Browse entries in the PDBbind-CN Database
HEADER 4XHV_COMPLEX COMPND 4XHV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 GLY ALA MET ALA HIS VAL PHE PRO VAL GLU LEU MET LYS SEQRES 2 A 94 GLY PRO GLU GLY LEU GLY LEU SER ILE ILE GLY MET GLY SEQRES 3 A 94 VAL GLY ALA ASP ALA GLY LEU GLU LYS LEU GLY ILE PHE SEQRES 4 A 94 VAL LYS THR ILE THR ASP ASN GLY ALA ALA ALA ARG ASP SEQRES 5 A 94 GLY ARG ILE GLN VAL ASN ASP GLN ILE ILE GLU VAL ASP SEQRES 6 A 94 GLY LYS SER LEU VAL GLY VAL THR GLN ALA TYR ALA ALA SEQRES 7 A 94 SER VAL LEU ARG ASN THR SER GLY LEU VAL LYS PHE GLN SEQRES 8 A 94 ILE GLY ARG HET ZN A 1 1 HET ASP A 272 174 ATOM 1 N GLY A1254 2.966 -0.754 -17.217 1.00 16.56 N ATOM 2 CA GLY A1254 4.315 -0.558 -17.816 1.00 18.00 C ATOM 3 C GLY A1254 5.357 -0.421 -16.723 1.00 16.81 C ATOM 4 O GLY A1254 5.001 -0.249 -15.570 1.00 15.28 O ATOM 5 HN3 GLY A1254 2.730 0.065 -16.621 1.00 0.00 H ATOM 6 HN2 GLY A1254 2.968 -1.617 -16.637 1.00 0.00 H ATOM 7 HN1 GLY A1254 2.261 -0.846 -17.976 1.00 0.00 H ATOM 8 N ALA A1255 6.643 -0.456 -17.099 1.00 17.18 N ATOM 9 CA ALA A1255 7.735 -0.368 -16.111 1.00 17.49 C ATOM 10 C ALA A1255 7.905 1.022 -15.515 1.00 16.13 C ATOM 11 O ALA A1255 8.474 1.154 -14.407 1.00 16.99 O ATOM 12 CB ALA A1255 9.022 -0.778 -16.739 1.00 18.63 C ATOM 13 H ALA A1255 6.876 -0.547 -18.108 1.00 0.00 H ATOM 14 N MET A1256 7.381 2.075 -16.194 1.00 15.95 N ATOM 15 CA MET A1256 7.565 3.447 -15.738 1.00 14.33 C ATOM 16 C MET A1256 6.321 3.942 -14.986 1.00 13.00 C ATOM 17 O MET A1256 5.175 3.586 -15.267 1.00 13.09 O ATOM 18 CB MET A1256 7.931 4.351 -16.903 1.00 14.77 C ATOM 19 CG MET A1256 9.300 4.067 -17.474 1.00 15.46 C ATOM 20 SD MET A1256 10.736 4.664 -16.533 1.00 16.03 S ATOM 21 CE MET A1256 10.820 6.410 -16.870 1.00 16.00 C ATOM 22 H MET A1256 6.835 1.898 -17.061 1.00 0.00 H ATOM 23 N ALA A1257 6.589 4.793 -14.027 1.00 12.18 N ATOM 24 CA ALA A1257 5.520 5.463 -13.313 1.00 11.04 C ATOM 25 C ALA A1257 4.572 6.176 -14.260 1.00 9.93 C ATOM 26 O ALA A1257 5.004 6.720 -15.279 1.00 11.53 O ATOM 27 CB ALA A1257 6.117 6.499 -12.344 1.00 11.48 C ATOM 28 H ALA A1257 7.579 4.990 -13.775 1.00 0.00 H ATOM 29 N HIS A1258 3.289 6.244 -13.876 1.00 9.69 N ATOM 30 CA HIS A1258 2.295 7.006 -14.600 1.00 9.18 C ATOM 31 C HIS A1258 1.957 8.224 -13.753 1.00 9.55 C ATOM 32 O HIS A1258 1.339 8.078 -12.699 1.00 11.59 O ATOM 33 CB HIS A1258 1.057 6.118 -14.833 1.00 11.31 C ATOM 34 CG HIS A1258 -0.037 6.746 -15.606 1.00 14.19 C ATOM 35 ND1 HIS A1258 0.126 7.647 -16.628 1.00 17.00 N ATOM 36 CD2 HIS A1258 -1.361 6.509 -15.519 1.00 16.80 C ATOM 37 CE1 HIS A1258 -1.063 7.974 -17.113 1.00 17.38 C ATOM 38 NE2 HIS A1258 -1.981 7.318 -16.435 1.00 18.59 N ATOM 39 H HIS A1258 2.996 5.727 -13.022 1.00 0.00 H ATOM 40 N VAL A1259 2.349 9.404 -14.221 1.00 8.41 N ATOM 41 CA VAL A1259 2.039 10.656 -13.544 1.00 7.72 C ATOM 42 C VAL A1259 1.228 11.486 -14.513 1.00 7.60 C ATOM 43 O VAL A1259 1.584 11.604 -15.685 1.00 8.15 O ATOM 44 CB VAL A1259 3.297 11.401 -13.072 1.00 7.89 C ATOM 45 CG1 VAL A1259 2.912 12.738 -12.466 1.00 8.28 C ATOM 46 CG2 VAL A1259 4.085 10.573 -12.087 1.00 8.59 C ATOM 47 H VAL A1259 2.898 9.435 -15.104 1.00 0.00 H ATOM 48 N PHE A1260 0.119 12.043 -14.019 1.00 7.82 N ATOM 49 CA PHE A1260 -0.771 12.796 -14.885 1.00 8.31 C ATOM 50 C PHE A1260 -1.406 13.954 -14.108 1.00 7.32 C ATOM 51 O PHE A1260 -1.622 13.851 -12.899 1.00 8.11 O ATOM 52 CB PHE A1260 -1.884 11.868 -15.508 1.00 9.67 C ATOM 53 CG PHE A1260 -2.665 11.127 -14.473 1.00 11.13 C ATOM 54 CD1 PHE A1260 -2.196 9.923 -13.904 1.00 12.83 C ATOM 55 CD2 PHE A1260 -3.890 11.577 -14.062 1.00 12.23 C ATOM 56 CE1 PHE A1260 -2.974 9.231 -12.956 1.00 14.62 C ATOM 57 CE2 PHE A1260 -4.620 10.884 -13.112 1.00 13.64 C ATOM 58 CZ PHE A1260 -4.165 9.730 -12.568 1.00 14.80 C ATOM 59 H PHE A1260 -0.108 11.937 -13.010 1.00 0.00 H ATOM 60 N PRO A1261 -1.773 15.023 -14.834 1.00 7.48 N ATOM 61 CA PRO A1261 -2.424 16.153 -14.190 1.00 8.09 C ATOM 62 C PRO A1261 -3.931 15.926 -14.085 1.00 8.06 C ATOM 63 O PRO A1261 -4.537 15.347 -14.978 1.00 9.38 O ATOM 64 CB PRO A1261 -2.089 17.313 -15.131 1.00 8.52 C ATOM 65 CG PRO A1261 -2.062 16.628 -16.490 1.00 8.46 C ATOM 66 CD PRO A1261 -1.414 15.325 -16.230 1.00 8.09 C ATOM 67 N VAL A1262 -4.545 16.443 -13.012 1.00 8.13 N ATOM 68 CA VAL A1262 -5.990 16.466 -12.846 1.00 8.98 C ATOM 69 C VAL A1262 -6.359 17.849 -12.367 1.00 9.47 C ATOM 70 O VAL A1262 -5.754 18.341 -11.451 1.00 11.52 O ATOM 71 CB VAL A1262 -6.462 15.396 -11.821 1.00 9.56 C ATOM 72 CG1 VAL A1262 -7.942 15.578 -11.509 1.00 10.39 C ATOM 73 CG2 VAL A1262 -6.151 14.012 -12.330 1.00 10.44 C ATOM 74 H VAL A1262 -3.957 16.850 -12.257 1.00 0.00 H ATOM 75 N GLU A1263 -7.343 18.471 -13.003 1.00 10.49 N ATOM 76 CA GLU A1263 -7.913 19.731 -12.546 1.00 11.65 C ATOM 77 C GLU A1263 -9.383 19.463 -12.329 1.00 12.41 C ATOM 78 O GLU A1263 -10.053 18.877 -13.204 1.00 14.03 O ATOM 79 CB GLU A1263 -7.758 20.844 -13.577 1.00 13.74 C ATOM 80 CG GLU A1263 -6.330 21.140 -13.934 1.00 16.16 C ATOM 81 CD GLU A1263 -6.195 22.427 -14.754 1.00 19.05 C ATOM 82 OE1 GLU A1263 -7.221 23.088 -15.092 1.00 21.57 O ATOM 83 OE2 GLU A1263 -5.031 22.748 -15.088 1.00 21.14 O ATOM 84 H GLU A1263 -7.725 18.039 -13.868 1.00 0.00 H ATOM 85 N LEU A1264 -9.900 19.903 -11.193 1.00 12.46 N ATOM 86 CA LEU A1264 -11.314 19.811 -10.948 1.00 13.45 C ATOM 87 C LEU A1264 -11.754 20.954 -9.995 1.00 12.50 C ATOM 88 O LEU A1264 -10.959 21.644 -9.400 1.00 13.04 O ATOM 89 CB LEU A1264 -11.642 18.432 -10.433 1.00 14.92 C ATOM 90 CG LEU A1264 -10.882 17.962 -9.151 1.00 15.18 C ATOM 91 CD1 LEU A1264 -11.330 18.693 -7.956 1.00 15.27 C ATOM 92 CD2 LEU A1264 -11.107 16.506 -9.072 1.00 15.83 C ATOM 93 H LEU A1264 -9.278 20.319 -10.471 1.00 0.00 H ATOM 94 N MET A1265 -13.036 21.155 -9.913 1.00 12.04 N ATOM 95 CA MET A1265 -13.626 22.200 -9.093 1.00 11.75 C ATOM 96 C MET A1265 -13.979 21.659 -7.737 1.00 12.58 C ATOM 97 O MET A1265 -14.661 20.617 -7.610 1.00 12.74 O ATOM 98 CB MET A1265 -14.873 22.824 -9.719 1.00 12.36 C ATOM 99 CG MET A1265 -14.604 23.512 -11.079 1.00 12.83 C ATOM 100 SD MET A1265 -13.465 24.905 -11.001 1.00 13.06 S ATOM 101 CE MET A1265 -14.461 26.135 -10.180 1.00 14.09 C ATOM 102 H MET A1265 -13.670 20.538 -10.460 1.00 0.00 H ATOM 103 N LYS A1266 -13.518 22.337 -6.675 1.00 12.26 N ATOM 104 CA LYS A1266 -13.850 21.867 -5.325 1.00 13.27 C ATOM 105 C LYS A1266 -15.340 21.949 -5.071 1.00 14.10 C ATOM 106 O LYS A1266 -15.997 22.879 -5.547 1.00 14.88 O ATOM 107 CB LYS A1266 -13.071 22.716 -4.323 1.00 13.59 C ATOM 108 CG LYS A1266 -13.105 22.165 -2.926 1.00 14.18 C ATOM 109 CD LYS A1266 -12.248 22.955 -2.000 1.00 15.11 C ATOM 110 CE LYS A1266 -11.996 22.196 -0.740 1.00 16.59 C ATOM 111 NZ LYS A1266 -11.212 22.995 0.218 1.00 17.58 N ATOM 112 HZ1 LYS A1266 -10.296 23.244 -0.208 1.00 0.00 H ATOM 113 HZ2 LYS A1266 -11.734 23.863 0.453 1.00 0.00 H ATOM 114 HZ3 LYS A1266 -11.054 22.440 1.083 1.00 0.00 H ATOM 115 H LYS A1266 -12.932 23.186 -6.807 1.00 0.00 H ATOM 116 N GLY A1267 -15.875 20.975 -4.330 1.00 14.65 N ATOM 117 CA GLY A1267 -17.272 20.958 -3.973 1.00 16.22 C ATOM 118 C GLY A1267 -17.556 21.664 -2.679 1.00 17.55 C ATOM 119 O GLY A1267 -16.642 22.007 -1.927 1.00 18.29 O ATOM 120 H GLY A1267 -15.263 20.202 -3.999 1.00 0.00 H ATOM 121 N PRO A1268 -18.847 21.834 -2.353 1.00 19.66 N ATOM 122 CA PRO A1268 -19.201 22.492 -1.089 1.00 21.70 C ATOM 123 C PRO A1268 -18.799 21.684 0.149 1.00 22.83 C ATOM 124 O PRO A1268 -18.707 22.249 1.243 1.00 24.86 O ATOM 125 CB PRO A1268 -20.735 22.636 -1.172 1.00 22.12 C ATOM 126 CG PRO A1268 -21.166 21.663 -2.172 1.00 22.18 C ATOM 127 CD PRO A1268 -20.037 21.562 -3.177 1.00 21.05 C ATOM 128 N GLU A1269 -18.663 20.373 0.009 1.00 21.74 N ATOM 129 CA GLU A1269 -18.281 19.527 1.123 1.00 22.22 C ATOM 130 C GLU A1269 -16.802 19.128 1.043 1.00 19.70 C ATOM 131 O GLU A1269 -16.383 18.218 1.781 1.00 20.94 O ATOM 132 CB GLU A1269 -19.187 18.292 1.158 1.00 25.23 C ATOM 133 CG GLU A1269 -20.701 18.642 1.410 1.00 27.88 C ATOM 134 CD GLU A1269 -20.939 19.611 2.591 1.00 30.97 C ATOM 135 OE1 GLU A1269 -20.385 19.351 3.693 1.00 31.29 O ATOM 136 OE2 GLU A1269 -21.699 20.617 2.429 1.00 32.86 O ATOM 137 H GLU A1269 -18.834 19.941 -0.921 1.00 0.00 H ATOM 138 N GLY A1270 -16.014 19.791 0.179 1.00 16.48 N ATOM 139 CA GLY A1270 -14.604 19.517 0.112 1.00 14.03 C ATOM 140 C GLY A1270 -14.230 18.902 -1.229 1.00 11.58 C ATOM 141 O GLY A1270 -14.991 18.930 -2.206 1.00 12.44 O ATOM 142 H GLY A1270 -16.429 20.510 -0.448 1.00 0.00 H ATOM 143 N LEU A1271 -13.025 18.325 -1.287 1.00 10.17 N ATOM 144 CA LEU A1271 -12.569 17.623 -2.488 1.00 10.60 C ATOM 145 C LEU A1271 -13.274 16.263 -2.627 1.00 10.65 C ATOM 146 O LEU A1271 -13.382 15.684 -3.739 1.00 12.23 O ATOM 147 CB LEU A1271 -11.071 17.412 -2.493 1.00 10.36 C ATOM 148 CG LEU A1271 -10.276 18.718 -2.530 1.00 12.20 C ATOM 149 CD1 LEU A1271 -8.849 18.390 -2.230 1.00 12.48 C ATOM 150 CD2 LEU A1271 -10.388 19.457 -3.842 1.00 14.00 C ATOM 151 H LEU A1271 -12.397 18.376 -0.460 1.00 0.00 H ATOM 152 N GLY A1272 -13.688 15.698 -1.482 1.00 11.55 N ATOM 153 CA GLY A1272 -14.276 14.377 -1.479 1.00 11.23 C ATOM 154 C GLY A1272 -13.322 13.189 -1.535 1.00 11.36 C ATOM 155 O GLY A1272 -13.529 12.232 -2.303 1.00 11.69 O ATOM 156 H GLY A1272 -13.585 16.216 -0.586 1.00 0.00 H ATOM 157 N LEU A1273 -12.274 13.230 -0.738 1.00 11.02 N ATOM 158 CA LEU A1273 -11.400 12.064 -0.657 1.00 11.14 C ATOM 159 C LEU A1273 -10.753 12.081 0.697 1.00 9.95 C ATOM 160 O LEU A1273 -10.861 13.075 1.431 1.00 9.69 O ATOM 161 CB LEU A1273 -10.413 11.977 -1.812 1.00 13.40 C ATOM 162 CG LEU A1273 -9.483 13.151 -1.935 1.00 13.17 C ATOM 163 CD1 LEU A1273 -8.227 13.015 -1.119 1.00 13.40 C ATOM 164 CD2 LEU A1273 -9.035 13.403 -3.375 1.00 14.32 C ATOM 165 H LEU A1273 -12.072 14.081 -0.175 1.00 0.00 H ATOM 166 N SER A1274 -10.146 10.968 1.062 1.00 9.19 N ATOM 167 CA SER A1274 -9.308 10.939 2.269 1.00 8.28 C ATOM 168 C SER A1274 -7.892 10.486 1.914 1.00 8.19 C ATOM 169 O SER A1274 -7.677 9.754 0.924 1.00 9.00 O ATOM 170 CB SER A1274 -9.880 10.030 3.334 1.00 9.36 C ATOM 171 OG SER A1274 -9.748 8.667 3.007 1.00 10.75 O ATOM 172 HG SER A1274 -10.227 8.484 2.160 1.00 0.00 H ATOM 173 H SER A1274 -10.261 10.106 0.492 1.00 0.00 H ATOM 174 N ILE A1275 -6.925 10.917 2.740 1.00 8.08 N ATOM 175 CA ILE A1275 -5.509 10.669 2.495 1.00 7.64 C ATOM 176 C ILE A1275 -4.865 9.951 3.663 1.00 7.38 C ATOM 177 O ILE A1275 -5.209 10.155 4.833 1.00 8.41 O ATOM 178 CB ILE A1275 -4.701 11.983 2.198 1.00 8.63 C ATOM 179 CG1 ILE A1275 -4.789 13.019 3.312 1.00 10.08 C ATOM 180 CG2 ILE A1275 -5.204 12.577 0.866 1.00 10.28 C ATOM 181 CD1 ILE A1275 -3.678 14.000 3.387 1.00 11.58 C ATOM 182 H ILE A1275 -7.197 11.450 3.590 1.00 0.00 H ATOM 183 N ILE A1276 -3.854 9.171 3.316 1.00 7.40 N ATOM 184 CA ILE A1276 -2.967 8.530 4.245 1.00 7.85 C ATOM 185 C ILE A1276 -1.533 8.779 3.793 1.00 8.00 C ATOM 186 O ILE A1276 -1.270 8.869 2.604 1.00 9.59 O ATOM 187 CB ILE A1276 -3.346 7.011 4.332 1.00 10.73 C ATOM 188 CG1 ILE A1276 -2.781 6.338 5.569 1.00 13.27 C ATOM 189 CG2 ILE A1276 -2.949 6.175 3.092 1.00 10.69 C ATOM 190 CD1 ILE A1276 -3.428 6.740 6.825 1.00 14.67 C ATOM 191 H ILE A1276 -3.691 9.012 2.301 1.00 0.00 H ATOM 192 N GLY A1277 -0.582 8.806 4.723 1.00 8.39 N ATOM 193 CA GLY A1277 0.830 8.803 4.389 1.00 8.14 C ATOM 194 C GLY A1277 1.367 7.410 4.204 1.00 8.90 C ATOM 195 O GLY A1277 0.908 6.469 4.854 1.00 11.57 O ATOM 196 H GLY A1277 -0.860 8.830 5.725 1.00 0.00 H ATOM 197 N MET A1278 2.411 7.274 3.396 1.00 8.13 N ATOM 198 CA MET A1278 3.133 6.047 3.227 1.00 9.38 C ATOM 199 C MET A1278 4.628 6.318 3.196 1.00 8.21 C ATOM 200 O MET A1278 5.085 7.113 2.363 1.00 8.82 O ATOM 201 CB MET A1278 2.675 5.484 1.906 1.00 12.10 C ATOM 202 CG MET A1278 3.305 4.265 1.522 1.00 15.36 C ATOM 203 SD MET A1278 2.789 2.860 2.448 1.00 18.82 S ATOM 204 CE MET A1278 1.058 2.558 2.044 1.00 18.71 C ATOM 205 H MET A1278 2.723 8.105 2.854 1.00 0.00 H ATOM 206 N GLY A1279 5.356 5.668 4.090 1.00 7.71 N ATOM 207 CA GLY A1279 6.794 5.793 4.200 1.00 7.61 C ATOM 208 C GLY A1279 7.202 6.807 5.236 1.00 7.80 C ATOM 209 O GLY A1279 6.621 7.884 5.316 1.00 8.04 O ATOM 210 H GLY A1279 4.867 5.031 4.751 1.00 0.00 H ATOM 211 N VAL A1280 8.221 6.425 6.029 1.00 7.26 N ATOM 212 CA VAL A1280 8.777 7.286 7.061 1.00 7.86 C ATOM 213 C VAL A1280 10.311 7.227 6.993 1.00 6.99 C ATOM 214 O VAL A1280 10.892 6.399 6.297 1.00 7.31 O ATOM 215 CB VAL A1280 8.288 6.867 8.461 1.00 7.98 C ATOM 216 CG1 VAL A1280 6.787 6.894 8.531 1.00 9.78 C ATOM 217 CG2 VAL A1280 8.867 5.528 8.872 1.00 8.36 C ATOM 218 H VAL A1280 8.627 5.476 5.898 1.00 0.00 H ATOM 219 N GLY A1281 10.946 8.142 7.727 1.00 7.02 N ATOM 220 CA GLY A1281 12.376 8.087 7.947 1.00 7.09 C ATOM 221 C GLY A1281 12.721 7.324 9.227 1.00 6.88 C ATOM 222 O GLY A1281 11.854 7.097 10.080 1.00 7.20 O ATOM 223 H GLY A1281 10.399 8.917 8.153 1.00 0.00 H ATOM 224 N ALA A1282 13.995 7.004 9.360 1.00 6.79 N ATOM 225 CA ALA A1282 14.395 6.127 10.489 1.00 7.70 C ATOM 226 C ALA A1282 14.239 6.846 11.830 1.00 8.05 C ATOM 227 O ALA A1282 14.131 6.190 12.870 1.00 8.22 O ATOM 228 CB ALA A1282 15.834 5.700 10.314 1.00 9.87 C ATOM 229 H ALA A1282 14.704 7.359 8.687 1.00 0.00 H ATOM 230 N ASP A1283 14.220 8.190 11.799 1.00 7.46 N ATOM 231 CA ASP A1283 13.961 8.974 12.997 1.00 7.71 C ATOM 232 C ASP A1283 12.551 8.750 13.566 1.00 7.31 C ATOM 233 O ASP A1283 12.304 9.029 14.746 1.00 7.99 O ATOM 234 CB ASP A1283 14.146 10.450 12.663 1.00 8.78 C ATOM 235 CG ASP A1283 13.241 10.901 11.499 1.00 8.44 C ATOM 236 OD1 ASP A1283 13.661 10.607 10.329 1.00 9.74 O ATOM 237 OD2 ASP A1283 12.162 11.447 11.724 1.00 8.89 O ATOM 238 H ASP A1283 14.394 8.680 10.899 1.00 0.00 H ATOM 239 N ALA A1284 11.631 8.275 12.739 1.00 6.81 N ATOM 240 CA ALA A1284 10.283 7.985 13.161 1.00 7.18 C ATOM 241 C ALA A1284 9.430 9.197 13.529 1.00 7.13 C ATOM 242 O ALA A1284 8.419 9.030 14.224 1.00 8.37 O ATOM 243 CB ALA A1284 10.255 6.904 14.275 1.00 8.67 C ATOM 244 H ALA A1284 11.891 8.105 11.747 1.00 0.00 H ATOM 245 N GLY A1285 9.796 10.352 13.041 1.00 7.67 N ATOM 246 CA GLY A1285 8.938 11.508 13.188 1.00 8.02 C ATOM 247 C GLY A1285 7.785 11.473 12.235 1.00 7.23 C ATOM 248 O GLY A1285 7.606 10.512 11.461 1.00 7.90 O ATOM 249 H GLY A1285 10.706 10.441 12.546 1.00 0.00 H ATOM 250 N LEU A1286 6.972 12.515 12.253 1.00 7.93 N ATOM 251 CA LEU A1286 5.668 12.542 11.570 1.00 8.37 C ATOM 252 C LEU A1286 5.760 12.782 10.064 1.00 7.64 C ATOM 253 O LEU A1286 4.759 12.641 9.385 1.00 8.35 O ATOM 254 CB LEU A1286 4.799 13.631 12.209 1.00 10.38 C ATOM 255 CG LEU A1286 4.162 13.222 13.571 1.00 12.62 C ATOM 256 CD1 LEU A1286 3.541 14.417 14.264 1.00 15.46 C ATOM 257 CD2 LEU A1286 3.114 12.095 13.381 1.00 14.74 C ATOM 258 H LEU A1286 7.270 13.362 12.778 1.00 0.00 H ATOM 259 N GLU A1287 6.915 13.104 9.503 1.00 7.62 N ATOM 260 CA GLU A1287 6.963 13.335 8.071 1.00 8.41 C ATOM 261 C GLU A1287 6.715 12.052 7.320 1.00 7.76 C ATOM 262 O GLU A1287 7.278 10.994 7.633 1.00 9.91 O ATOM 263 CB GLU A1287 8.274 13.992 7.673 1.00 10.82 C ATOM 264 CG GLU A1287 8.335 15.448 8.077 1.00 13.46 C ATOM 265 CD GLU A1287 9.443 16.227 7.376 1.00 15.85 C ATOM 266 OE1 GLU A1287 10.143 15.627 6.593 1.00 15.37 O ATOM 267 OE2 GLU A1287 9.554 17.445 7.580 1.00 17.94 O ATOM 268 H GLU A1287 7.776 13.190 10.080 1.00 0.00 H ATOM 269 N LYS A1288 5.841 12.137 6.306 1.00 7.50 N ATOM 270 CA LYS A1288 5.535 10.984 5.434 1.00 7.77 C ATOM 271 C LYS A1288 6.196 11.169 4.074 1.00 7.56 C ATOM 272 O LYS A1288 6.284 12.284 3.555 1.00 8.75 O ATOM 273 CB LYS A1288 4.012 10.849 5.277 1.00 7.81 C ATOM 274 CG LYS A1288 3.294 10.712 6.585 1.00 8.07 C ATOM 275 CD LYS A1288 3.732 9.513 7.379 1.00 10.32 C ATOM 276 CE LYS A1288 2.866 9.181 8.550 1.00 11.32 C ATOM 277 NZ LYS A1288 3.378 7.917 9.198 1.00 12.11 N ATOM 278 HZ1 LYS A1288 3.349 7.139 8.508 1.00 0.00 H ATOM 279 HZ2 LYS A1288 4.357 8.064 9.516 1.00 0.00 H ATOM 280 HZ3 LYS A1288 2.779 7.680 10.015 1.00 0.00 H ATOM 281 H LYS A1288 5.363 13.044 6.128 1.00 0.00 H ATOM 282 N LEU A1289 6.677 10.088 3.511 1.00 7.39 N ATOM 283 CA LEU A1289 7.390 10.201 2.235 1.00 7.22 C ATOM 284 C LEU A1289 6.428 10.571 1.103 1.00 7.99 C ATOM 285 O LEU A1289 6.704 11.493 0.317 1.00 8.68 O ATOM 286 CB LEU A1289 8.163 8.954 1.967 1.00 8.31 C ATOM 287 CG LEU A1289 9.275 8.631 2.989 1.00 9.92 C ATOM 288 CD1 LEU A1289 9.947 7.325 2.653 1.00 10.06 C ATOM 289 CD2 LEU A1289 10.271 9.737 3.223 1.00 12.66 C ATOM 290 H LEU A1289 6.554 9.160 3.964 1.00 0.00 H ATOM 291 N GLY A1290 5.291 9.880 1.020 1.00 7.71 N ATOM 292 CA GLY A1290 4.258 10.169 0.052 1.00 7.95 C ATOM 293 C GLY A1290 2.883 10.165 0.658 1.00 7.21 C ATOM 294 O GLY A1290 2.672 9.611 1.733 1.00 8.23 O ATOM 295 H GLY A1290 5.140 9.094 1.685 1.00 0.00 H ATOM 296 N ILE A1291 1.942 10.783 -0.055 1.00 6.30 N ATOM 297 CA ILE A1291 0.563 10.942 0.366 1.00 6.36 C ATOM 298 C ILE A1291 -0.339 10.230 -0.678 1.00 6.41 C ATOM 299 O ILE A1291 -0.201 10.494 -1.866 1.00 7.31 O ATOM 300 CB ILE A1291 0.207 12.429 0.467 1.00 7.10 C ATOM 301 CG1 ILE A1291 1.045 13.157 1.526 1.00 7.03 C ATOM 302 CG2 ILE A1291 -1.241 12.603 0.682 1.00 8.80 C ATOM 303 CD1 ILE A1291 0.851 12.699 2.933 1.00 7.81 C ATOM 304 H ILE A1291 2.215 11.179 -0.977 1.00 0.00 H ATOM 305 N PHE A1292 -1.227 9.374 -0.200 1.00 7.10 N ATOM 306 CA PHE A1292 -2.013 8.517 -1.059 1.00 6.79 C ATOM 307 C PHE A1292 -3.483 8.611 -0.705 1.00 7.06 C ATOM 308 O PHE A1292 -3.862 8.913 0.422 1.00 8.19 O ATOM 309 CB PHE A1292 -1.556 7.065 -0.898 1.00 7.71 C ATOM 310 CG PHE A1292 -0.178 6.824 -1.412 1.00 7.89 C ATOM 311 CD1 PHE A1292 0.952 7.192 -0.673 1.00 9.41 C ATOM 312 CD2 PHE A1292 0.032 6.245 -2.671 1.00 9.61 C ATOM 313 CE1 PHE A1292 2.222 6.983 -1.190 1.00 9.92 C ATOM 314 CE2 PHE A1292 1.358 6.084 -3.141 1.00 10.79 C ATOM 315 CZ PHE A1292 2.405 6.469 -2.395 1.00 10.72 C ATOM 316 H PHE A1292 -1.364 9.315 0.829 1.00 0.00 H ATOM 317 N VAL A1293 -4.296 8.336 -1.707 1.00 7.27 N ATOM 318 CA VAL A1293 -5.755 8.332 -1.572 1.00 7.72 C ATOM 319 C VAL A1293 -6.222 7.046 -0.934 1.00 8.25 C ATOM 320 O VAL A1293 -6.013 5.972 -1.496 1.00 9.34 O ATOM 321 CB VAL A1293 -6.429 8.532 -2.938 1.00 8.19 C ATOM 322 CG1 VAL A1293 -7.953 8.464 -2.812 1.00 9.55 C ATOM 323 CG2 VAL A1293 -6.026 9.837 -3.591 1.00 9.16 C ATOM 324 H VAL A1293 -3.883 8.112 -2.635 1.00 0.00 H ATOM 325 N LYS A1294 -6.915 7.133 0.194 1.00 8.69 N ATOM 326 CA LYS A1294 -7.435 5.979 0.876 1.00 9.97 C ATOM 327 C LYS A1294 -8.891 5.685 0.487 1.00 10.05 C ATOM 328 O LYS A1294 -9.249 4.527 0.260 1.00 11.70 O ATOM 329 CB LYS A1294 -7.305 6.181 2.390 1.00 12.23 C ATOM 330 CG LYS A1294 -7.699 4.961 3.240 1.00 14.48 C ATOM 331 CD LYS A1294 -6.826 3.732 2.941 1.00 17.25 C ATOM 332 CE LYS A1294 -7.220 2.485 3.693 1.00 19.39 C ATOM 333 NZ LYS A1294 -6.861 2.637 5.072 1.00 20.97 N ATOM 334 HZ1 LYS A1294 -5.834 2.782 5.148 1.00 0.00 H ATOM 335 HZ2 LYS A1294 -7.359 3.459 5.470 1.00 0.00 H ATOM 336 HZ3 LYS A1294 -7.130 1.780 5.596 1.00 0.00 H ATOM 337 H LYS A1294 -7.089 8.074 0.601 1.00 0.00 H ATOM 338 N THR A1295 -9.733 6.712 0.437 1.00 9.70 N ATOM 339 CA THR A1295 -11.127 6.612 0.056 1.00 11.04 C ATOM 340 C THR A1295 -11.504 7.773 -0.854 1.00 10.74 C ATOM 341 O THR A1295 -10.883 8.848 -0.801 1.00 10.87 O ATOM 342 CB THR A1295 -12.092 6.596 1.270 1.00 12.42 C ATOM 343 OG1 THR A1295 -12.109 7.863 1.900 1.00 13.76 O ATOM 344 CG2 THR A1295 -11.695 5.559 2.299 1.00 13.61 C ATOM 345 HG1 THR A1295 -11.197 8.086 2.214 1.00 0.00 H ATOM 346 H THR A1295 -9.366 7.652 0.689 1.00 0.00 H ATOM 347 N ILE A1296 -12.570 7.548 -1.636 1.00 11.54 N ATOM 348 CA ILE A1296 -13.176 8.585 -2.455 1.00 12.48 C ATOM 349 C ILE A1296 -14.644 8.683 -2.060 1.00 13.84 C ATOM 350 O ILE A1296 -15.335 7.677 -2.025 1.00 15.64 O ATOM 351 CB ILE A1296 -13.016 8.241 -3.978 1.00 13.47 C ATOM 352 CG1 ILE A1296 -11.517 8.252 -4.337 1.00 15.77 C ATOM 353 CG2 ILE A1296 -13.866 9.197 -4.828 1.00 15.70 C ATOM 354 CD1 ILE A1296 -11.165 7.767 -5.656 1.00 16.78 C ATOM 355 H ILE A1296 -12.980 6.592 -1.657 1.00 0.00 H ATOM 356 N THR A1297 -15.139 9.875 -1.791 1.00 14.84 N ATOM 357 CA THR A1297 -16.509 10.038 -1.313 1.00 16.86 C ATOM 358 C THR A1297 -17.513 9.967 -2.474 1.00 18.82 C ATOM 359 O THR A1297 -17.373 10.661 -3.471 1.00 17.93 O ATOM 360 CB THR A1297 -16.646 11.429 -0.697 1.00 18.39 C ATOM 361 OG1 THR A1297 -15.589 11.613 0.265 1.00 18.67 O ATOM 362 CG2 THR A1297 -18.006 11.623 -0.079 1.00 19.11 C ATOM 363 HG1 THR A1297 -15.663 10.923 0.971 1.00 0.00 H ATOM 364 H THR A1297 -14.542 10.716 -1.922 1.00 0.00 H ATOM 365 N ASP A1298 -18.561 9.164 -2.321 1.00 21.26 N ATOM 366 CA ASP A1298 -19.620 9.043 -3.312 1.00 22.95 C ATOM 367 C ASP A1298 -20.188 10.443 -3.628 1.00 22.43 C ATOM 368 O ASP A1298 -20.425 11.240 -2.704 1.00 22.55 O ATOM 369 CB ASP A1298 -20.697 8.116 -2.740 1.00 24.86 C ATOM 370 CG ASP A1298 -20.107 6.850 -2.094 1.00 26.51 C ATOM 371 OD1 ASP A1298 -19.255 6.187 -2.733 1.00 26.84 O ATOM 372 OD2 ASP A1298 -20.491 6.518 -0.953 1.00 27.59 O ATOM 373 H ASP A1298 -18.627 8.596 -1.453 1.00 0.00 H ATOM 374 N ASN A1299 -20.368 10.744 -4.907 1.00 22.96 N ATOM 375 CA ASN A1299 -20.946 12.001 -5.328 1.00 22.84 C ATOM 376 C ASN A1299 -20.133 13.235 -5.055 1.00 21.23 C ATOM 377 O ASN A1299 -20.641 14.329 -5.338 1.00 21.77 O ATOM 378 CB ASN A1299 -22.365 12.177 -4.743 1.00 25.42 C ATOM 379 CG ASN A1299 -23.299 11.135 -5.213 1.00 28.61 C ATOM 380 OD1 ASN A1299 -23.392 10.869 -6.407 1.00 29.39 O ATOM 381 ND2 ASN A1299 -23.991 10.511 -4.276 1.00 30.22 N ATOM 382 HD22 ASN A1299 -23.873 10.778 -3.278 1.00 0.00 H ATOM 383 HD21 ASN A1299 -24.654 9.753 -4.537 1.00 0.00 H ATOM 384 H ASN A1299 -20.084 10.053 -5.631 1.00 0.00 H ATOM 385 N GLY A1300 -18.920 13.072 -4.500 1.00 18.74 N ATOM 386 CA GLY A1300 -18.109 14.245 -4.242 1.00 16.42 C ATOM 387 C GLY A1300 -17.368 14.677 -5.524 1.00 14.94 C ATOM 388 O GLY A1300 -17.493 14.065 -6.601 1.00 15.81 O ATOM 389 H GLY A1300 -18.570 12.122 -4.260 1.00 0.00 H ATOM 390 N ALA A1301 -16.603 15.764 -5.413 1.00 13.46 N ATOM 391 CA ALA A1301 -15.943 16.337 -6.561 1.00 13.44 C ATOM 392 C ALA A1301 -15.002 15.337 -7.203 1.00 12.71 C ATOM 393 O ALA A1301 -15.008 15.187 -8.444 1.00 13.10 O ATOM 394 CB ALA A1301 -15.241 17.632 -6.190 1.00 13.59 C ATOM 395 H ALA A1301 -16.480 16.207 -4.480 1.00 0.00 H ATOM 396 N ALA A1302 -14.170 14.640 -6.433 1.00 11.91 N ATOM 397 CA ALA A1302 -13.226 13.699 -7.028 1.00 11.69 C ATOM 398 C ALA A1302 -13.938 12.521 -7.684 1.00 12.01 C ATOM 399 O ALA A1302 -13.549 12.084 -8.797 1.00 12.20 O ATOM 400 CB ALA A1302 -12.258 13.175 -5.956 1.00 11.63 C ATOM 401 H ALA A1302 -14.193 14.767 -5.401 1.00 0.00 H ATOM 402 N ALA A1303 -15.029 12.060 -7.081 1.00 12.12 N ATOM 403 CA ALA A1303 -15.792 10.959 -7.659 1.00 13.69 C ATOM 404 C ALA A1303 -16.439 11.373 -8.973 1.00 14.41 C ATOM 405 O ALA A1303 -16.372 10.646 -9.968 1.00 15.72 O ATOM 406 CB ALA A1303 -16.886 10.498 -6.745 1.00 14.85 C ATOM 407 H ALA A1303 -15.342 12.489 -6.187 1.00 0.00 H ATOM 408 N ARG A1304 -17.036 12.556 -8.990 1.00 15.49 N ATOM 409 CA ARG A1304 -17.735 13.024 -10.184 1.00 16.00 C ATOM 410 C ARG A1304 -16.760 13.192 -11.346 1.00 16.12 C ATOM 411 O ARG A1304 -17.086 12.892 -12.526 1.00 17.83 O ATOM 412 CB ARG A1304 -18.495 14.320 -9.908 1.00 17.24 C ATOM 413 CG ARG A1304 -19.808 14.096 -9.165 1.00 18.90 C ATOM 414 CD ARG A1304 -20.428 15.401 -8.681 1.00 21.34 C ATOM 415 NE ARG A1304 -21.686 15.153 -7.982 1.00 23.01 N ATOM 416 CZ ARG A1304 -22.886 15.044 -8.559 1.00 24.28 C ATOM 417 NH1 ARG A1304 -23.029 15.122 -9.882 1.00 24.75 N ATOM 418 NH2 ARG A1304 -23.944 14.818 -7.785 1.00 24.86 N ATOM 419 HE ARG A1304 -21.644 15.053 -6.948 1.00 0.00 H ATOM 420 HH12 ARG A1304 -23.973 15.034 -10.309 1.00 0.00 H ATOM 421 HH11 ARG A1304 -22.196 15.271 -10.487 1.00 0.00 H ATOM 422 HH22 ARG A1304 -24.889 14.729 -8.209 1.00 0.00 H ATOM 423 HH21 ARG A1304 -23.826 14.730 -6.755 1.00 0.00 H ATOM 424 H ARG A1304 -17.006 13.159 -8.143 1.00 0.00 H ATOM 425 N ASP A1305 -15.559 13.672 -11.042 1.00 13.69 N ATOM 426 CA ASP A1305 -14.543 13.822 -12.077 1.00 13.32 C ATOM 427 C ASP A1305 -14.120 12.449 -12.617 1.00 14.10 C ATOM 428 O ASP A1305 -13.889 12.301 -13.827 1.00 15.06 O ATOM 429 CB ASP A1305 -13.348 14.621 -11.520 1.00 13.75 C ATOM 430 CG ASP A1305 -12.194 14.652 -12.466 1.00 14.77 C ATOM 431 OD1 ASP A1305 -11.340 13.726 -12.412 1.00 14.28 O ATOM 432 OD2 ASP A1305 -12.157 15.617 -13.259 1.00 16.18 O ATOM 433 H ASP A1305 -15.343 13.942 -10.061 1.00 0.00 H ATOM 434 N GLY A1306 -13.995 11.464 -11.718 1.00 13.20 N ATOM 435 CA GLY A1306 -13.791 10.087 -12.114 1.00 14.17 C ATOM 436 C GLY A1306 -12.380 9.608 -12.313 1.00 13.34 C ATOM 437 O GLY A1306 -12.159 8.413 -12.417 1.00 14.70 O ATOM 438 H GLY A1306 -14.046 11.696 -10.705 1.00 0.00 H ATOM 439 N ARG A1307 -11.409 10.505 -12.408 1.00 12.22 N ATOM 440 CA ARG A1307 -10.045 10.114 -12.722 1.00 12.44 C ATOM 441 C ARG A1307 -9.232 9.576 -11.555 1.00 12.22 C ATOM 442 O ARG A1307 -8.567 8.544 -11.664 1.00 14.12 O ATOM 443 CB ARG A1307 -9.318 11.283 -13.387 1.00 13.34 C ATOM 444 CG ARG A1307 -9.933 11.632 -14.751 1.00 15.00 C ATOM 445 CD ARG A1307 -9.241 12.786 -15.414 1.00 14.69 C ATOM 446 NE ARG A1307 -9.652 14.041 -14.801 1.00 14.39 N ATOM 447 CZ ARG A1307 -9.254 15.242 -15.197 1.00 14.39 C ATOM 448 NH1 ARG A1307 -8.404 15.347 -16.210 1.00 15.49 N ATOM 449 NH2 ARG A1307 -9.765 16.332 -14.640 1.00 16.13 N ATOM 450 HE ARG A1307 -10.306 13.992 -13.993 1.00 0.00 H ATOM 451 HH12 ARG A1307 -8.086 16.285 -16.527 1.00 0.00 H ATOM 452 HH11 ARG A1307 -8.055 14.491 -16.687 1.00 0.00 H ATOM 453 HH22 ARG A1307 -9.450 17.272 -14.953 1.00 0.00 H ATOM 454 HH21 ARG A1307 -10.480 16.246 -13.890 1.00 0.00 H ATOM 455 H ARG A1307 -11.628 11.510 -12.255 1.00 0.00 H ATOM 456 N ILE A1308 -9.279 10.279 -10.413 1.00 10.43 N ATOM 457 CA ILE A1308 -8.511 9.889 -9.235 1.00 10.15 C ATOM 458 C ILE A1308 -9.088 8.596 -8.670 1.00 10.50 C ATOM 459 O ILE A1308 -10.299 8.437 -8.575 1.00 12.09 O ATOM 460 CB ILE A1308 -8.463 11.002 -8.199 1.00 9.03 C ATOM 461 CG1 ILE A1308 -7.740 12.234 -8.739 1.00 10.14 C ATOM 462 CG2 ILE A1308 -7.798 10.507 -6.924 1.00 9.74 C ATOM 463 CD1 ILE A1308 -7.968 13.514 -7.933 1.00 10.77 C ATOM 464 H ILE A1308 -9.880 11.126 -10.366 1.00 0.00 H ATOM 465 N GLN A1309 -8.204 7.663 -8.315 1.00 9.46 N ATOM 466 CA GLN A1309 -8.616 6.355 -7.788 1.00 9.08 C ATOM 467 C GLN A1309 -7.990 6.098 -6.413 1.00 8.62 C ATOM 468 O GLN A1309 -6.913 6.599 -6.111 1.00 8.75 O ATOM 469 CB GLN A1309 -8.176 5.224 -8.719 1.00 11.01 C ATOM 470 CG GLN A1309 -8.774 5.347 -10.098 1.00 12.79 C ATOM 471 CD GLN A1309 -10.239 5.065 -10.075 1.00 13.65 C ATOM 472 OE1 GLN A1309 -10.659 4.018 -9.556 1.00 14.71 O ATOM 473 NE2 GLN A1309 -11.050 5.947 -10.664 1.00 14.68 N ATOM 474 HE22 GLN A1309 -10.658 6.812 -11.087 1.00 0.00 H ATOM 475 HE21 GLN A1309 -12.074 5.769 -10.700 1.00 0.00 H ATOM 476 H GLN A1309 -7.189 7.868 -8.414 1.00 0.00 H ATOM 477 N VAL A1310 -8.613 5.197 -5.656 1.00 9.67 N ATOM 478 CA VAL A1310 -8.003 4.702 -4.456 1.00 9.47 C ATOM 479 C VAL A1310 -6.597 4.154 -4.764 1.00 8.71 C ATOM 480 O VAL A1310 -6.418 3.496 -5.781 1.00 9.92 O ATOM 481 CB VAL A1310 -8.925 3.627 -3.834 1.00 11.08 C ATOM 482 CG1 VAL A1310 -8.221 2.862 -2.714 1.00 11.90 C ATOM 483 CG2 VAL A1310 -10.206 4.258 -3.302 1.00 12.39 C ATOM 484 H VAL A1310 -9.552 4.849 -5.938 1.00 0.00 H ATOM 485 N ASN A1311 -5.648 4.475 -3.912 1.00 8.66 N ATOM 486 CA ASN A1311 -4.235 4.089 -3.994 1.00 8.30 C ATOM 487 C ASN A1311 -3.434 4.951 -4.947 1.00 8.04 C ATOM 488 O ASN A1311 -2.217 4.806 -4.997 1.00 8.95 O ATOM 489 CB ASN A1311 -3.996 2.598 -4.310 1.00 11.05 C ATOM 490 CG ASN A1311 -4.610 1.708 -3.337 1.00 14.47 C ATOM 491 OD1 ASN A1311 -4.688 2.013 -2.153 1.00 15.09 O ATOM 492 ND2 ASN A1311 -5.132 0.593 -3.837 1.00 17.47 N ATOM 493 HD22 ASN A1311 -5.036 0.383 -4.851 1.00 0.00 H ATOM 494 HD21 ASN A1311 -5.636 -0.070 -3.214 1.00 0.00 H ATOM 495 H ASN A1311 -5.927 5.061 -3.099 1.00 0.00 H ATOM 496 N ASP A1312 -4.057 5.917 -5.617 1.00 7.94 N ATOM 497 CA ASP A1312 -3.285 6.939 -6.334 1.00 7.40 C ATOM 498 C ASP A1312 -2.489 7.774 -5.312 1.00 7.20 C ATOM 499 O ASP A1312 -2.916 7.959 -4.174 1.00 8.29 O ATOM 500 CB ASP A1312 -4.172 7.858 -7.153 1.00 7.61 C ATOM 501 CG ASP A1312 -4.671 7.252 -8.440 1.00 8.62 C ATOM 502 OD1 ASP A1312 -4.260 6.112 -8.824 1.00 9.44 O ATOM 503 OD2 ASP A1312 -5.514 7.924 -9.066 1.00 9.93 O ATOM 504 H ASP A1312 -5.096 5.948 -5.633 1.00 0.00 H ATOM 505 N GLN A1313 -1.353 8.295 -5.764 1.00 6.66 N ATOM 506 CA GLN A1313 -0.553 9.219 -5.004 1.00 6.47 C ATOM 507 C GLN A1313 -0.941 10.648 -5.374 1.00 6.68 C ATOM 508 O GLN A1313 -1.023 10.971 -6.568 1.00 7.80 O ATOM 509 CB GLN A1313 0.910 9.030 -5.301 1.00 6.64 C ATOM 510 CG GLN A1313 1.859 9.844 -4.450 1.00 6.70 C ATOM 511 CD GLN A1313 3.291 9.721 -4.878 1.00 6.23 C ATOM 512 OE1 GLN A1313 3.641 8.888 -5.710 1.00 7.31 O ATOM 513 NE2 GLN A1313 4.146 10.560 -4.347 1.00 6.89 N ATOM 514 HE22 GLN A1313 3.824 11.256 -3.644 1.00 0.00 H ATOM 515 HE21 GLN A1313 5.147 10.530 -4.628 1.00 0.00 H ATOM 516 H GLN A1313 -1.026 8.022 -6.713 1.00 0.00 H ATOM 517 N ILE A1314 -1.140 11.521 -4.369 1.00 6.67 N ATOM 518 CA ILE A1314 -1.243 12.960 -4.652 1.00 6.43 C ATOM 519 C ILE A1314 0.141 13.531 -4.481 1.00 6.29 C ATOM 520 O ILE A1314 0.619 13.643 -3.355 1.00 6.86 O ATOM 521 CB ILE A1314 -2.273 13.682 -3.740 1.00 7.52 C ATOM 522 CG1 ILE A1314 -3.645 13.005 -3.803 1.00 8.71 C ATOM 523 CG2 ILE A1314 -2.360 15.156 -4.145 1.00 8.07 C ATOM 524 CD1 ILE A1314 -4.683 13.640 -2.932 1.00 10.04 C ATOM 525 H ILE A1314 -1.221 11.177 -3.391 1.00 0.00 H ATOM 526 N ILE A1315 0.804 13.820 -5.579 1.00 6.95 N ATOM 527 CA ILE A1315 2.199 14.244 -5.564 1.00 7.36 C ATOM 528 C ILE A1315 2.326 15.733 -5.245 1.00 7.31 C ATOM 529 O ILE A1315 3.255 16.133 -4.551 1.00 8.47 O ATOM 530 CB ILE A1315 2.902 13.904 -6.917 1.00 7.10 C ATOM 531 CG1 ILE A1315 2.824 12.399 -7.221 1.00 7.56 C ATOM 532 CG2 ILE A1315 4.325 14.381 -6.933 1.00 9.00 C ATOM 533 CD1 ILE A1315 3.149 12.042 -8.630 1.00 9.00 C ATOM 534 H ILE A1315 0.315 13.743 -6.493 1.00 0.00 H ATOM 535 N GLU A1316 1.411 16.529 -5.780 1.00 7.50 N ATOM 536 CA GLU A1316 1.469 17.976 -5.682 1.00 7.68 C ATOM 537 C GLU A1316 0.048 18.509 -5.859 1.00 7.83 C ATOM 538 O GLU A1316 -0.759 17.920 -6.590 1.00 8.46 O ATOM 539 CB GLU A1316 2.394 18.554 -6.771 1.00 10.59 C ATOM 540 CG GLU A1316 2.764 20.054 -6.621 1.00 12.83 C ATOM 541 CD GLU A1316 3.715 20.434 -7.720 1.00 17.70 C ATOM 542 OE1 GLU A1316 4.922 20.205 -7.516 1.00 20.05 O ATOM 543 OE2 GLU A1316 3.203 20.789 -8.788 1.00 19.67 O ATOM 544 H GLU A1316 0.616 16.097 -6.293 1.00 0.00 H ATOM 545 N VAL A1317 -0.245 19.620 -5.191 1.00 7.97 N ATOM 546 CA VAL A1317 -1.527 20.287 -5.375 1.00 8.82 C ATOM 547 C VAL A1317 -1.294 21.791 -5.376 1.00 9.21 C ATOM 548 O VAL A1317 -0.644 22.342 -4.492 1.00 9.50 O ATOM 549 CB VAL A1317 -2.573 19.825 -4.384 1.00 9.59 C ATOM 550 CG1 VAL A1317 -2.147 20.138 -2.979 1.00 8.25 C ATOM 551 CG2 VAL A1317 -3.936 20.508 -4.701 1.00 11.83 C ATOM 552 H VAL A1317 0.450 20.019 -4.528 1.00 0.00 H ATOM 553 N ASP A1318 -1.799 22.438 -6.426 1.00 9.49 N ATOM 554 CA ASP A1318 -1.697 23.908 -6.566 1.00 10.34 C ATOM 555 C ASP A1318 -0.254 24.370 -6.349 1.00 11.47 C ATOM 556 O ASP A1318 0.007 25.380 -5.707 1.00 12.66 O ATOM 557 CB ASP A1318 -2.665 24.639 -5.624 1.00 9.96 C ATOM 558 CG ASP A1318 -4.104 24.426 -5.983 1.00 11.00 C ATOM 559 OD1 ASP A1318 -4.405 24.102 -7.155 1.00 11.80 O ATOM 560 OD2 ASP A1318 -4.959 24.667 -5.105 1.00 12.92 O ATOM 561 H ASP A1318 -2.280 21.893 -7.170 1.00 0.00 H ATOM 562 N GLY A1319 0.695 23.634 -6.901 1.00 11.55 N ATOM 563 CA GLY A1319 2.099 23.965 -6.790 1.00 12.17 C ATOM 564 C GLY A1319 2.796 23.626 -5.508 1.00 11.51 C ATOM 565 O GLY A1319 3.989 23.882 -5.368 1.00 14.06 O ATOM 566 H GLY A1319 0.422 22.785 -7.435 1.00 0.00 H ATOM 567 N LYS A1320 2.085 23.043 -4.565 1.00 9.99 N ATOM 568 CA LYS A1320 2.662 22.669 -3.293 1.00 10.38 C ATOM 569 C LYS A1320 2.945 21.171 -3.264 1.00 8.96 C ATOM 570 O LYS A1320 2.051 20.343 -3.432 1.00 9.34 O ATOM 571 CB LYS A1320 1.692 23.034 -2.167 1.00 12.71 C ATOM 572 CG LYS A1320 1.443 24.556 -2.091 1.00 19.00 C ATOM 573 CD LYS A1320 2.588 25.249 -1.418 1.00 24.41 C ATOM 574 CE LYS A1320 2.184 26.613 -0.766 1.00 28.32 C ATOM 575 NZ LYS A1320 3.198 27.144 0.207 1.00 30.75 N ATOM 576 HZ1 LYS A1320 3.328 26.459 0.979 1.00 0.00 H ATOM 577 HZ2 LYS A1320 4.103 27.292 -0.283 1.00 0.00 H ATOM 578 HZ3 LYS A1320 2.862 28.048 0.597 1.00 0.00 H ATOM 579 H LYS A1320 1.079 22.846 -4.740 1.00 0.00 H ATOM 580 N SER A1321 4.212 20.822 -3.087 1.00 8.66 N ATOM 581 CA SER A1321 4.615 19.433 -3.054 1.00 8.48 C ATOM 582 C SER A1321 4.044 18.749 -1.830 1.00 8.43 C ATOM 583 O SER A1321 4.094 19.282 -0.689 1.00 9.77 O ATOM 584 CB SER A1321 6.118 19.332 -2.996 1.00 9.17 C ATOM 585 OG SER A1321 6.534 17.980 -2.912 1.00 10.78 O ATOM 586 HG SER A1321 6.213 17.487 -3.708 1.00 0.00 H ATOM 587 H SER A1321 4.932 21.563 -2.969 1.00 0.00 H ATOM 588 N LEU A1322 3.572 17.501 -2.040 1.00 8.18 N ATOM 589 CA LEU A1322 3.125 16.634 -0.957 1.00 7.59 C ATOM 590 C LEU A1322 4.083 15.435 -0.836 1.00 7.43 C ATOM 591 O LEU A1322 3.690 14.342 -0.443 1.00 7.45 O ATOM 592 CB LEU A1322 1.698 16.183 -1.091 1.00 7.33 C ATOM 593 CG LEU A1322 0.656 17.265 -1.164 1.00 9.45 C ATOM 594 CD1 LEU A1322 -0.733 16.650 -1.186 1.00 10.56 C ATOM 595 CD2 LEU A1322 0.759 18.293 -0.092 1.00 10.79 C ATOM 596 H LEU A1322 3.526 17.144 -3.016 1.00 0.00 H ATOM 597 N VAL A1323 5.367 15.666 -1.140 1.00 7.76 N ATOM 598 CA VAL A1323 6.429 14.675 -0.943 1.00 8.30 C ATOM 599 C VAL A1323 7.229 15.100 0.259 1.00 8.88 C ATOM 600 O VAL A1323 7.710 16.221 0.307 1.00 10.10 O ATOM 601 CB VAL A1323 7.312 14.590 -2.218 1.00 10.14 C ATOM 602 CG1 VAL A1323 8.547 13.740 -1.943 1.00 10.27 C ATOM 603 CG2 VAL A1323 6.482 14.033 -3.378 1.00 11.64 C ATOM 604 H VAL A1323 5.623 16.593 -1.535 1.00 0.00 H ATOM 605 N GLY A1324 7.354 14.226 1.241 1.00 7.93 N ATOM 606 CA GLY A1324 8.135 14.548 2.423 1.00 9.03 C ATOM 607 C GLY A1324 7.502 15.581 3.334 1.00 9.18 C ATOM 608 O GLY A1324 8.085 16.588 3.690 1.00 11.01 O ATOM 609 H GLY A1324 6.889 13.299 1.168 1.00 0.00 H ATOM 610 N VAL A1325 6.243 15.317 3.677 1.00 8.38 N ATOM 611 CA VAL A1325 5.415 16.257 4.480 1.00 8.59 C ATOM 612 C VAL A1325 4.617 15.475 5.491 1.00 7.89 C ATOM 613 O VAL A1325 4.372 14.268 5.307 1.00 7.72 O ATOM 614 CB VAL A1325 4.448 17.070 3.577 1.00 9.38 C ATOM 615 CG1 VAL A1325 5.230 17.898 2.550 1.00 10.33 C ATOM 616 CG2 VAL A1325 3.449 16.198 2.876 1.00 8.92 C ATOM 617 H VAL A1325 5.821 14.417 3.371 1.00 0.00 H ATOM 618 N THR A1326 4.240 16.138 6.584 1.00 8.05 N ATOM 619 CA THR A1326 3.365 15.456 7.519 1.00 7.68 C ATOM 620 C THR A1326 1.973 15.250 6.946 1.00 8.02 C ATOM 621 O THR A1326 1.523 15.972 6.030 1.00 8.06 O ATOM 622 CB THR A1326 3.265 16.205 8.859 1.00 8.40 C ATOM 623 OG1 THR A1326 2.517 17.385 8.632 1.00 9.27 O ATOM 624 CG2 THR A1326 4.646 16.478 9.464 1.00 8.84 C ATOM 625 HG1 THR A1326 2.435 17.891 9.479 1.00 0.00 H ATOM 626 H THR A1326 4.562 17.111 6.761 1.00 0.00 H ATOM 627 N GLN A1327 1.246 14.279 7.498 1.00 7.69 N ATOM 628 CA GLN A1327 -0.156 14.072 7.092 1.00 7.70 C ATOM 629 C GLN A1327 -0.990 15.307 7.385 1.00 7.73 C ATOM 630 O GLN A1327 -1.852 15.720 6.586 1.00 8.07 O ATOM 631 CB GLN A1327 -0.696 12.839 7.747 1.00 8.23 C ATOM 632 CG GLN A1327 -2.046 12.406 7.319 1.00 9.84 C ATOM 633 CD GLN A1327 -2.457 11.083 7.947 1.00 10.34 C ATOM 634 OE1 GLN A1327 -1.872 10.637 8.935 1.00 12.56 O ATOM 635 NE2 GLN A1327 -3.493 10.457 7.389 1.00 10.46 N ATOM 636 HE22 GLN A1327 -3.960 10.867 6.555 1.00 0.00 H ATOM 637 HE21 GLN A1327 -3.834 9.559 7.788 1.00 0.00 H ATOM 638 H GLN A1327 1.671 13.663 8.220 1.00 0.00 H ATOM 639 N ALA A1328 -0.761 15.920 8.545 1.00 7.76 N ATOM 640 CA ALA A1328 -1.493 17.143 8.884 1.00 8.72 C ATOM 641 C ALA A1328 -1.240 18.280 7.909 1.00 8.22 C ATOM 642 O ALA A1328 -2.160 19.008 7.525 1.00 9.02 O ATOM 643 CB ALA A1328 -1.135 17.578 10.342 1.00 9.84 C ATOM 644 H ALA A1328 -0.063 15.531 9.210 1.00 0.00 H ATOM 645 N TYR A1329 0.032 18.449 7.517 1.00 8.24 N ATOM 646 CA TYR A1329 0.384 19.504 6.529 1.00 8.24 C ATOM 647 C TYR A1329 -0.341 19.220 5.212 1.00 7.50 C ATOM 648 O TYR A1329 -0.945 20.108 4.616 1.00 7.74 O ATOM 649 CB TYR A1329 1.893 19.576 6.307 1.00 10.08 C ATOM 650 CG TYR A1329 2.311 20.536 5.201 1.00 11.21 C ATOM 651 CD1 TYR A1329 2.497 21.866 5.427 1.00 14.43 C ATOM 652 CD2 TYR A1329 2.434 20.095 3.917 1.00 11.53 C ATOM 653 CE1 TYR A1329 2.843 22.715 4.351 1.00 15.42 C ATOM 654 CE2 TYR A1329 2.795 20.898 2.884 1.00 12.31 C ATOM 655 CZ TYR A1329 3.000 22.201 3.092 1.00 14.51 C ATOM 656 OH TYR A1329 3.362 23.041 2.058 1.00 17.76 O ATOM 657 HH TYR A1329 4.219 22.733 1.669 1.00 0.00 H ATOM 658 H TYR A1329 0.778 17.838 7.907 1.00 0.00 H ATOM 659 N ALA A1330 -0.221 17.980 4.751 1.00 7.25 N ATOM 660 CA ALA A1330 -0.849 17.656 3.463 1.00 7.55 C ATOM 661 C ALA A1330 -2.340 17.906 3.486 1.00 6.80 C ATOM 662 O ALA A1330 -2.932 18.445 2.551 1.00 7.87 O ATOM 663 CB ALA A1330 -0.560 16.177 3.127 1.00 8.09 C ATOM 664 H ALA A1330 0.303 17.259 5.287 1.00 0.00 H ATOM 665 N ALA A1331 -3.009 17.448 4.548 1.00 7.19 N ATOM 666 CA ALA A1331 -4.450 17.629 4.656 1.00 7.47 C ATOM 667 C ALA A1331 -4.793 19.115 4.710 1.00 7.89 C ATOM 668 O ALA A1331 -5.806 19.553 4.158 1.00 8.81 O ATOM 669 CB ALA A1331 -4.957 16.939 5.899 1.00 8.16 C ATOM 670 H ALA A1331 -2.495 16.956 5.307 1.00 0.00 H ATOM 671 N SER A1332 -3.978 19.890 5.431 1.00 8.49 N ATOM 672 CA SER A1332 -4.241 21.314 5.502 1.00 8.51 C ATOM 673 C SER A1332 -4.105 22.000 4.173 1.00 8.34 C ATOM 674 O SER A1332 -4.918 22.850 3.854 1.00 9.39 O ATOM 675 CB SER A1332 -3.330 21.886 6.580 1.00 10.22 C ATOM 676 OG SER A1332 -3.640 21.323 7.849 1.00 10.51 O ATOM 677 HG SER A1332 -3.517 20.341 7.812 1.00 0.00 H ATOM 678 H SER A1332 -3.167 19.478 5.934 1.00 0.00 H ATOM 679 N VAL A1333 -3.069 21.672 3.405 1.00 8.79 N ATOM 680 CA VAL A1333 -2.962 22.193 2.070 1.00 9.70 C ATOM 681 C VAL A1333 -4.226 21.857 1.265 1.00 9.00 C ATOM 682 O VAL A1333 -4.792 22.700 0.552 1.00 9.84 O ATOM 683 CB VAL A1333 -1.668 21.634 1.370 1.00 11.00 C ATOM 684 CG1 VAL A1333 -1.656 21.961 -0.098 1.00 12.83 C ATOM 685 CG2 VAL A1333 -0.442 22.210 2.029 1.00 11.83 C ATOM 686 H VAL A1333 -2.333 21.036 3.773 1.00 0.00 H ATOM 687 N LEU A1334 -4.596 20.580 1.297 1.00 8.28 N ATOM 688 CA LEU A1334 -5.776 20.155 0.540 1.00 8.25 C ATOM 689 C LEU A1334 -7.085 20.875 0.989 1.00 8.38 C ATOM 690 O LEU A1334 -7.932 21.240 0.177 1.00 10.01 O ATOM 691 CB LEU A1334 -5.920 18.615 0.611 1.00 8.64 C ATOM 692 CG LEU A1334 -4.864 17.863 -0.196 1.00 9.15 C ATOM 693 CD1 LEU A1334 -4.635 16.448 0.333 1.00 9.34 C ATOM 694 CD2 LEU A1334 -5.169 17.869 -1.663 1.00 11.29 C ATOM 695 H LEU A1334 -4.053 19.890 1.854 1.00 0.00 H ATOM 696 N ARG A1335 -7.216 21.056 2.301 1.00 8.09 N ATOM 697 CA ARG A1335 -8.389 21.741 2.816 1.00 8.31 C ATOM 698 C ARG A1335 -8.436 23.222 2.451 1.00 9.26 C ATOM 699 O ARG A1335 -9.498 23.791 2.389 1.00 10.21 O ATOM 700 CB ARG A1335 -8.475 21.536 4.348 1.00 8.03 C ATOM 701 CG ARG A1335 -8.860 20.088 4.693 1.00 7.95 C ATOM 702 CD ARG A1335 -8.535 19.750 6.127 1.00 8.00 C ATOM 703 NE ARG A1335 -8.918 18.385 6.454 1.00 7.75 N ATOM 704 CZ ARG A1335 -8.707 17.817 7.647 1.00 7.61 C ATOM 705 NH1 ARG A1335 -8.023 18.461 8.564 1.00 8.59 N ATOM 706 NH2 ARG A1335 -9.141 16.604 7.917 1.00 8.69 N ATOM 707 HE ARG A1335 -9.383 17.817 5.717 1.00 0.00 H ATOM 708 HH12 ARG A1335 -7.857 18.023 9.492 1.00 0.00 H ATOM 709 HH11 ARG A1335 -7.647 19.409 8.362 1.00 0.00 H ATOM 710 HH22 ARG A1335 -8.964 16.185 8.852 1.00 0.00 H ATOM 711 HH21 ARG A1335 -9.661 16.065 7.195 1.00 0.00 H ATOM 712 H ARG A1335 -6.484 20.709 2.953 1.00 0.00 H ATOM 713 N ASN A1336 -7.272 23.830 2.224 1.00 9.78 N ATOM 714 CA ASN A1336 -7.172 25.252 1.820 1.00 10.18 C ATOM 715 C ASN A1336 -7.349 25.503 0.334 1.00 11.18 C ATOM 716 O ASN A1336 -7.388 26.642 -0.080 1.00 12.87 O ATOM 717 CB ASN A1336 -5.831 25.807 2.291 1.00 11.63 C ATOM 718 CG ASN A1336 -5.831 26.181 3.697 1.00 15.28 C ATOM 719 OD1 ASN A1336 -6.902 26.327 4.316 1.00 15.92 O ATOM 720 ND2 ASN A1336 -4.627 26.343 4.247 1.00 18.34 N ATOM 721 HD22 ASN A1336 -3.770 26.206 3.673 1.00 0.00 H ATOM 722 HD21 ASN A1336 -4.545 26.607 5.250 1.00 0.00 H ATOM 723 H ASN A1336 -6.395 23.282 2.335 1.00 0.00 H ATOM 724 N THR A1337 -7.486 24.458 -0.448 1.00 11.26 N ATOM 725 CA THR A1337 -7.819 24.656 -1.856 1.00 12.00 C ATOM 726 C THR A1337 -9.208 25.296 -1.983 1.00 12.65 C ATOM 727 O THR A1337 -10.021 25.223 -1.053 1.00 13.90 O ATOM 728 CB THR A1337 -7.733 23.309 -2.614 1.00 13.02 C ATOM 729 OG1 THR A1337 -8.733 22.405 -2.127 1.00 13.42 O ATOM 730 CG2 THR A1337 -6.391 22.698 -2.548 1.00 13.29 C ATOM 731 HG1 THR A1337 -8.589 22.245 -1.161 1.00 0.00 H ATOM 732 H THR A1337 -7.359 23.498 -0.069 1.00 0.00 H ATOM 733 N SER A1338 -9.474 25.908 -3.131 1.00 12.52 N ATOM 734 CA SER A1338 -10.717 26.641 -3.344 1.00 13.84 C ATOM 735 C SER A1338 -10.942 26.761 -4.853 1.00 13.72 C ATOM 736 O SER A1338 -9.994 26.977 -5.583 1.00 14.43 O ATOM 737 CB SER A1338 -10.589 28.029 -2.715 1.00 15.36 C ATOM 738 OG SER A1338 -11.792 28.737 -2.817 1.00 17.08 O ATOM 739 HG SER A1338 -12.033 28.841 -3.772 1.00 0.00 H ATOM 740 H SER A1338 -8.776 25.863 -3.901 1.00 0.00 H ATOM 741 N GLY A1339 -12.166 26.643 -5.328 1.00 13.40 N ATOM 742 CA GLY A1339 -12.435 26.799 -6.757 1.00 12.94 C ATOM 743 C GLY A1339 -11.692 25.740 -7.564 1.00 12.31 C ATOM 744 O GLY A1339 -11.757 24.538 -7.238 1.00 12.46 O ATOM 745 H GLY A1339 -12.951 26.436 -4.678 1.00 0.00 H ATOM 746 N LEU A1340 -11.021 26.146 -8.635 1.00 12.00 N ATOM 747 CA LEU A1340 -10.277 25.200 -9.447 1.00 12.61 C ATOM 748 C LEU A1340 -9.073 24.725 -8.671 1.00 11.98 C ATOM 749 O LEU A1340 -8.352 25.529 -8.098 1.00 13.19 O ATOM 750 CB LEU A1340 -9.834 25.867 -10.717 1.00 14.80 C ATOM 751 CG LEU A1340 -9.187 24.969 -11.806 1.00 16.50 C ATOM 752 CD1 LEU A1340 -10.178 23.896 -12.275 1.00 17.00 C ATOM 753 CD2 LEU A1340 -8.599 25.759 -12.968 1.00 18.37 C ATOM 754 H LEU A1340 -11.028 27.153 -8.895 1.00 0.00 H ATOM 755 N VAL A1341 -8.871 23.412 -8.632 1.00 10.66 N ATOM 756 CA VAL A1341 -7.763 22.791 -7.912 1.00 10.44 C ATOM 757 C VAL A1341 -6.960 21.992 -8.929 1.00 10.58 C ATOM 758 O VAL A1341 -7.538 21.256 -9.736 1.00 11.57 O ATOM 759 CB VAL A1341 -8.282 21.867 -6.788 1.00 11.88 C ATOM 760 CG1 VAL A1341 -7.125 21.348 -5.986 1.00 11.81 C ATOM 761 CG2 VAL A1341 -9.294 22.598 -5.958 1.00 12.73 C ATOM 762 H VAL A1341 -9.536 22.795 -9.140 1.00 0.00 H ATOM 763 N LYS A1342 -5.622 22.116 -8.896 1.00 9.98 N ATOM 764 CA LYS A1342 -4.746 21.489 -9.856 1.00 9.69 C ATOM 765 C LYS A1342 -3.860 20.478 -9.135 1.00 10.09 C ATOM 766 O LYS A1342 -3.154 20.791 -8.179 1.00 13.51 O ATOM 767 CB LYS A1342 -3.864 22.510 -10.529 1.00 11.02 C ATOM 768 CG LYS A1342 -4.684 23.532 -11.310 1.00 14.42 C ATOM 769 CD LYS A1342 -3.833 24.576 -11.965 1.00 18.93 C ATOM 770 CE LYS A1342 -4.640 25.510 -12.850 1.00 22.29 C ATOM 771 NZ LYS A1342 -3.802 26.535 -13.544 1.00 24.30 N ATOM 772 HZ1 LYS A1342 -3.312 27.118 -12.836 1.00 0.00 H ATOM 773 HZ2 LYS A1342 -3.101 26.058 -14.147 1.00 0.00 H ATOM 774 HZ3 LYS A1342 -4.411 27.140 -14.131 1.00 0.00 H ATOM 775 H LYS A1342 -5.197 22.692 -8.142 1.00 0.00 H ATOM 776 N PHE A1343 -3.877 19.240 -9.576 1.00 8.88 N ATOM 777 CA PHE A1343 -3.106 18.142 -8.965 1.00 8.86 C ATOM 778 C PHE A1343 -2.119 17.524 -9.937 1.00 8.44 C ATOM 779 O PHE A1343 -2.367 17.508 -11.164 1.00 9.33 O ATOM 780 CB PHE A1343 -4.040 16.967 -8.596 1.00 9.47 C ATOM 781 CG PHE A1343 -5.152 17.291 -7.641 1.00 10.30 C ATOM 782 CD1 PHE A1343 -4.968 17.160 -6.286 1.00 11.73 C ATOM 783 CD2 PHE A1343 -6.393 17.688 -8.080 1.00 11.93 C ATOM 784 CE1 PHE A1343 -6.006 17.398 -5.400 1.00 12.72 C ATOM 785 CE2 PHE A1343 -7.398 17.943 -7.205 1.00 13.61 C ATOM 786 CZ PHE A1343 -7.211 17.810 -5.874 1.00 13.20 C ATOM 787 H PHE A1343 -4.468 19.022 -10.403 1.00 0.00 H ATOM 788 N GLN A1344 -1.044 16.962 -9.369 1.00 7.91 N ATOM 789 CA GLN A1344 -0.226 15.946 -10.053 1.00 7.59 C ATOM 790 C GLN A1344 -0.540 14.638 -9.322 1.00 6.76 C ATOM 791 O GLN A1344 -0.417 14.592 -8.100 1.00 7.01 O ATOM 792 CB GLN A1344 1.267 16.254 -9.997 1.00 8.99 C ATOM 793 CG GLN A1344 1.700 17.537 -10.674 1.00 9.97 C ATOM 794 CD GLN A1344 1.329 17.540 -12.148 1.00 9.73 C ATOM 795 OE1 GLN A1344 1.090 16.487 -12.749 1.00 12.01 O ATOM 796 NE2 GLN A1344 1.322 18.715 -12.766 1.00 10.27 N ATOM 797 HE22 GLN A1344 1.527 19.584 -12.233 1.00 0.00 H ATOM 798 HE21 GLN A1344 1.111 18.766 -13.783 1.00 0.00 H ATOM 799 H GLN A1344 -0.776 17.254 -8.407 1.00 0.00 H ATOM 800 N ILE A1345 -0.942 13.626 -10.073 1.00 6.97 N ATOM 801 CA ILE A1345 -1.338 12.317 -9.541 1.00 7.21 C ATOM 802 C ILE A1345 -0.389 11.231 -10.057 1.00 7.43 C ATOM 803 O ILE A1345 -0.066 11.251 -11.248 1.00 7.82 O ATOM 804 CB ILE A1345 -2.816 11.981 -9.929 1.00 8.21 C ATOM 805 CG1 ILE A1345 -3.778 13.111 -9.508 1.00 8.19 C ATOM 806 CG2 ILE A1345 -3.218 10.646 -9.364 1.00 8.53 C ATOM 807 CD1 ILE A1345 -3.881 13.362 -8.024 1.00 9.72 C ATOM 808 H ILE A1345 -0.980 13.767 -11.103 1.00 0.00 H ATOM 809 N GLY A1346 0.015 10.316 -9.184 1.00 7.45 N ATOM 810 CA GLY A1346 0.795 9.158 -9.572 1.00 7.71 C ATOM 811 C GLY A1346 0.028 7.861 -9.419 1.00 7.81 C ATOM 812 O GLY A1346 -0.737 7.661 -8.482 1.00 8.52 O ATOM 813 H GLY A1346 -0.238 10.435 -8.182 1.00 0.00 H ATOM 814 N ARG A1347 0.298 6.933 -10.337 1.00 8.88 N ATOM 815 CA ARG A1347 -0.257 5.589 -10.344 1.00 9.55 C ATOM 816 C ARG A1347 0.754 4.539 -10.879 1.00 9.70 C ATOM 817 O ARG A1347 0.526 3.344 -10.618 1.00 11.65 O ATOM 818 CB ARG A1347 -1.512 5.586 -11.257 1.00 10.23 C ATOM 819 CG ARG A1347 -2.384 4.337 -11.221 1.00 11.59 C ATOM 820 CD ARG A1347 -3.586 4.486 -12.106 1.00 11.84 C ATOM 821 NE ARG A1347 -4.482 5.499 -11.594 1.00 10.14 N ATOM 822 CZ ARG A1347 -5.449 6.076 -12.265 1.00 10.55 C ATOM 823 NH1 ARG A1347 -5.652 5.757 -13.527 1.00 11.72 N ATOM 824 NH2 ARG A1347 -6.200 6.999 -11.695 1.00 10.70 N ATOM 825 OXT ARG A1347 1.707 4.887 -11.617 1.00 9.92 O ATOM 826 HE ARG A1347 -4.347 5.796 -10.606 1.00 0.00 H ATOM 827 HH12 ARG A1347 -6.418 6.213 -14.062 1.00 0.00 H ATOM 828 HH11 ARG A1347 -5.046 5.049 -13.988 1.00 0.00 H ATOM 829 HH22 ARG A1347 -6.965 7.452 -12.234 1.00 0.00 H ATOM 830 HH21 ARG A1347 -6.027 7.273 -10.707 1.00 0.00 H ATOM 831 H ARG A1347 0.953 7.189 -11.103 1.00 0.00 H TER 832 ARG A1347 HETATM 833 ZN ZN A 1 -0.102 2.912 15.186 1.00 10.65 ZN HETATM 834 O HOH 2 1.774 16.198 -15.218 1.00 10.71 O HETATM 835 O HOH 3 2.672 25.738 2.305 1.00 41.33 O HETATM 836 O HOH 4 -18.575 7.710 0.301 1.00 39.28 O HETATM 837 O HOH 5 -20.094 17.048 4.873 1.00 37.38 O HETATM 838 O HOH 6 -3.203 20.836 -14.995 1.00 24.61 O HETATM 839 O HOH 7 -16.835 6.587 -4.061 1.00 32.73 O HETATM 840 O HOH 8 4.728 21.884 0.063 1.00 17.93 O HETATM 841 O HOH 9 -4.747 3.597 -8.034 1.00 10.67 O HETATM 842 O HOH 10 5.198 9.084 10.792 1.00 14.08 O HETATM 843 O HOH 11 10.424 -0.347 -13.321 1.00 18.23 O HETATM 844 O HOH 12 -23.731 6.812 -2.769 1.00 44.46 O HETATM 845 O HOH 13 9.310 10.171 9.232 1.00 8.39 O HETATM 846 O HOH 14 6.688 19.721 -9.544 1.00 15.34 O HETATM 847 O HOH 15 0.800 10.705 -18.130 1.00 17.64 O HETATM 848 O HOH 16 -8.683 27.069 6.256 1.00 15.41 O HETATM 849 O HOH 17 12.008 13.338 13.712 1.00 10.71 O HETATM 850 O HOH 18 -16.895 19.484 -8.741 1.00 29.23 O HETATM 851 O HOH 19 8.394 18.820 5.279 1.00 32.41 O HETATM 852 O HOH 20 0.107 2.901 -7.919 1.00 14.02 O HETATM 853 O HOH 21 12.162 18.329 7.235 1.00 40.31 O HETATM 854 O HOH 22 5.928 17.208 -5.512 1.00 17.75 O HETATM 855 O HOH 23 -11.483 24.074 4.324 1.00 21.19 O HETATM 856 O HOH 24 -17.142 17.122 4.236 1.00 27.39 O HETATM 857 O HOH 25 -9.801 22.585 -16.043 1.00 24.67 O HETATM 858 O HOH 26 -7.949 1.350 -6.719 1.00 16.21 O HETATM 859 O HOH 27 7.385 7.677 -16.406 1.00 13.44 O HETATM 860 O HOH 28 16.403 10.945 9.802 1.00 16.73 O HETATM 861 O HOH 29 11.668 11.565 8.587 1.00 14.55 O HETATM 862 O HOH 30 -19.423 21.229 5.582 1.00 31.86 O HETATM 863 O HOH 31 5.652 9.360 13.715 1.00 13.55 O HETATM 864 O HOH 32 -7.007 25.748 -16.060 1.00 27.69 O HETATM 865 O HOH 33 2.718 6.648 -7.211 1.00 9.84 O HETATM 866 O HOH 34 0.387 10.735 10.671 1.00 12.46 O HETATM 867 O HOH 35 -8.465 28.372 -7.887 1.00 22.31 O HETATM 868 O HOH 36 1.783 21.191 -11.232 1.00 24.47 O HETATM 869 O HOH 37 4.375 3.946 6.151 1.00 11.93 O HETATM 870 O HOH 38 1.982 8.522 11.625 1.00 19.12 O HETATM 871 O HOH 39 -3.019 26.869 6.580 1.00 34.09 O HETATM 872 O HOH 40 -0.331 2.770 -4.220 1.00 15.46 O HETATM 873 O HOH 41 6.310 22.791 -3.259 1.00 22.58 O HETATM 874 O HOH 42 7.076 -0.844 -19.924 1.00 32.53 O HETATM 875 O HOH 43 -15.710 25.400 -6.928 1.00 12.97 O HETATM 876 O HOH 44 -8.820 1.801 -9.318 1.00 16.72 O HETATM 877 O HOH 45 15.778 7.664 7.181 1.00 10.33 O HETATM 878 O HOH 46 6.840 5.637 0.597 1.00 13.60 O HETATM 879 O HOH 47 -7.092 13.436 -17.954 1.00 17.29 O HETATM 880 O HOH 48 -14.726 19.331 -11.408 1.00 20.23 O HETATM 881 O HOH 49 7.639 14.724 14.039 1.00 18.18 O HETATM 882 O HOH 50 -7.993 18.239 -16.072 1.00 21.82 O HETATM 883 O HOH 51 -13.489 4.769 -1.564 1.00 19.01 O HETATM 884 O HOH 52 -2.546 20.014 -12.672 1.00 16.12 O HETATM 885 O HOH 53 -4.808 3.343 -14.983 1.00 23.44 O HETATM 886 O HOH 54 -8.064 6.953 -14.717 1.00 21.52 O HETATM 887 O HOH 55 -10.909 6.477 -14.280 1.00 18.99 O HETATM 888 O HOH 56 -5.722 17.396 -16.791 1.00 22.28 O HETATM 889 O HOH 57 9.694 13.410 10.673 1.00 15.08 O HETATM 890 O HOH 58 -15.940 5.565 0.117 1.00 30.28 O HETATM 891 O HOH 59 9.794 11.709 0.361 1.00 23.79 O HETATM 892 O HOH 60 3.750 5.077 -17.593 1.00 28.18 O HETATM 893 O HOH 61 5.501 -3.410 -15.438 1.00 23.98 O HETATM 894 O HOH 62 2.238 6.233 -18.645 1.00 34.59 O HETATM 895 O HOH 63 12.422 11.184 5.893 1.00 23.45 O HETATM 896 O HOH 64 5.658 25.591 -3.024 1.00 32.70 O HETATM 897 O HOH 65 2.051 17.225 12.068 1.00 22.63 O HETATM 898 O HOH 66 0.225 21.233 9.622 1.00 33.82 O HETATM 899 O HOH 67 -7.348 17.006 -19.321 1.00 39.80 O HETATM 900 O HOH 68 -6.677 21.052 -18.308 1.00 46.17 O HETATM 901 O HOH 69 -11.964 7.813 -16.261 1.00 35.90 O HETATM 902 O HOH 70 -0.481 21.720 -10.984 1.00 34.75 O HETATM 903 O HOH 71 -14.612 4.415 -4.108 1.00 29.98 O HETATM 904 O HOH 72 -15.720 28.032 -6.331 1.00 34.90 O HETATM 905 O HOH 73 -2.456 1.933 -7.700 1.00 15.80 O HETATM 906 O HOH 74 -12.928 21.876 -13.855 1.00 27.03 O HETATM 907 O HOH 75 -24.466 6.176 -4.932 1.00 29.60 O HETATM 908 O HOH 76 0.011 23.403 8.030 1.00 38.49 O HETATM 909 O HOH 77 17.830 8.695 8.772 1.00 17.55 O HETATM 910 O HOH 78 -13.644 5.024 -6.626 1.00 21.72 O HETATM 911 O HOH 79 5.186 27.295 -7.714 1.00 27.66 O HETATM 912 O HOH 80 -11.237 26.536 5.259 1.00 21.61 O HETATM 913 O HOH 81 7.736 22.114 -10.299 1.00 15.60 O HETATM 914 O HOH 82 9.979 -2.962 -13.877 1.00 17.74 O HETATM 915 O HOH 83 12.699 -0.299 -14.955 1.00 19.53 O HETATM 916 O HOH 84 -23.152 8.586 2.064 1.00 36.99 O HETATM 917 O HOH 85 -15.565 14.731 4.559 1.00 21.40 O HETATM 918 O HOH 86 -11.606 1.495 -5.823 1.00 24.58 O HETATM 919 O HOH 87 14.851 9.768 5.713 1.00 18.41 O HETATM 920 O HOH 88 2.397 2.107 5.910 1.00 20.44 O HETATM 921 O HOH 89 12.595 1.394 -17.132 1.00 40.99 O HETATM 922 O HOH 90 8.379 26.222 -5.845 1.00 34.55 O HETATM 923 O HOH 91 12.066 -2.977 -15.856 1.00 25.34 O HETATM 924 O HOH 92 0.387 5.304 -6.545 1.00 11.01 O HETATM 925 O HOH 93 -10.928 12.633 -9.892 1.00 11.04 O HETATM 926 O HOH 94 -15.495 12.468 -4.270 1.00 12.28 O HETATM 927 O HOH 95 -14.254 9.203 1.236 1.00 18.27 O HETATM 928 O HOH 96 -16.624 15.523 1.472 1.00 33.44 O HETATM 929 O HOH 97 2.902 6.126 7.094 1.00 14.50 O HETATM 930 O HOH 98 -0.515 8.390 7.532 1.00 15.35 O HETATM 931 O HOH 99 -3.654 25.051 -0.410 1.00 15.52 O HETATM 932 O HOH 100 -7.395 25.718 -5.259 1.00 14.71 O HETATM 933 O HOH 101 -12.773 9.323 -9.063 1.00 14.53 O HETATM 934 O HOH 102 -4.190 26.050 -2.909 1.00 15.61 O HETATM 935 O HOH 103 -16.906 17.021 -2.755 1.00 14.73 O HETATM 936 O HOH 104 -5.598 26.056 -8.741 1.00 21.26 O HETATM 937 O HOH 105 -6.124 1.015 -0.034 1.00 29.95 O HETATM 938 O HOH 106 5.261 23.215 -9.307 1.00 23.80 O HETATM 939 O HOH 107 9.235 17.726 -1.799 1.00 26.09 O HETATM 940 O HOH 108 2.081 12.672 9.797 1.00 8.54 O HETATM 941 O HOH 109 0.717 14.856 10.923 1.00 11.19 O HETATM 942 O HOH 110 5.360 18.821 6.782 1.00 12.63 O HETATM 943 O HOH 111 -16.053 17.174 -10.136 1.00 16.43 O HETATM 944 O HOH 112 -11.061 4.023 -6.798 1.00 14.86 O HETATM 945 O HOH 113 -17.561 15.051 -1.110 1.00 20.20 O HETATM 946 O HOH 114 -17.326 16.461 -12.493 1.00 27.01 O HETATM 947 O HOH 115 -14.297 26.150 -3.259 1.00 22.16 O HETATM 948 O HOH 116 -19.079 18.695 -2.189 1.00 21.28 O HETATM 949 O HOH 117 -20.267 14.233 -1.503 1.00 28.59 O HETATM 950 O HOH 118 5.670 24.977 -7.165 1.00 22.13 O HETATM 951 O HOH 119 -4.687 9.001 -16.891 1.00 29.55 O HETATM 952 O HOH 120 -10.811 27.474 2.583 1.00 28.76 O HETATM 953 O HOH 121 -4.171 4.040 -0.249 1.00 26.15 O HETATM 954 O HOH 122 6.886 17.001 12.575 1.00 27.19 O HETATM 955 O HOH 123 -7.160 9.471 -15.902 1.00 35.30 O HETATM 956 O HOH 124 -14.200 7.065 -8.418 1.00 28.80 O HETATM 957 O HOH 125 0.209 21.185 -8.702 1.00 20.83 O HETATM 958 O HOH 126 -8.039 10.810 -18.173 1.00 24.54 O HETATM 959 O HOH 127 1.843 27.304 -4.840 1.00 34.54 O HETATM 960 O HOH 128 -8.802 28.703 1.260 1.00 25.58 O HETATM 961 O HOH 129 -6.131 27.999 -2.166 1.00 25.05 O HETATM 962 O HOH 130 -9.269 -0.178 -5.129 1.00 26.43 O HETATM 963 O HOH 131 4.243 27.065 -3.898 1.00 40.78 O HETATM 964 O HOH 132 -16.705 13.382 -15.429 1.00 38.96 O HETATM 965 O HOH 133 4.651 20.466 8.925 1.00 27.71 O HETATM 966 O HOH 134 -13.775 17.802 -13.456 1.00 23.89 O HETATM 967 O HOH 135 10.801 16.371 -3.760 1.00 24.50 O HETATM 968 O HOH 136 -13.380 10.387 -15.763 1.00 24.41 O HETATM 969 O HOH 137 4.564 18.021 12.980 1.00 27.60 O HETATM 970 O HOH 138 2.546 19.465 10.434 1.00 25.72 O HETATM 971 O HOH 139 -7.261 28.394 -4.605 1.00 31.18 O HETATM 972 O HOH 140 -2.348 26.173 1.709 1.00 24.90 O HETATM 973 O HOH 141 -8.912 -0.822 -2.634 1.00 40.50 O HETATM 974 O HOH 142 11.586 13.525 0.832 1.00 41.74 O HETATM 975 O HOH 143 -5.282 28.463 -6.506 1.00 41.75 O HETATM 976 O HOH 144 -11.576 26.487 0.785 1.00 27.06 O HETATM 977 O HOH 145 -20.054 8.762 -6.636 1.00 28.87 O HETATM 978 O HOH 146 -9.219 20.228 -17.337 1.00 41.18 O HETATM 979 O HOH 147 -12.170 30.102 -5.150 1.00 33.27 O HETATM 980 O HOH 148 -12.843 19.920 -17.521 1.00 41.46 O HETATM 981 O HOH 149 -10.422 2.201 0.539 1.00 33.33 O HETATM 982 O HOH 150 -10.486 1.593 3.286 1.00 39.04 O HETATM 983 O HOH 151 -11.019 0.381 -1.433 1.00 39.26 O HETATM 984 O HOH 152 -11.384 20.449 -15.172 1.00 38.40 O HETATM 985 O HOH 153 -12.287 12.070 -17.753 1.00 48.26 O HETATM 986 O HOH 154 8.082 17.225 10.403 1.00 35.47 O HETATM 987 O HOH 155 6.849 21.554 -6.033 1.00 25.18 O HETATM 988 O HOH 156 -15.626 24.231 -0.871 1.00 44.19 O HETATM 989 O HOH 157 0.287 3.836 5.610 1.00 23.55 O HETATM 990 O HOH 158 -12.637 14.924 -16.216 1.00 30.48 O HETATM 991 O HOH 159 -14.784 14.187 -15.954 1.00 37.86 O HETATM 992 O HOH 160 -2.077 -5.499 11.857 1.00 32.50 O HETATM 993 O HOH 161 2.339 -6.046 10.180 1.00 15.39 O HETATM 994 O HOH 162 -4.160 3.124 8.140 1.00 45.72 O HETATM 995 O HOH 163 6.144 3.603 9.906 1.00 10.70 O HETATM 996 O HOH 164 -4.629 10.542 11.798 1.00 15.26 O HETATM 997 O HOH 165 -11.455 20.589 1.994 1.00 14.41 O HETATM 998 O HOH 166 -7.958 8.533 17.404 1.00 36.87 O HETATM 999 O HOH 167 -14.099 14.321 2.362 1.00 19.17 O HETATM 1000 O HOH 168 -9.198 4.318 9.944 1.00 31.56 O HETATM 1001 O HOH 169 3.583 -2.316 15.428 1.00 21.49 O HETATM 1002 O HOH 170 -4.615 7.841 14.024 1.00 18.35 O HETATM 1003 O HOH 171 -1.824 -1.585 14.249 1.00 25.37 O HETATM 1004 O HOH 172 -7.330 3.090 11.100 1.00 44.46 O HETATM 1005 O HOH 173 -12.280 7.303 10.003 1.00 25.47 O HETATM 1006 O HOH 174 -16.193 7.744 7.032 1.00 25.91 O HETATM 1007 O HOH 175 -6.133 9.334 15.782 1.00 32.55 O HETATM 1008 O HOH 176 -14.997 6.535 4.656 1.00 26.84 O HETATM 1009 O HOH 177 0.361 6.053 8.336 1.00 33.17 O HETATM 1010 N ASP A 178 1.939 2.870 15.571 1.00 0.24 N HETATM 1011 CA ASP A 178 2.545 2.391 14.324 1.00 0.08 C HETATM 1012 C ASP A 178 1.804 3.043 13.170 1.00 0.23 C HETATM 1013 O ASP A 178 0.634 3.359 13.294 1.00 -0.39 O HETATM 1014 N ASP A 178 2.468 3.210 12.045 1.00 -0.26 N HETATM 1015 CA ASP A 178 1.804 3.846 10.908 1.00 0.15 C HETATM 1016 C ASP A 178 0.601 3.068 10.423 1.00 0.21 C HETATM 1017 O ASP A 178 -0.368 3.638 9.934 1.00 -0.39 O HETATM 1018 N ASP A 178 0.664 1.763 10.564 1.00 -0.26 N HETATM 1019 CA ASP A 178 -0.372 0.901 9.994 1.00 0.13 C HETATM 1020 C ASP A 178 -1.792 1.330 10.353 1.00 0.20 C HETATM 1021 O ASP A 178 -2.659 1.337 9.453 1.00 -0.39 O HETATM 1022 N ASP A 178 -2.022 1.664 11.637 1.00 -0.26 N HETATM 1023 CA ASP A 178 -3.402 1.930 12.141 1.00 0.14 C HETATM 1024 C ASP A 178 -3.768 3.423 12.140 1.00 0.21 C HETATM 1025 O ASP A 178 -4.792 3.781 12.707 1.00 -0.39 O HETATM 1026 N ASP A 178 -2.984 4.277 11.500 1.00 -0.26 N HETATM 1027 CA ASP A 178 -3.280 5.704 11.525 1.00 0.13 C HETATM 1028 C ASP A 178 -4.532 6.025 10.708 1.00 0.20 C HETATM 1029 O ASP A 178 -4.721 5.498 9.616 1.00 -0.39 O HETATM 1030 N ASP A 178 -5.378 6.900 11.241 1.00 -0.26 N HETATM 1031 CA ASP A 178 -6.587 7.300 10.583 1.00 0.13 C HETATM 1032 C ASP A 178 -6.329 8.117 9.334 1.00 0.20 C HETATM 1033 O ASP A 178 -5.458 8.975 9.315 1.00 -0.39 O HETATM 1034 N ASP A 178 -7.114 7.869 8.293 1.00 -0.26 N HETATM 1035 CA ASP A 178 -7.127 8.711 7.109 1.00 0.13 C HETATM 1036 C ASP A 178 -7.725 10.064 7.397 1.00 0.20 C HETATM 1037 O ASP A 178 -8.611 10.197 8.273 1.00 -0.39 O HETATM 1038 N ASP A 178 -7.257 11.098 6.710 1.00 -0.26 N HETATM 1039 CA ASP A 178 -7.782 12.438 6.886 1.00 0.14 C HETATM 1040 C ASP A 178 -8.643 12.849 5.694 1.00 0.21 C HETATM 1041 O ASP A 178 -8.226 12.762 4.536 1.00 -0.39 O HETATM 1042 N ASP A 178 -9.859 13.301 5.986 1.00 -0.26 N HETATM 1043 CA ASP A 178 -10.840 13.726 4.996 1.00 0.14 C HETATM 1044 C ASP A 178 -10.637 15.167 4.553 1.00 0.21 C HETATM 1045 O ASP A 178 -10.372 16.056 5.371 1.00 -0.39 O HETATM 1046 N ASP A 178 -10.711 15.369 3.230 1.00 -0.27 N HETATM 1047 CA ASP A 178 -10.467 16.665 2.588 1.00 0.10 C HETATM 1048 C ASP A 178 -11.473 16.924 1.478 1.00 0.06 C HETATM 1049 O ASP A 178 -11.451 18.048 0.942 1.00 -0.57 O HETATM 1050 OXT ASP A 178 -12.213 16.010 1.098 1.00 -0.57 O HETATM 1051 CB ASP A 178 -9.017 16.728 2.029 1.00 -0.01 C HETATM 1052 CG1 ASP A 178 -7.987 16.431 3.116 1.00 -0.06 C HETATM 1053 H79 ASP A 178 -6.976 16.484 2.687 1.00 0.02 H HETATM 1054 H80 ASP A 178 -8.161 15.423 3.521 1.00 0.02 H HETATM 1055 H81 ASP A 178 -8.082 17.172 3.924 1.00 0.02 H HETATM 1056 CG2 ASP A 178 -8.831 15.797 0.899 1.00 -0.06 C HETATM 1057 H82 ASP A 178 -9.575 16.015 0.118 1.00 0.02 H HETATM 1058 H83 ASP A 178 -8.960 14.763 1.251 1.00 0.02 H HETATM 1059 H84 ASP A 178 -7.819 15.920 0.485 1.00 0.02 H HETATM 1060 H78 ASP A 178 -8.843 17.750 1.662 1.00 0.03 H HETATM 1061 H77 ASP A 178 -10.581 17.453 3.347 1.00 0.07 H HETATM 1062 H76 ASP A 178 -10.946 14.591 2.647 1.00 0.19 H HETATM 1063 CB ASP A 178 -12.284 13.523 5.564 1.00 0.02 C HETATM 1064 CG ASP A 178 -12.601 12.067 5.709 1.00 -0.05 C HETATM 1065 CD1 ASP A 178 -12.245 11.365 6.838 1.00 -0.07 C HETATM 1066 CE1 ASP A 178 -12.399 10.002 6.917 1.00 -0.04 C HETATM 1067 CZ ASP A 178 -12.935 9.313 5.841 1.00 0.08 C HETATM 1068 CE2 ASP A 178 -13.350 10.008 4.725 1.00 -0.04 C HETATM 1069 CD2 ASP A 178 -13.167 11.363 4.652 1.00 -0.07 C HETATM 1070 H72 ASP A 178 -13.468 11.895 3.757 1.00 0.05 H HETATM 1071 H74 ASP A 178 -13.822 9.481 3.904 1.00 0.05 H HETATM 1072 OH ASP A 178 -13.078 7.943 5.839 1.00 -0.34 O HETATM 1073 H75 ASP A 178 -13.996 7.722 5.737 1.00 0.25 H HETATM 1074 H73 ASP A 178 -12.104 9.470 7.814 1.00 0.05 H HETATM 1075 H71 ASP A 178 -11.833 11.901 7.686 1.00 0.05 H HETATM 1076 H69 ASP A 178 -13.009 13.983 4.877 1.00 0.05 H HETATM 1077 H70 ASP A 178 -12.355 14.007 6.549 1.00 0.05 H HETATM 1078 H68 ASP A 178 -10.725 13.085 4.110 1.00 0.08 H HETATM 1079 H67 ASP A 178 -10.118 13.353 6.951 1.00 0.19 H HETATM 1080 CB ASP A 178 -6.680 13.478 7.054 1.00 0.00 C HETATM 1081 CG ASP A 178 -5.909 13.453 8.335 1.00 -0.04 C HETATM 1082 CD1 ASP A 178 -5.485 12.356 9.019 1.00 0.02 C HETATM 1083 NE1 ASP A 178 -4.791 12.743 10.160 1.00 -0.29 N HETATM 1084 CE2 ASP A 178 -4.755 14.111 10.229 1.00 0.06 C HETATM 1085 CD2 ASP A 178 -5.446 14.601 9.113 1.00 -0.02 C HETATM 1086 CE3 ASP A 178 -5.593 15.980 8.983 1.00 -0.07 C HETATM 1087 CZ3 ASP A 178 -5.040 16.802 9.922 1.00 -0.08 C HETATM 1088 CH2 ASP A 178 -4.316 16.295 10.992 1.00 -0.08 C HETATM 1089 CZ2 ASP A 178 -4.182 14.957 11.184 1.00 -0.04 C HETATM 1090 H64 ASP A 178 -3.652 14.561 12.043 1.00 0.05 H HETATM 1091 H66 ASP A 178 -3.848 16.981 11.689 1.00 0.05 H HETATM 1092 H65 ASP A 178 -5.169 17.874 9.830 1.00 0.05 H HETATM 1093 H63 ASP A 178 -6.141 16.396 8.145 1.00 0.05 H HETATM 1094 H62 ASP A 178 -4.370 12.101 10.847 1.00 0.22 H HETATM 1095 H61 ASP A 178 -5.663 11.325 8.717 1.00 0.08 H HETATM 1096 H59 ASP A 178 -7.145 14.471 6.967 1.00 0.04 H HETATM 1097 H60 ASP A 178 -5.962 13.336 6.233 1.00 0.04 H HETATM 1098 H58 ASP A 178 -8.406 12.441 7.792 1.00 0.08 H HETATM 1099 H57 ASP A 178 -6.520 10.949 6.051 1.00 0.19 H HETATM 1100 CB ASP A 178 -7.900 8.004 5.991 1.00 -0.00 C HETATM 1101 CG ASP A 178 -9.418 7.866 6.181 1.00 0.00 C HETATM 1102 CD ASP A 178 -9.933 6.792 7.104 1.00 0.04 C HETATM 1103 OE1 ASP A 178 -9.121 6.073 7.715 1.00 -0.57 O HETATM 1104 OE2 ASP A 178 -11.195 6.682 7.179 1.00 -0.57 O HETATM 1105 H55 ASP A 178 -9.854 7.677 5.189 1.00 0.04 H HETATM 1106 H56 ASP A 178 -9.786 8.829 6.566 1.00 0.04 H HETATM 1107 H53 ASP A 178 -7.484 6.991 5.887 1.00 0.03 H HETATM 1108 H54 ASP A 178 -7.731 8.567 5.061 1.00 0.03 H HETATM 1109 H52 ASP A 178 -6.089 8.859 6.777 1.00 0.08 H HETATM 1110 H51 ASP A 178 -7.719 7.073 8.325 1.00 0.19 H HETATM 1111 CB ASP A 178 -7.483 8.140 11.507 1.00 -0.01 C HETATM 1112 CG ASP A 178 -8.087 7.323 12.642 1.00 -0.04 C HETATM 1113 CD ASP A 178 -8.915 8.203 13.553 1.00 -0.01 C HETATM 1114 CE ASP A 178 -9.628 7.458 14.621 1.00 -0.04 C HETATM 1115 NZ ASP A 178 -10.164 8.349 15.692 1.00 0.22 N HETATM 1116 H48 ASP A 178 -10.636 7.792 16.387 1.00 0.20 H HETATM 1117 H49 ASP A 178 -10.814 9.005 15.289 1.00 0.20 H HETATM 1118 H50 ASP A 178 -9.404 8.851 16.123 1.00 0.20 H HETATM 1119 H46 ASP A 178 -8.928 6.743 15.077 1.00 0.08 H HETATM 1120 H47 ASP A 178 -10.467 6.911 14.167 1.00 0.08 H HETATM 1121 H44 ASP A 178 -9.661 8.731 12.941 1.00 0.03 H HETATM 1122 H45 ASP A 178 -8.247 8.936 14.029 1.00 0.03 H HETATM 1123 H42 ASP A 178 -7.277 6.861 13.225 1.00 0.03 H HETATM 1124 H43 ASP A 178 -8.729 6.536 12.219 1.00 0.03 H HETATM 1125 H40 ASP A 178 -8.300 8.570 10.909 1.00 0.03 H HETATM 1126 H41 ASP A 178 -6.880 8.951 11.940 1.00 0.03 H HETATM 1127 H39 ASP A 178 -7.131 6.387 10.298 1.00 0.08 H HETATM 1128 H38 ASP A 178 -5.163 7.294 12.135 1.00 0.19 H HETATM 1129 CB ASP A 178 -2.020 6.482 11.057 1.00 -0.01 C HETATM 1130 CG1 ASP A 178 -2.294 7.941 10.817 1.00 -0.06 C HETATM 1131 H32 ASP A 178 -1.369 8.439 10.489 1.00 0.02 H HETATM 1132 H33 ASP A 178 -2.650 8.405 11.749 1.00 0.02 H HETATM 1133 H34 ASP A 178 -3.063 8.046 10.038 1.00 0.02 H HETATM 1134 CG2 ASP A 178 -0.917 6.304 12.148 1.00 -0.06 C HETATM 1135 H35 ASP A 178 -0.731 5.232 12.309 1.00 0.02 H HETATM 1136 H36 ASP A 178 -1.254 6.763 13.089 1.00 0.02 H HETATM 1137 H37 ASP A 178 0.011 6.791 11.814 1.00 0.02 H HETATM 1138 H31 ASP A 178 -1.666 6.042 10.113 1.00 0.03 H HETATM 1139 H30 ASP A 178 -3.486 5.994 12.566 1.00 0.08 H HETATM 1140 H29 ASP A 178 -2.187 3.942 10.998 1.00 0.19 H HETATM 1141 CB ASP A 178 -3.630 1.291 13.527 1.00 0.04 C HETATM 1142 CG ASP A 178 -2.873 1.991 14.648 1.00 0.04 C HETATM 1143 OD1 ASP A 178 -2.005 2.832 14.338 1.00 -0.57 O HETATM 1144 OD2 ASP A 178 -3.152 1.704 15.833 1.00 -0.57 O HETATM 1145 H27 ASP A 178 -3.301 0.242 13.486 1.00 0.05 H HETATM 1146 H28 ASP A 178 -4.705 1.329 13.756 1.00 0.05 H HETATM 1147 H26 ASP A 178 -4.093 1.436 11.442 1.00 0.08 H HETATM 1148 H25 ASP A 178 -1.250 1.736 12.268 1.00 0.19 H HETATM 1149 CB ASP A 178 -0.148 -0.556 10.404 1.00 -0.01 C HETATM 1150 CG ASP A 178 -1.124 -1.532 9.756 1.00 -0.04 C HETATM 1151 CD ASP A 178 -0.647 -2.959 9.748 1.00 -0.01 C HETATM 1152 CE ASP A 178 -0.064 -3.347 11.035 1.00 -0.04 C HETATM 1153 NZ ASP A 178 0.196 -4.808 11.094 1.00 0.22 N HETATM 1154 H22 ASP A 178 0.596 -5.042 11.989 1.00 0.20 H HETATM 1155 H23 ASP A 178 0.839 -5.065 10.361 1.00 0.20 H HETATM 1156 H24 ASP A 178 -0.670 -5.309 10.972 1.00 0.20 H HETATM 1157 H20 ASP A 178 -0.762 -3.075 11.841 1.00 0.08 H HETATM 1158 H21 ASP A 178 0.885 -2.809 11.175 1.00 0.08 H HETATM 1159 H18 ASP A 178 0.115 -3.075 8.963 1.00 0.03 H HETATM 1160 H19 ASP A 178 -1.500 -3.618 9.531 1.00 0.03 H HETATM 1161 H16 ASP A 178 -1.289 -1.217 8.715 1.00 0.03 H HETATM 1162 H17 ASP A 178 -2.075 -1.488 10.308 1.00 0.03 H HETATM 1163 H14 ASP A 178 -0.257 -0.630 11.496 1.00 0.03 H HETATM 1164 H15 ASP A 178 0.874 -0.845 10.117 1.00 0.03 H HETATM 1165 H13 ASP A 178 -0.279 0.962 8.900 1.00 0.08 H HETATM 1166 H12 ASP A 178 1.427 1.355 11.066 1.00 0.19 H HETATM 1167 CB ASP A 178 2.780 4.046 9.738 1.00 0.08 C HETATM 1168 OG ASP A 178 3.784 4.975 10.117 1.00 -0.39 O HETATM 1169 H11 ASP A 178 4.255 4.640 10.871 1.00 0.21 H HETATM 1170 H9 ASP A 178 2.233 4.432 8.865 1.00 0.06 H HETATM 1171 H10 ASP A 178 3.248 3.084 9.481 1.00 0.06 H HETATM 1172 H8 ASP A 178 1.456 4.836 11.239 1.00 0.08 H HETATM 1173 H7 ASP A 178 3.417 2.905 11.969 1.00 0.19 H HETATM 1174 CB ASP A 178 2.429 0.861 14.196 1.00 0.06 C HETATM 1175 CG ASP A 178 1.084 0.313 14.588 1.00 0.04 C HETATM 1176 OD1 ASP A 178 0.056 1.020 14.798 1.00 -0.57 O HETATM 1177 OD2 ASP A 178 1.118 -0.901 14.757 1.00 -0.57 O HETATM 1178 H5 ASP A 178 3.191 0.401 14.842 1.00 0.05 H HETATM 1179 H6 ASP A 178 2.622 0.586 13.149 1.00 0.05 H HETATM 1180 H4 ASP A 178 3.607 2.677 14.298 1.00 0.11 H HETATM 1181 H1 ASP A 178 2.412 2.452 16.357 1.00 0.20 H HETATM 1182 H2 ASP A 178 0.964 2.614 15.591 1.00 0.20 H HETATM 1183 H3 ASP A 178 2.024 3.873 15.622 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1010 1011 1181 1182 1183 CONECT 1011 1010 1012 1174 1180 CONECT 1012 1011 1013 1014 CONECT 1013 1012 CONECT 1014 1012 1015 1173 CONECT 1015 1014 1016 1167 1172 CONECT 1016 1015 1017 1018 CONECT 1017 1016 CONECT 1018 1016 1019 1166 CONECT 1019 1018 1020 1149 1165 CONECT 1020 1019 1021 1022 CONECT 1021 1020 CONECT 1022 1020 1023 1148 CONECT 1023 1022 1024 1141 1147 CONECT 1024 1023 1025 1026 CONECT 1025 1024 CONECT 1026 1024 1027 1140 CONECT 1027 1026 1028 1129 1139 CONECT 1028 1027 1029 1030 CONECT 1029 1028 CONECT 1030 1028 1031 1128 CONECT 1031 1030 1032 1111 1127 CONECT 1032 1031 1033 1034 CONECT 1033 1032 CONECT 1034 1032 1035 1110 CONECT 1035 1034 1036 1100 1109 CONECT 1036 1035 1037 1038 CONECT 1037 1036 CONECT 1038 1036 1039 1099 CONECT 1039 1038 1040 1080 1098 CONECT 1040 1039 1041 1042 CONECT 1041 1040 CONECT 1042 1040 1043 1079 CONECT 1043 1042 1044 1063 1078 CONECT 1044 1043 1045 1046 CONECT 1045 1044 CONECT 1046 1044 1047 1062 CONECT 1047 1046 1048 1051 1061 CONECT 1048 1047 1049 1050 CONECT 1049 1048 CONECT 1050 1048 CONECT 1051 1047 1052 1056 1060 CONECT 1052 1051 1053 1054 1055 CONECT 1053 1052 CONECT 1054 1052 CONECT 1055 1052 CONECT 1056 1051 1057 1058 1059 CONECT 1057 1056 CONECT 1058 1056 CONECT 1059 1056 CONECT 1060 1051 CONECT 1061 1047 CONECT 1062 1046 CONECT 1063 1043 1064 1076 1077 CONECT 1064 1063 1065 1069 CONECT 1065 1064 1066 1075 CONECT 1066 1065 1067 1074 CONECT 1067 1066 1068 1072 CONECT 1068 1067 1069 1071 CONECT 1069 1064 1068 1070 CONECT 1070 1069 CONECT 1071 1068 CONECT 1072 1067 1073 CONECT 1073 1072 CONECT 1074 1066 CONECT 1075 1065 CONECT 1076 1063 CONECT 1077 1063 CONECT 1078 1043 CONECT 1079 1042 CONECT 1080 1039 1081 1096 1097 CONECT 1081 1080 1082 1085 CONECT 1082 1081 1083 1095 CONECT 1083 1082 1084 1094 CONECT 1084 1083 1085 1089 CONECT 1085 1081 1084 1086 CONECT 1086 1085 1087 1093 CONECT 1087 1086 1088 1092 CONECT 1088 1087 1089 1091 CONECT 1089 1084 1088 1090 CONECT 1090 1089 CONECT 1091 1088 CONECT 1092 1087 CONECT 1093 1086 CONECT 1094 1083 CONECT 1095 1082 CONECT 1096 1080 CONECT 1097 1080 CONECT 1098 1039 CONECT 1099 1038 CONECT 1100 1035 1101 1107 1108 CONECT 1101 1100 1102 1105 1106 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 CONECT 1105 1101 CONECT 1106 1101 CONECT 1107 1100 CONECT 1108 1100 CONECT 1109 1035 CONECT 1110 1034 CONECT 1111 1031 1112 1125 1126 CONECT 1112 1111 1113 1123 1124 CONECT 1113 1112 1114 1121 1122 CONECT 1114 1113 1115 1119 1120 CONECT 1115 1114 1116 1117 1118 CONECT 1116 1115 CONECT 1117 1115 CONECT 1118 1115 CONECT 1119 1114 CONECT 1120 1114 CONECT 1121 1113 CONECT 1122 1113 CONECT 1123 1112 CONECT 1124 1112 CONECT 1125 1111 CONECT 1126 1111 CONECT 1127 1031 CONECT 1128 1030 CONECT 1129 1027 1130 1134 1138 CONECT 1130 1129 1131 1132 1133 CONECT 1131 1130 CONECT 1132 1130 CONECT 1133 1130 CONECT 1134 1129 1135 1136 1137 CONECT 1135 1134 CONECT 1136 1134 CONECT 1137 1134 CONECT 1138 1129 CONECT 1139 1027 CONECT 1140 1026 CONECT 1141 1023 1142 1145 1146 CONECT 1142 1141 1143 1144 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1141 CONECT 1146 1141 CONECT 1147 1023 CONECT 1148 1022 CONECT 1149 1019 1150 1163 1164 CONECT 1150 1149 1151 1161 1162 CONECT 1151 1150 1152 1159 1160 CONECT 1152 1151 1153 1157 1158 CONECT 1153 1152 1154 1155 1156 CONECT 1154 1153 CONECT 1155 1153 CONECT 1156 1153 CONECT 1157 1152 CONECT 1158 1152 CONECT 1159 1151 CONECT 1160 1151 CONECT 1161 1150 CONECT 1162 1150 CONECT 1163 1149 CONECT 1164 1149 CONECT 1165 1019 CONECT 1166 1018 CONECT 1167 1015 1168 1170 1171 CONECT 1168 1167 1169 CONECT 1169 1168 CONECT 1170 1167 CONECT 1171 1167 CONECT 1172 1015 CONECT 1173 1014 CONECT 1174 1011 1175 1178 1179 CONECT 1175 1174 1176 1177 CONECT 1176 1175 CONECT 1177 1175 CONECT 1178 1174 CONECT 1179 1174 CONECT 1180 1011 CONECT 1181 1010 CONECT 1182 1010 CONECT 1183 1010 MASTER 0 0 0 0 0 0 0 0 1182 1 178 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4xhv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
4xhv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Drosophila Spinophilin-PDZ
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.23(Å)
Affinity (Kd/Ki/IC50)
Kd=50uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Nat Commun Vol. 6: pp. 8362-8362
Ligand Properties
Formula
C
5
8
H
8
8
N
1
3
O
1
9
Molecular Weight
1271.400
Exact Mass
1270.630
No. of atoms
178
No. of bonds
180
Polar Surface Area
550.27
LOGP Value
-3.52 (
Computed with XLOGP3
)
-1.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CO)CCCC[NH3+])CC(=O)O
InChI String
InChI=1S/C58H85N13O19/c1-29(2)47(70-55(86)42(26-46(78)79)68-51(82)37(13-7-9-21-59)63-56(87)43(28-72)69-49(80)35(61)25-45(76)77)57(88)65-38(14-8-10-22-60)50(81)64-39(19-20-44(74)75)52(83)67-41(24-32-27-62-36-12-6-5-11-34(32)36)53(84)66-40(23-31-15-17-33(73)18-16-31)54(85)71-48(30(3)4)58(89)90/h5-6,11-12,15-18,27,29-30,35,37-43,47-48,62,72-73H,7-10,13-14,19-26,28,59-61H2,1-4H3,(H,63,87)(H,64,81)(H,65,88)(H,66,84)(H,67,83)(H,68,82)(H,69,80)(H,70,86)(H,71,85)(H,74,75)(H,76,77)(H,78,79)(H,89,90)/p+3/t35-,37-,38-,39-,40-,41-,42-,43-,47-,48-/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):
M9NFI9
Q3KN41
Entrez Gene ID
NCBI Entrez Gene ID:
46194
42646
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com