -10.602 1.00 23.11 C ATOM 674 C ASP A 84 16.153 19.566 -9.207 1.00 22.11 C ATOM 675 O ASP A 84 15.363 19.466 -8.283 1.00 22.46 O ATOM 676 CB ASP A 84 15.081 20.263 -11.377 1.00 25.86 C ATOM 677 CG ASP A 84 14.384 19.714 -12.624 1.00 28.71 C ATOM 678 OD1 ASP A 84 15.166 19.132 -13.409 1.00 31.67 O ATOM 679 OD2 ASP A 84 13.115 19.750 -12.828 1.00 32.17 O ATOM 680 H ASP A 84 13.825 18.325 -10.132 1.00 0.00 H ATOM 681 N TRP A 85 17.366 20.040 -9.059 1.00 21.76 N ATOM 682 CA TRP A 85 17.889 20.421 -7.729 1.00 21.42 C ATOM 683 C TRP A 85 18.340 21.850 -7.661 1.00 21.75 C ATOM 684 O TRP A 85 18.751 22.459 -8.671 1.00 22.98 O ATOM 685 CB TRP A 85 19.007 19.494 -7.295 1.00 22.14 C ATOM 686 CG TRP A 85 20.140 19.387 -8.246 1.00 22.61 C ATOM 687 CD1 TRP A 85 20.296 18.430 -9.193 1.00 23.81 C ATOM 688 CD2 TRP A 85 21.261 20.280 -8.384 1.00 23.75 C ATOM 689 NE1 TRP A 85 21.442 18.671 -9.900 1.00 24.92 N ATOM 690 CE2 TRP A 85 22.046 19.801 -9.434 1.00 25.14 C ATOM 691 CE3 TRP A 85 21.681 21.436 -7.704 1.00 24.28 C ATOM 692 CZ2 TRP A 85 23.233 20.426 -9.835 1.00 26.23 C ATOM 693 CZ3 TRP A 85 22.829 22.071 -8.098 1.00 25.64 C ATOM 694 CH2 TRP A 85 23.603 21.568 -9.167 1.00 25.82 C ATOM 695 HE1 TRP A 85 21.799 18.080 -10.678 1.00 0.00 H ATOM 696 H TRP A 85 17.974 20.151 -9.895 1.00 0.00 H ATOM 697 N THR A 86 18.288 22.363 -6.423 1.00 21.66 N ATOM 698 CA THR A 86 18.866 23.652 -6.076 1.00 21.92 C ATOM 699 C THR A 86 19.681 23.401 -4.821 1.00 21.25 C ATOM 700 O THR A 86 19.306 22.599 -3.982 1.00 21.30 O ATOM 701 CB THR A 86 17.862 24.756 -5.797 1.00 22.86 C ATOM 702 OG1 THR A 86 16.899 24.350 -4.798 1.00 23.77 O ATOM 703 CG2 THR A 86 17.233 25.241 -7.113 1.00 24.26 C ATOM 704 HG1 THR A 86 16.409 23.552 -5.119 1.00 0.00 H ATOM 705 H THR A 86 17.813 21.815 -5.678 1.00 0.00 H ATOM 706 N ILE A 87 20.807 24.088 -4.733 1.00 21.25 N ATOM 707 CA ILE A 87 21.645 24.029 -3.506 1.00 20.46 C ATOM 708 C ILE A 87 20.855 24.617 -2.337 1.00 20.25 C ATOM 709 O ILE A 87 20.220 25.707 -2.459 1.00 21.26 O ATOM 710 CB ILE A 87 22.973 24.752 -3.765 1.00 21.90 C ATOM 711 CG1 ILE A 87 23.826 23.865 -4.691 1.00 22.92 C ATOM 712 CG2 ILE A 87 23.701 25.087 -2.448 1.00 21.20 C ATOM 713 CD1 ILE A 87 25.060 24.494 -5.257 1.00 25.55 C ATOM 714 H ILE A 87 21.111 24.678 -5.533 1.00 0.00 H ATOM 715 N ALA A 88 20.939 23.932 -1.186 1.00 18.66 N ATOM 716 CA ALA A 88 20.266 24.363 0.033 1.00 18.07 C ATOM 717 C ALA A 88 21.344 24.703 1.040 1.00 17.75 C ATOM 718 O ALA A 88 22.093 23.832 1.494 1.00 18.29 O ATOM 719 CB ALA A 88 19.352 23.310 0.568 1.00 18.01 C ATOM 720 H ALA A 88 21.506 23.060 -1.163 1.00 0.00 H ATOM 721 N LEU A 89 21.394 25.980 1.406 1.00 18.21 N ATOM 722 CA LEU A 89 22.296 26.416 2.460 1.00 17.73 C ATOM 723 C LEU A 89 21.551 26.603 3.757 1.00 18.10 C ATOM 724 O LEU A 89 20.360 26.890 3.769 1.00 19.64 O ATOM 725 CB LEU A 89 22.919 27.762 2.058 1.00 19.34 C ATOM 726 CG LEU A 89 23.638 27.847 0.714 1.00 20.02 C ATOM 727 CD1 LEU A 89 24.204 29.249 0.601 1.00 22.01 C ATOM 728 CD2 LEU A 89 24.712 26.761 0.596 1.00 19.46 C ATOM 729 H LEU A 89 20.781 26.675 0.933 1.00 0.00 H ATOM 730 N CYS A 90 22.258 26.474 4.863 1.00 17.61 N ATOM 731 CA CYS A 90 21.720 26.951 6.151 1.00 17.91 C ATOM 732 C CYS A 90 21.400 28.427 5.980 1.00 18.36 C ATOM 733 O CYS A 90 22.261 29.231 5.585 1.00 19.24 O ATOM 734 CB CYS A 90 22.761 26.805 7.237 1.00 18.03 C ATOM 735 SG CYS A 90 22.192 27.348 8.879 1.00 18.70 S ATOM 736 H CYS A 90 23.200 26.034 4.827 1.00 0.00 H ATOM 737 N GLY A 91 20.140 28.786 6.278 1.00 18.49 N ATOM 738 CA GLY A 91 19.693 30.180 6.184 1.00 19.54 C ATOM 739 C GLY A 91 20.328 31.103 7.197 1.00 19.74 C ATOM 740 O GLY A 91 20.323 32.327 7.012 1.00 22.19 O ATOM 741 H GLY A 91 19.464 28.057 6.583 1.00 0.00 H ATOM 742 N GLN A 92 20.865 30.524 8.271 1.00 19.50 N ATOM 743 CA GLN A 92 21.528 31.300 9.293 1.00 20.56 C ATOM 744 C GLN A 92 23.018 31.546 8.977 1.00 20.25 C ATOM 745 O GLN A 92 23.472 32.675 8.895 1.00 21.74 O ATOM 746 CB GLN A 92 21.298 30.617 10.643 1.00 20.56 C ATOM 747 CG GLN A 92 21.872 31.345 11.842 1.00 21.46 C ATOM 748 CD GLN A 92 21.174 30.935 13.117 1.00 21.31 C ATOM 749 OE1 GLN A 92 20.231 31.620 13.541 1.00 23.11 O ATOM 750 NE2 GLN A 92 21.592 29.817 13.714 1.00 20.50 N ATOM 751 HE22 GLN A 92 22.389 29.281 13.315 1.00 0.00 H ATOM 752 HE21 GLN A 92 21.121 29.482 14.579 1.00 0.00 H ATOM 753 H GLN A 92 20.805 29.491 8.375 1.00 0.00 H ATOM 754 N CYS A 93 23.767 30.474 8.774 1.00 20.48 N ATOM 755 CA CYS A 93 25.230 30.558 8.662 1.00 20.45 C ATOM 756 C CYS A 93 25.816 30.330 7.283 1.00 20.19 C ATOM 757 O CYS A 93 27.009 30.576 7.111 1.00 21.65 O ATOM 758 CB CYS A 93 25.878 29.621 9.628 1.00 20.32 C ATOM 759 SG CYS A 93 25.983 27.869 9.160 1.00 19.33 S ATOM 760 H CYS A 93 23.307 29.545 8.691 1.00 0.00 H ATOM 761 N GLY A 94 25.004 29.853 6.323 1.00 19.88 N ATOM 762 CA GLY A 94 25.467 29.639 4.967 1.00 19.50 C ATOM 763 C GLY A 94 26.112 28.293 4.713 1.00 19.14 C ATOM 764 O GLY A 94 26.540 28.028 3.587 1.00 20.04 O ATOM 765 H GLY A 94 24.016 29.632 6.561 1.00 0.00 H ATOM 766 N SER A 95 26.225 27.425 5.716 1.00 19.15 N ATOM 767 CA SER A 95 26.754 26.045 5.532 1.00 18.53 C ATOM 768 C SER A 95 25.955 25.321 4.454 1.00 17.91 C ATOM 769 O SER A 95 24.747 25.413 4.399 1.00 17.79 O ATOM 770 CB SER A 95 26.739 25.271 6.836 1.00 19.82 C ATOM 771 OG SER A 95 27.235 23.940 6.670 1.00 20.20 O ATOM 772 HG SER A 95 28.168 23.975 6.340 1.00 0.00 H ATOM 773 H SER A 95 25.932 27.723 6.668 1.00 0.00 H ATOM 774 N HIS A 96 26.647 24.628 3.553 1.00 18.25 N ATOM 775 CA HIS A 96 25.936 23.875 2.530 1.00 17.45 C ATOM 776 C HIS A 96 25.409 22.575 3.120 1.00 16.97 C ATOM 777 O HIS A 96 26.170 21.655 3.385 1.00 18.05 O ATOM 778 CB HIS A 96 26.854 23.590 1.345 1.00 18.73 C ATOM 779 CG HIS A 96 26.178 22.788 0.298 1.00 19.16 C ATOM 780 ND1 HIS A 96 26.881 22.044 -0.617 1.00 21.39 N ATOM 781 CD2 HIS A 96 24.858 22.603 0.023 1.00 19.65 C ATOM 782 CE1 HIS A 96 26.026 21.442 -1.417 1.00 20.15 C ATOM 783 NE2 HIS A 96 24.792 21.730 -1.025 1.00 20.53 N ATOM 784 H HIS A 96 27.687 24.624 3.579 1.00 0.00 H ATOM 785 N LEU A 97 24.109 22.508 3.364 1.00 15.94 N ATOM 786 CA LEU A 97 23.500 21.373 4.051 1.00 16.33 C ATOM 787 C LEU A 97 22.924 20.294 3.130 1.00 16.63 C ATOM 788 O LEU A 97 22.722 19.164 3.549 1.00 17.09 O ATOM 789 CB LEU A 97 22.411 21.855 5.023 1.00 16.97 C ATOM 790 CG LEU A 97 22.919 22.768 6.150 1.00 17.52 C ATOM 791 CD1 LEU A 97 21.830 23.030 7.145 1.00 18.38 C ATOM 792 CD2 LEU A 97 24.106 22.168 6.881 1.00 18.51 C ATOM 793 H LEU A 97 23.500 23.292 3.055 1.00 0.00 H ATOM 794 N GLY A 98 22.653 20.636 1.876 1.00 16.94 N ATOM 795 CA GLY A 98 22.212 19.691 0.890 1.00 16.73 C ATOM 796 C GLY A 98 21.556 20.336 -0.298 1.00 17.04 C ATOM 797 O GLY A 98 22.061 21.334 -0.827 1.00 17.46 O ATOM 798 H GLY A 98 22.765 21.631 1.596 1.00 0.00 H ATOM 799 N TRP A 99 20.435 19.769 -0.730 1.00 17.18 N ATOM 800 CA TRP A 99 19.759 20.187 -1.968 1.00 17.99 C ATOM 801 C TRP A 99 18.262 20.078 -1.771 1.00 18.03 C ATOM 802 O TRP A 99 17.783 19.215 -1.049 1.00 17.60 O ATOM 803 CB TRP A 99 20.206 19.355 -3.167 1.00 18.61 C ATOM 804 CG TRP A 99 21.697 19.334 -3.370 1.00 18.95 C ATOM 805 CD1 TRP A 99 22.409 20.153 -4.168 1.00 19.06 C ATOM 806 CD2 TRP A 99 22.645 18.504 -2.680 1.00 18.60 C ATOM 807 NE1 TRP A 99 23.766 19.879 -4.037 1.00 19.63 N ATOM 808 CE2 TRP A 99 23.917 18.852 -3.144 1.00 19.26 C ATOM 809 CE3 TRP A 99 22.524 17.479 -1.729 1.00 18.73 C ATOM 810 CZ2 TRP A 99 25.086 18.247 -2.647 1.00 19.87 C ATOM 811 CZ3 TRP A 99 23.708 16.874 -1.239 1.00 19.00 C ATOM 812 CH2 TRP A 99 24.945 17.256 -1.741 1.00 19.73 C ATOM 813 HE1 TRP A 99 24.536 20.371 -4.533 1.00 0.00 H ATOM 814 H TRP A 99 20.018 18.998 -0.170 1.00 0.00 H ATOM 815 N HIS A 100 17.537 20.946 -2.484 1.00 19.24 N ATOM 816 CA HIS A 100 16.102 20.825 -2.602 1.00 19.41 C ATOM 817 C HIS A 100 15.806 20.311 -3.997 1.00 19.48 C ATOM 818 O HIS A 100 16.388 20.807 -4.953 1.00 21.04 O ATOM 819 CB HIS A 100 15.386 22.137 -2.378 1.00 20.33 C ATOM 820 CG HIS A 100 13.894 22.010 -2.333 1.00 21.30 C ATOM 821 ND1 HIS A 100 13.060 22.667 -3.226 1.00 25.12 N ATOM 822 CD2 HIS A 100 13.085 21.278 -1.532 1.00 22.18 C ATOM 823 CE1 HIS A 100 11.805 22.380 -2.935 1.00 23.71 C ATOM 824 NE2 HIS A 100 11.788 21.526 -1.934 1.00 23.47 N ATOM 825 H HIS A 100 18.019 21.730 -2.967 1.00 0.00 H ATOM 826 N TYR A 101 14.917 19.332 -4.031 1.00 19.48 N ATOM 827 CA TYR A 101 14.497 18.682 -5.267 1.00 19.09 C ATOM 828 C TYR A 101 13.077 19.061 -5.605 1.00 20.27 C ATOM 829 O TYR A 101 12.206 19.088 -4.752 1.00 20.16 O ATOM 830 CB TYR A 101 14.651 17.158 -5.109 1.00 18.56 C ATOM 831 CG TYR A 101 16.106 16.762 -5.043 1.00 18.30 C ATOM 832 CD1 TYR A 101 16.853 16.547 -6.195 1.00 18.99 C ATOM 833 CD2 TYR A 101 16.748 16.683 -3.824 1.00 18.14 C ATOM 834 CE1 TYR A 101 18.217 16.215 -6.109 1.00 19.12 C ATOM 835 CE2 TYR A 101 18.098 16.331 -3.741 1.00 18.42 C ATOM 836 CZ TYR A 101 18.817 16.147 -4.877 1.00 18.96 C ATOM 837 OH TYR A 101 20.153 15.821 -4.789 1.00 20.64 O ATOM 838 HH TYR A 101 20.528 15.723 -5.700 1.00 0.00 H ATOM 839 H TYR A 101 14.498 19.011 -3.135 1.00 0.00 H ATOM 840 N GLU A 102 12.838 19.309 -6.874 1.00 21.03 N ATOM 841 CA GLU A 102 11.494 19.646 -7.359 1.00 22.60 C ATOM 842 C GLU A 102 11.301 19.144 -8.765 1.00 21.80 C ATOM 843 O GLU A 102 12.229 18.700 -9.421 1.00 22.13 O ATOM 844 CB GLU A 102 11.227 21.148 -7.279 1.00 26.20 C ATOM 845 CG GLU A 102 12.123 21.997 -8.152 1.00 29.88 C ATOM 846 CD GLU A 102 12.050 23.475 -7.738 1.00 35.46 C ATOM 847 OE1 GLU A 102 10.982 24.129 -7.914 1.00 40.37 O ATOM 848 OE2 GLU A 102 13.062 23.994 -7.228 1.00 36.81 O ATOM 849 H GLU A 102 13.624 19.265 -7.554 1.00 0.00 H ATOM 850 N GLY A 103 10.054 19.199 -9.191 1.00 21.34 N ATOM 851 CA GLY A 103 9.737 18.904 -10.560 1.00 21.88 C ATOM 852 C GLY A 103 9.421 17.444 -10.860 1.00 22.20 C ATOM 853 O GLY A 103 9.155 17.119 -12.027 1.00 22.96 O ATOM 854 H GLY A 103 9.294 19.458 -8.530 1.00 0.00 H ATOM 855 N GLY A 104 9.430 16.584 -9.836 1.00 21.62 N ATOM 856 CA GLY A 104 9.171 15.167 -10.031 1.00 23.09 C ATOM 857 C GLY A 104 7.791 14.754 -9.651 1.00 24.63 C ATOM 858 O GLY A 104 6.867 15.561 -9.670 1.00 24.53 O ATOM 859 H GLY A 104 9.627 16.937 -8.878 1.00 0.00 H ATOM 860 N SER A 105 7.636 13.467 -9.270 1.00 27.20 N ATOM 861 CA SER A 105 6.301 12.930 -8.957 1.00 29.62 C ATOM 862 C SER A 105 6.397 12.030 -7.733 1.00 29.24 C ATOM 863 O SER A 105 7.318 11.241 -7.624 1.00 30.89 O ATOM 864 CB SER A 105 5.768 12.134 -10.134 1.00 32.18 C ATOM 865 OG SER A 105 5.950 12.825 -11.357 1.00 33.57 O ATOM 866 HG SER A 105 5.592 12.278 -12.100 1.00 0.00 H ATOM 867 H SER A 105 8.469 12.849 -9.197 1.00 0.00 H ATOM 868 N GLN A 106 5.478 12.210 -6.797 1.00 29.74 N ATOM 869 CA GLN A 106 5.304 11.293 -5.677 1.00 30.85 C ATOM 870 C GLN A 106 6.599 11.090 -4.890 1.00 29.64 C ATOM 871 O GLN A 106 7.126 9.983 -4.818 1.00 31.27 O ATOM 872 CB GLN A 106 4.716 9.973 -6.173 1.00 33.21 C ATOM 873 CG GLN A 106 4.117 9.159 -5.046 1.00 36.00 C ATOM 874 CD GLN A 106 3.072 8.156 -5.476 1.00 37.60 C ATOM 875 OE1 GLN A 106 2.556 8.170 -6.594 1.00 41.43 O ATOM 876 NE2 GLN A 106 2.697 7.320 -4.537 1.00 41.67 N ATOM 877 HE22 GLN A 106 3.160 7.342 -3.606 1.00 0.00 H ATOM 878 HE21 GLN A 106 1.937 6.635 -4.724 1.00 0.00 H ATOM 879 H GLN A 106 4.855 13.040 -6.863 1.00 0.00 H ATOM 880 N PRO A 107 7.131 12.149 -4.275 1.00 26.75 N ATOM 881 CA PRO A 107 6.541 13.458 -4.175 1.00 26.00 C ATOM 882 C PRO A 107 6.993 14.389 -5.267 1.00 24.49 C ATOM 883 O PRO A 107 8.014 14.151 -5.903 1.00 23.75 O ATOM 884 CB PRO A 107 7.067 13.940 -2.831 1.00 26.08 C ATOM 885 CG PRO A 107 8.390 13.337 -2.717 1.00 25.70 C ATOM 886 CD PRO A 107 8.278 12.017 -3.364 1.00 25.85 C ATOM 887 N GLN A 108 6.304 15.504 -5.415 1.00 24.44 N ATOM 888 CA GLN A 108 6.806 16.540 -6.316 1.00 25.03 C ATOM 889 C GLN A 108 8.118 17.154 -5.872 1.00 23.35 C ATOM 890 O GLN A 108 8.952 17.472 -6.710 1.00 21.57 O ATOM 891 CB GLN A 108 5.767 17.617 -6.503 1.00 26.54 C ATOM 892 CG GLN A 108 4.568 17.137 -7.309 1.00 28.60 C ATOM 893 CD GLN A 108 3.523 18.229 -7.460 1.00 30.56 C ATOM 894 OE1 GLN A 108 3.319 19.029 -6.565 1.00 33.96 O ATOM 895 NE2 GLN A 108 2.867 18.262 -8.587 1.00 32.69 N ATOM 896 HE22 GLN A 108 3.070 17.561 -9.328 1.00 0.00 H ATOM 897 HE21 GLN A 108 2.141 18.990 -8.745 1.00 0.00 H ATOM 898 H GLN A 108 5.414 15.645 -4.896 1.00 0.00 H ATOM 899 N THR A 109 8.289 17.326 -4.565 1.00 23.15 N ATOM 900 CA THR A 109 9.455 17.965 -3.990 1.00 22.74 C ATOM 901 C THR A 109 9.921 17.227 -2.733 1.00 21.87 C ATOM 902 O THR A 109 9.126 16.593 -2.056 1.00 22.57 O ATOM 903 CB THR A 109 9.185 19.445 -3.602 1.00 24.87 C ATOM 904 OG1 THR A 109 8.261 19.478 -2.494 1.00 26.51 O ATOM 905 CG2 THR A 109 8.554 20.211 -4.748 1.00 25.91 C ATOM 906 HG1 THR A 109 8.654 18.996 -1.724 1.00 0.00 H ATOM 907 H THR A 109 7.547 16.984 -3.922 1.00 0.00 H ATOM 908 N PHE A 110 11.203 17.343 -2.415 1.00 20.79 N ATOM 909 CA PHE A 110 11.715 16.849 -1.135 1.00 20.65 C ATOM 910 C PHE A 110 13.115 17.462 -0.954 1.00 19.20 C ATOM 911 O PHE A 110 13.637 18.163 -1.852 1.00 19.10 O ATOM 912 CB PHE A 110 11.782 15.314 -1.109 1.00 20.65 C ATOM 913 CG PHE A 110 12.774 14.732 -2.066 1.00 21.01 C ATOM 914 CD1 PHE A 110 12.450 14.532 -3.387 1.00 21.48 C ATOM 915 CD2 PHE A 110 14.051 14.402 -1.661 1.00 20.33 C ATOM 916 CE1 PHE A 110 13.373 14.027 -4.288 1.00 21.76 C ATOM 917 CE2 PHE A 110 14.980 13.873 -2.576 1.00 20.80 C ATOM 918 CZ PHE A 110 14.642 13.707 -3.888 1.00 21.53 C ATOM 919 H PHE A 110 11.857 17.793 -3.087 1.00 0.00 H ATOM 920 N PHE A 111 13.719 17.192 0.210 1.00 18.83 N ATOM 921 CA PHE A 111 15.085 17.656 0.474 1.00 18.30 C ATOM 922 C PHE A 111 16.017 16.480 0.657 1.00 18.21 C ATOM 923 O PHE A 111 15.686 15.488 1.284 1.00 18.62 O ATOM 924 CB PHE A 111 15.166 18.443 1.790 1.00 19.35 C ATOM 925 CG PHE A 111 14.437 19.735 1.757 1.00 20.44 C ATOM 926 CD1 PHE A 111 13.072 19.762 2.063 1.00 21.93 C ATOM 927 CD2 PHE A 111 15.098 20.922 1.441 1.00 21.09 C ATOM 928 CE1 PHE A 111 12.390 20.939 2.044 1.00 23.35 C ATOM 929 CE2 PHE A 111 14.394 22.125 1.447 1.00 22.83 C ATOM 930 CZ PHE A 111 13.051 22.118 1.742 1.00 22.95 C ATOM 931 H PHE A 111 13.213 16.646 0.936 1.00 0.00 H ATOM 932 N GLY A 112 17.223 16.589 0.067 1.00 17.14 N ATOM 933 CA GLY A 112 18.303 15.657 0.356 1.00 17.70 C ATOM 934 C GLY A 112 19.374 16.373 1.142 1.00 17.53 C ATOM 935 O GLY A 112 19.996 17.306 0.615 1.00 18.53 O ATOM 936 H GLY A 112 17.387 17.359 -0.613 1.00 0.00 H ATOM 937 N LEU A 113 19.523 16.003 2.409 1.00 17.12 N ATOM 938 CA LEU A 113 20.427 16.713 3.303 1.00 17.83 C ATOM 939 C LEU A 113 21.596 15.818 3.670 1.00 18.37 C ATOM 940 O LEU A 113 21.478 14.602 3.802 1.00 18.79 O ATOM 941 CB LEU A 113 19.682 17.152 4.550 1.00 18.76 C ATOM 942 CG LEU A 113 18.504 18.091 4.290 1.00 18.66 C ATOM 943 CD1 LEU A 113 17.869 18.482 5.630 1.00 19.65 C ATOM 944 CD2 LEU A 113 18.868 19.315 3.482 1.00 18.70 C ATOM 945 H LEU A 113 18.983 15.190 2.770 1.00 0.00 H ATOM 946 N ILE A 114 22.742 16.446 3.863 1.00 18.73 N ATOM 947 CA ILE A 114 23.996 15.714 4.115 1.00 18.85 C ATOM 948 C ILE A 114 24.061 15.371 5.610 1.00 19.69 C ATOM 949 O ILE A 114 24.153 16.266 6.450 1.00 19.37 O ATOM 950 CB ILE A 114 25.195 16.545 3.684 1.00 18.56 C ATOM 951 CG1 ILE A 114 25.121 16.911 2.196 1.00 18.24 C ATOM 952 CG2 ILE A 114 26.497 15.790 3.962 1.00 18.92 C ATOM 953 CD1 ILE A 114 25.934 18.119 1.813 1.00 18.51 C ATOM 954 H ILE A 114 22.760 17.486 3.836 1.00 0.00 H ATOM 955 N LYS A 115 23.989 14.096 5.926 1.00 20.75 N ATOM 956 CA LYS A 115 23.783 13.647 7.314 1.00 22.30 C ATOM 957 C LYS A 115 24.832 14.202 8.270 1.00 22.00 C ATOM 958 O LYS A 115 24.497 14.671 9.367 1.00 23.58 O ATOM 959 CB LYS A 115 23.729 12.118 7.410 1.00 24.85 C ATOM 960 CG LYS A 115 23.599 11.573 8.821 1.00 27.80 C ATOM 961 CD LYS A 115 22.319 11.966 9.542 1.00 30.31 C ATOM 962 CE LYS A 115 22.134 11.137 10.821 1.00 32.54 C ATOM 963 NZ LYS A 115 23.125 11.353 11.924 1.00 34.57 N ATOM 964 HZ1 LYS A 115 24.080 11.126 11.580 1.00 0.00 H ATOM 965 HZ2 LYS A 115 23.092 12.347 12.228 1.00 0.00 H ATOM 966 HZ3 LYS A 115 22.889 10.735 12.727 1.00 0.00 H ATOM 967 H LYS A 115 24.080 13.384 5.174 1.00 0.00 H ATOM 968 N ASP A 116 26.114 14.160 7.855 1.00 21.58 N ATOM 969 CA ASP A 116 27.183 14.578 8.754 1.00 22.65 C ATOM 970 C ASP A 116 27.283 16.103 8.922 1.00 21.33 C ATOM 971 O ASP A 116 28.097 16.564 9.699 1.00 22.40 O ATOM 972 CB ASP A 116 28.524 13.920 8.418 1.00 25.82 C ATOM 973 CG ASP A 116 29.132 14.420 7.141 1.00 30.05 C ATOM 974 OD1 ASP A 116 28.545 15.264 6.515 1.00 33.52 O ATOM 975 OD2 ASP A 116 30.235 14.061 6.804 1.00 35.77 O ATOM 976 H ASP A 116 26.340 13.830 6.895 1.00 0.00 H ATOM 977 N ARG A 117 26.482 16.873 8.189 1.00 18.94 N ATOM 978 CA ARG A 117 26.435 18.321 8.361 1.00 18.75 C ATOM 979 C ARG A 117 25.280 18.772 9.243 1.00 17.65 C ATOM 980 O ARG A 117 25.078 19.974 9.424 1.00 18.41 O ATOM 981 CB ARG A 117 26.411 19.007 7.000 1.00 19.23 C ATOM 982 CG ARG A 117 27.633 18.637 6.206 1.00 20.56 C ATOM 983 CD ARG A 117 27.786 19.431 4.925 1.00 20.93 C ATOM 984 NE ARG A 117 28.893 18.916 4.119 1.00 21.15 N ATOM 985 CZ ARG A 117 29.286 19.442 2.964 1.00 22.39 C ATOM 986 NH1 ARG A 117 28.657 20.513 2.435 1.00 22.31 N ATOM 987 NH2 ARG A 117 30.319 18.923 2.313 1.00 23.40 N ATOM 988 HE ARG A 117 29.406 18.084 4.473 1.00 0.00 H ATOM 989 HH12 ARG A 117 28.979 20.911 1.530 1.00 0.00 H ATOM 990 HH11 ARG A 117 27.850 20.940 2.933 1.00 0.00 H ATOM 991 HH22 ARG A 117 30.625 19.336 1.409 1.00 0.00 H ATOM 992 HH21 ARG A 117 30.823 18.103 2.707 1.00 0.00 H ATOM 993 H ARG A 117 25.872 16.430 7.473 1.00 0.00 H ATOM 994 N LEU A 118 24.534 17.815 9.781 1.00 17.81 N ATOM 995 CA LEU A 118 23.435 18.069 10.716 1.00 17.95 C ATOM 996 C LEU A 118 23.810 17.471 12.066 1.00 18.71 C ATOM 997 O LEU A 118 24.543 16.479 12.143 1.00 20.80 O ATOM 998 CB LEU A 118 22.175 17.415 10.225 1.00 18.82 C ATOM 999 CG LEU A 118 21.709 17.815 8.807 1.00 19.30 C ATOM 1000 CD1 LEU A 118 20.560 16.943 8.391 1.00 20.45 C ATOM 1001 CD2 LEU A 118 21.326 19.284 8.811 1.00 19.58 C ATOM 1002 H LEU A 118 24.741 16.829 9.524 1.00 0.00 H ATOM 1003 N ALA A 119 23.278 18.053 13.124 1.00 19.16 N ATOM 1004 CA ALA A 119 23.373 17.489 14.460 1.00 19.11 C ATOM 1005 C ALA A 119 21.980 17.090 14.910 1.00 19.52 C ATOM 1006 O ALA A 119 21.063 17.868 14.812 1.00 19.71 O ATOM 1007 CB ALA A 119 23.948 18.508 15.402 1.00 18.95 C ATOM 1008 H ALA A 119 22.770 18.952 12.997 1.00 0.00 H ATOM 1009 N GLU A 120 21.849 15.860 15.376 1.00 20.09 N ATOM 1010 CA GLU A 120 20.585 15.312 15.826 1.00 21.74 C ATOM 1011 C GLU A 120 20.450 15.340 17.346 1.00 22.14 C ATOM 1012 O GLU A 120 21.376 15.050 18.064 1.00 20.00 O ATOM 1013 CB GLU A 120 20.460 13.869 15.313 1.00 24.14 C ATOM 1014 CG GLU A 120 19.028 13.349 15.428 1.00 27.05 C ATOM 1015 CD GLU A 120 18.839 11.996 14.768 1.00 30.00 C ATOM 1016 OE1 GLU A 120 19.831 11.422 14.246 1.00 33.06 O ATOM 1017 OE2 GLU A 120 17.692 11.509 14.793 1.00 33.05 O ATOM 1018 H GLU A 120 22.694 15.256 15.422 1.00 0.00 H ATOM 1019 N GLY A 121 19.278 15.696 17.841 1.00 22.55 N ATOM 1020 CA GLY A 121 19.123 15.935 19.267 1.00 23.66 C ATOM 1021 C GLY A 121 17.668 16.106 19.683 1.00 24.62 C ATOM 1022 O GLY A 121 16.736 15.941 18.888 1.00 24.80 O ATOM 1023 H GLY A 121 18.461 15.806 17.207 1.00 0.00 H ATOM 1024 N PRO A 122 17.476 16.406 20.960 1.00 26.99 N ATOM 1025 CA PRO A 122 16.131 16.505 21.506 1.00 29.44 C ATOM 1026 C PRO A 122 15.359 17.725 21.011 1.00 32.43 C ATOM 1027 O PRO A 122 15.969 18.729 20.621 1.00 34.70 O ATOM 1028 CB PRO A 122 16.387 16.553 23.016 1.00 30.56 C ATOM 1029 CG PRO A 122 17.732 17.087 23.184 1.00 29.24 C ATOM 1030 CD PRO A 122 18.499 16.621 21.989 1.00 27.39 C ATOM 1031 N ALA A 123 14.026 17.601 20.988 1.00 35.59 N ATOM 1032 CA ALA A 123 13.129 18.713 20.665 1.00 38.01 C ATOM 1033 C ALA A 123 13.027 19.645 21.862 1.00 41.18 C ATOM 1034 O ALA A 123 13.800 20.585 21.970 1.00 44.36 O ATOM 1035 CB ALA A 123 11.742 18.197 20.292 1.00 40.46 C ATOM 1036 H ALA A 123 13.609 16.674 21.209 1.00 0.00 H TER 1037 ALA A 123 HETATM 1038 ZN ZN A 1 24.119 26.906 10.086 1.00 18.93 ZN HETATM 1039 O HOH 2 14.204 24.193 -5.198 1.00 42.07 O HETATM 1040 O HOH 3 22.543 31.513 4.160 1.00 36.73 O HETATM 1041 O HOH 4 11.896 21.769 -11.981 1.00 39.44 O HETATM 1042 O HOH 5 28.274 28.039 1.753 1.00 43.51 O HETATM 1043 O HOH 6 8.157 11.486 4.976 1.00 27.41 O HETATM 1044 O HOH 7 14.911 18.542 -15.857 1.00 30.61 O HETATM 1045 O HOH 8 15.075 22.466 -7.042 1.00 40.32 O HETATM 1046 O HOH 9 30.734 23.445 1.354 1.00 49.46 O HETATM 1047 O HOH 10 12.611 9.353 -9.074 1.00 40.18 O HETATM 1048 O HOH 11 28.631 12.702 3.762 1.00 25.03 O HETATM 1049 O HOH 12 33.586 15.334 -13.082 1.00 50.46 O HETATM 1050 O HOH 13 8.120 15.876 0.203 1.00 29.23 O HETATM 1051 O HOH 14 11.123 8.724 10.782 1.00 43.18 O HETATM 1052 O HOH 15 1.047 8.558 -8.667 1.00 37.64 O HETATM 1053 O HOH 16 29.834 24.112 6.578 1.00 34.20 O HETATM 1054 O HOH 17 20.870 6.695 -4.530 1.00 47.62 O HETATM 1055 O HOH 18 29.092 30.028 5.584 1.00 44.08 O HETATM 1056 O HOH 19 12.965 15.774 22.988 1.00 38.42 O HETATM 1057 O HOH 20 23.419 13.982 12.151 1.00 33.08 O HETATM 1058 O HOH 21 9.672 19.811 -0.256 1.00 41.87 O HETATM 1059 O HOH 22 9.916 23.148 -10.153 1.00 50.26 O HETATM 1060 O HOH 23 31.691 15.908 8.063 1.00 33.34 O HETATM 1061 O HOH 24 21.563 25.721 -7.110 1.00 27.92 O HETATM 1062 O HOH 25 16.387 21.356 20.263 1.00 29.64 O HETATM 1063 O HOH 26 4.273 19.502 -4.089 1.00 41.13 O HETATM 1064 O HOH 27 31.850 23.380 13.948 1.00 35.75 O HETATM 1065 O HOH 28 24.582 4.390 -3.976 1.00 36.59 O HETATM 1066 O HOH 29 20.243 12.434 18.381 1.00 33.29 O HETATM 1067 O HOH 30 28.332 32.610 8.355 1.00 35.67 O HETATM 1068 O HOH 31 29.901 22.592 15.626 1.00 24.84 O HETATM 1069 O HOH 32 32.285 20.550 10.448 1.00 42.61 O HETATM 1070 O HOH 33 10.573 15.560 -14.323 1.00 24.84 O HETATM 1071 O HOH 34 6.876 9.917 10.737 1.00 46.92 O HETATM 1072 O HOH 35 6.452 17.410 1.854 1.00 40.97 O HETATM 1073 O HOH 36 4.223 7.690 -2.263 1.00 47.33 O HETATM 1074 O HOH 37 20.739 24.460 -9.295 1.00 28.96 O HETATM 1075 O HOH 38 16.649 7.980 -9.365 1.00 34.92 O HETATM 1076 O HOH 39 30.924 19.985 14.846 1.00 34.88 O HETATM 1077 O HOH 40 6.390 18.273 -10.143 1.00 21.90 O HETATM 1078 O HOH 41 26.707 12.535 5.652 1.00 35.01 O HETATM 1079 O HOH 42 26.981 22.075 8.752 1.00 20.86 O HETATM 1080 O HOH 43 11.013 13.765 14.853 1.00 29.87 O HETATM 1081 O HOH 44 23.413 11.584 14.796 1.00 33.17 O HETATM 1082 O HOH 45 16.659 15.413 -13.662 1.00 36.89 O HETATM 1083 O HOH 46 29.518 24.565 3.442 1.00 25.70 O HETATM 1084 O HOH 47 19.415 33.210 4.430 1.00 44.18 O HETATM 1085 O HOH 48 16.324 12.776 -14.135 1.00 47.49 O HETATM 1086 O HOH 49 22.613 4.790 -2.349 1.00 39.04 O HETATM 1087 O HOH 50 7.507 20.362 -8.380 1.00 32.91 O HETATM 1088 O HOH 51 30.883 20.802 -6.026 1.00 38.67 O HETATM 1089 O HOH 52 20.201 1.186 -0.277 1.00 51.38 O HETATM 1090 O HOH 53 15.413 22.827 23.090 1.00 55.84 O HETATM 1091 O HOH 54 7.511 12.065 17.376 1.00 60.58 O HETATM 1092 O HOH 55 5.967 17.508 -2.554 1.00 37.47 O HETATM 1093 O HOH 56 14.244 16.321 -14.053 1.00 46.09 O HETATM 1094 O HOH 57 14.683 9.655 20.576 1.00 59.58 O HETATM 1095 O HOH 58 12.579 6.419 6.239 1.00 49.76 O HETATM 1096 O HOH 59 30.428 19.083 -8.379 1.00 34.21 O HETATM 1097 O HOH 60 14.201 29.979 12.579 1.00 43.34 O HETATM 1098 O HOH 61 30.711 18.683 8.760 1.00 44.94 O HETATM 1099 O HOH 62 10.120 11.911 -10.355 1.00 28.90 O HETATM 1100 O HOH 63 30.870 11.537 3.662 1.00 47.21 O HETATM 1101 O HOH 64 13.312 28.691 10.392 1.00 40.97 O HETATM 1102 O HOH 65 -0.042 18.818 -6.581 1.00 40.77 O HETATM 1103 O HOH 66 15.542 6.966 -5.376 1.00 44.65 O HETATM 1104 O HOH 67 11.479 10.934 16.908 1.00 54.88 O HETATM 1105 O HOH 68 22.843 32.358 -6.795 1.00 63.57 O HETATM 1106 O HOH 69 29.170 28.086 9.294 1.00 36.05 O HETATM 1107 O HOH 70 4.729 13.034 17.405 1.00 61.55 O HETATM 1108 O HOH 71 12.888 1.245 5.348 1.00 60.09 O HETATM 1109 O HOH 72 22.911 24.825 -10.885 1.00 39.34 O HETATM 1110 O HOH 73 9.527 13.258 30.731 1.00 56.91 O HETATM 1111 O HOH 74 6.600 9.514 4.041 1.00 42.35 O HETATM 1112 O HOH 75 30.785 26.496 7.719 1.00 45.84 O HETATM 1113 O HOH 76 28.668 26.650 -0.390 1.00 45.98 O HETATM 1114 O HOH 77 22.507 16.816 -19.868 1.00 49.10 O HETATM 1115 C4 JO A 2 22.961 17.482 -6.535 1.00 0.08 C HETATM 1116 C3 JO A 2 22.519 16.284 -7.323 1.00 0.21 C HETATM 1117 N1 JO A 2 23.573 15.844 -8.091 1.00 -0.20 N HETATM 1118 C2 JO A 2 24.737 16.518 -7.842 1.00 0.23 C HETATM 1119 C1 JO A 2 24.485 17.497 -6.716 1.00 0.15 C HETATM 1120 N2 JO A 2 24.991 18.809 -7.048 1.00 -0.26 N HETATM 1121 C7 JO A 2 26.235 19.161 -6.678 1.00 0.21 C HETATM 1122 C6 JO A 2 26.844 20.382 -7.305 1.00 0.08 C HETATM 1123 C5 JO A 2 27.464 21.355 -6.514 1.00 0.10 C HETATM 1124 C8 JO A 2 28.074 22.453 -7.115 1.00 -0.03 C HETATM 1125 C9 JO A 2 28.123 22.589 -8.485 1.00 -0.02 C HETATM 1126 C10 JO A 2 27.530 21.594 -9.268 1.00 0.15 C HETATM 1127 C11 JO A 2 26.911 20.481 -8.696 1.00 -0.00 C HETATM 1128 H3 JO A 2 26.488 19.704 -9.323 1.00 0.07 H HETATM 1129 N3 JO A 2 27.559 21.724 -10.721 1.00 0.05 N HETATM 1130 O4 JO A 2 28.333 22.536 -11.216 1.00 -0.15 O HETATM 1131 O5 JO A 2 26.827 21.016 -11.385 1.00 -0.15 O HETATM 1132 H5 JO A 2 28.608 23.444 -8.943 1.00 0.07 H HETATM 1133 H4 JO A 2 28.521 23.218 -6.490 1.00 0.07 H HETATM 1134 C12 JO A 2 27.437 21.285 -5.018 1.00 0.38 C HETATM 1135 O6 JO A 2 26.324 21.115 -4.487 1.00 -0.25 O HETATM 1136 O7 JO A 2 28.520 21.386 -4.410 1.00 -0.25 O HETATM 1137 O3 JO A 2 26.861 18.502 -5.842 1.00 -0.38 O HETATM 1138 H7 JO A 2 24.417 19.454 -7.552 1.00 0.19 H HETATM 1139 H8 JO A 2 24.976 17.153 -5.794 1.00 0.08 H HETATM 1140 O2 JO A 2 25.777 16.374 -8.470 1.00 -0.38 O HETATM 1141 H6 JO A 2 23.496 15.107 -8.762 1.00 0.23 H HETATM 1142 O1 JO A 2 21.439 15.732 -7.286 1.00 -0.39 O HETATM 1143 H1 JO A 2 22.694 17.373 -5.474 1.00 0.06 H HETATM 1144 H2 JO A 2 22.510 18.402 -6.935 1.00 0.06 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 95 94 1038 CONECT 131 130 1038 CONECT 735 734 1038 CONECT 759 758 1038 CONECT 1038 95 131 735 759 CONECT 1115 1116 1119 1143 1144 CONECT 1116 1115 1117 1142 CONECT 1117 1116 1118 1141 CONECT 1118 1117 1119 1140 CONECT 1119 1115 1118 1120 1139 CONECT 1120 1119 1121 1138 CONECT 1121 1120 1122 1137 CONECT 1122 1121 1123 1127 CONECT 1123 1122 1124 1134 CONECT 1124 1123 1125 1133 CONECT 1125 1124 1126 1132 CONECT 1126 1125 1127 1129 CONECT 1127 1122 1126 1128 CONECT 1128 1127 CONECT 1129 1126 1130 1131 CONECT 1130 1129 CONECT 1131 1129 CONECT 1132 1125 CONECT 1133 1124 CONECT 1134 1123 1135 1136 CONECT 1135 1134 CONECT 1136 1134 CONECT 1137 1121 CONECT 1138 1120 CONECT 1139 1119 CONECT 1140 1118 CONECT 1141 1117 CONECT 1142 1116 CONECT 1143 1115 CONECT 1144 1115 MASTER 0 0 0 0 0 0 0 0 1143 1 39 9 END
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Related entries of code: 6r0v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
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%
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
6r0v
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
JO2
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=11uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
1
2
H
9
N
3
O
7
Molecular Weight
307.216
Exact Mass
307.044
No. of atoms
31
No. of bonds
32
Polar Surface Area
158.39
LOGP Value
0.51 (
Computed with XLOGP3
)
0.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 2
Canonical SMILES
O=C1NC(=O)[C@H](C1)NC(=O)c1cc(ccc1C(=O)O)N(=O)=O
InChI String
InChI=1S/C12H9N3O7/c16-9-4-8(11(18)14-9)13-10(17)7-3-5(15(21)22)1-2-6(7)12(19)20/h1-3,8H,4H2,(H,13,17)(H,19,20)(H,14,16,18)/t8-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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