Browse entries in the PDBbind-CN Database
HEADER 3SHB_COMPLEX COMPND 3SHB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 67 SER GLY PRO SER CYS LYS HIS CYS LYS ASP ASP VAL ASN SEQRES 2 A 67 ARG LEU CYS ARG VAL CYS ALA CYS HIS LEU CYS GLY GLY SEQRES 3 A 67 ARG GLN ASP PRO ASP LYS GLN LEU MET CYS ASP GLU CYS SEQRES 4 A 67 ASP MET ALA PHE HIS ILE TYR CYS LEU ASP PRO PRO LEU SEQRES 5 A 67 SER SER VAL PRO SER GLU ASP GLU TRP TYR CYS PRO GLU SEQRES 6 A 67 CYS ARG HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 138 114 ATOM 1 N SER A 311 -32.261 3.259 4.804 1.00 56.77 N ATOM 2 CA SER A 311 -31.250 3.253 3.751 1.00 60.99 C ATOM 3 C SER A 311 -30.009 2.397 4.080 1.00 61.88 C ATOM 4 O SER A 311 -29.195 2.135 3.185 1.00 61.94 O ATOM 5 CB SER A 311 -30.823 4.682 3.409 1.00 60.96 C ATOM 6 OG SER A 311 -30.038 5.247 4.447 1.00 61.66 O ATOM 7 HA SER A 311 -31.725 2.787 2.887 1.00 0.00 H ATOM 8 HB2 SER A 311 -31.713 5.294 3.263 1.00 0.00 H ATOM 9 HB3 SER A 311 -30.239 4.668 2.489 1.00 0.00 H ATOM 10 HG SER A 311 -29.778 6.169 4.198 1.00 0.00 H ATOM 11 HN3 SER A 311 -31.847 3.640 5.679 1.00 0.00 H ATOM 12 HN2 SER A 311 -32.592 2.287 4.971 1.00 0.00 H ATOM 13 HN1 SER A 311 -33.062 3.854 4.511 1.00 0.00 H ATOM 14 N GLY A 312 -29.869 1.970 5.342 1.00 55.54 N ATOM 15 CA GLY A 312 -28.730 1.162 5.788 1.00 52.58 C ATOM 16 C GLY A 312 -28.728 -0.186 5.088 1.00 56.26 C ATOM 17 O GLY A 312 -29.735 -0.547 4.465 1.00 60.75 O ATOM 18 HA3 GLY A 312 -28.799 1.007 6.865 1.00 0.00 H ATOM 19 HA2 GLY A 312 -27.804 1.688 5.557 1.00 0.00 H ATOM 20 H GLY A 312 -30.601 2.223 6.036 1.00 0.00 H ATOM 21 N PRO A 313 -27.616 -0.951 5.185 1.00 55.28 N ATOM 22 CA PRO A 313 -26.432 -0.692 6.009 1.00 51.89 C ATOM 23 C PRO A 313 -25.479 0.293 5.334 1.00 49.21 C ATOM 24 O PRO A 313 -25.529 0.467 4.122 1.00 52.27 O ATOM 25 CB PRO A 313 -25.782 -2.068 6.070 1.00 47.08 C ATOM 26 CG PRO A 313 -25.965 -2.568 4.651 1.00 51.01 C ATOM 27 CD PRO A 313 -27.375 -2.086 4.264 1.00 54.54 C ATOM 28 HA PRO A 313 -26.676 -0.255 6.977 1.00 0.00 H ATOM 29 HD3 PRO A 313 -27.404 -1.758 3.225 1.00 0.00 H ATOM 30 HD2 PRO A 313 -28.112 -2.875 4.415 1.00 0.00 H ATOM 31 HG3 PRO A 313 -25.903 -3.656 4.612 1.00 0.00 H ATOM 32 HG2 PRO A 313 -25.213 -2.139 3.989 1.00 0.00 H ATOM 33 HB2 PRO A 313 -24.726 -1.996 6.332 1.00 0.00 H ATOM 34 HB3 PRO A 313 -26.289 -2.714 6.786 1.00 0.00 H ATOM 35 N SER A 314 -24.606 0.921 6.110 1.00 50.24 N ATOM 36 CA SER A 314 -23.688 1.900 5.532 1.00 49.83 C ATOM 37 C SER A 314 -22.612 1.273 4.638 1.00 47.35 C ATOM 38 O SER A 314 -22.100 1.932 3.733 1.00 48.57 O ATOM 39 CB SER A 314 -23.078 2.809 6.613 1.00 51.46 C ATOM 40 OG SER A 314 -22.602 2.083 7.743 1.00 54.62 O ATOM 41 HA SER A 314 -24.290 2.525 4.872 1.00 0.00 H ATOM 42 HB2 SER A 314 -23.840 3.513 6.947 1.00 0.00 H ATOM 43 HB3 SER A 314 -22.244 3.359 6.176 1.00 0.00 H ATOM 44 HG SER A 314 -23.353 1.586 8.154 1.00 0.00 H ATOM 45 H SER A 314 -24.575 0.717 7.129 1.00 0.00 H ATOM 46 N CYS A 315 -22.276 0.006 4.886 1.00 44.88 N ATOM 47 CA CYS A 315 -21.268 -0.698 4.095 1.00 42.83 C ATOM 48 C CYS A 315 -21.804 -1.988 3.501 1.00 42.33 C ATOM 49 O CYS A 315 -22.259 -2.869 4.222 1.00 41.67 O ATOM 50 CB CYS A 315 -20.019 -1.023 4.926 1.00 40.32 C ATOM 51 SG CYS A 315 -18.716 -1.856 3.954 1.00 35.75 S ATOM 52 HA CYS A 315 -21.000 -0.019 3.286 1.00 0.00 H ATOM 53 HB2 CYS A 315 -20.309 -1.675 5.750 1.00 0.00 H ATOM 54 HB3 CYS A 315 -19.615 -0.093 5.325 1.00 0.00 H ATOM 55 HG CYS A 315 -17.631 -2.114 4.767 1.00 0.00 H ATOM 56 H CYS A 315 -22.746 -0.496 5.666 1.00 0.00 H ATOM 57 N LYS A 316 -21.719 -2.106 2.185 1.00 40.12 N ATOM 58 CA LYS A 316 -22.292 -3.249 1.488 1.00 44.15 C ATOM 59 C LYS A 316 -21.354 -4.445 1.473 1.00 42.71 C ATOM 60 O LYS A 316 -21.737 -5.546 1.058 1.00 42.92 O ATOM 61 CB LYS A 316 -22.652 -2.859 0.047 1.00 44.87 C ATOM 62 CG LYS A 316 -23.754 -1.821 -0.047 1.00 45.10 C ATOM 63 CD LYS A 316 -25.091 -2.459 -0.339 1.00 53.16 C ATOM 64 CE LYS A 316 -25.119 -3.095 -1.743 1.00 52.12 C ATOM 65 NZ LYS A 316 -26.457 -2.974 -2.416 1.00 56.65 N ATOM 66 HA LYS A 316 -23.191 -3.541 2.032 1.00 0.00 H ATOM 67 HB2 LYS A 316 -21.760 -2.459 -0.434 1.00 0.00 H ATOM 68 HB3 LYS A 316 -22.977 -3.755 -0.481 1.00 0.00 H ATOM 69 HG2 LYS A 316 -23.817 -1.284 0.899 1.00 0.00 H ATOM 70 HG3 LYS A 316 -23.514 -1.120 -0.846 1.00 0.00 H ATOM 71 HD2 LYS A 316 -25.285 -3.232 0.404 1.00 0.00 H ATOM 72 HD3 LYS A 316 -25.868 -1.697 -0.280 1.00 0.00 H ATOM 73 HE2 LYS A 316 -24.871 -4.152 -1.651 1.00 0.00 H ATOM 74 HE3 LYS A 316 -24.372 -2.600 -2.364 1.00 0.00 H ATOM 75 HZ1 LYS A 316 -27.179 -3.451 -1.838 1.00 0.00 H ATOM 76 HZ2 LYS A 316 -26.702 -1.969 -2.519 1.00 0.00 H ATOM 77 HZ3 LYS A 316 -26.413 -3.419 -3.355 1.00 0.00 H ATOM 78 H LYS A 316 -21.233 -1.367 1.638 1.00 0.00 H ATOM 79 N HIS A 317 -20.114 -4.233 1.901 1.00 39.98 N ATOM 80 CA HIS A 317 -19.130 -5.307 1.903 1.00 36.72 C ATOM 81 C HIS A 317 -19.340 -6.225 3.109 1.00 40.82 C ATOM 82 O HIS A 317 -19.252 -7.439 2.998 1.00 37.56 O ATOM 83 CB HIS A 317 -17.723 -4.720 1.929 1.00 37.55 C ATOM 84 CG HIS A 317 -17.335 -4.060 0.639 1.00 34.30 C ATOM 85 ND1 HIS A 317 -16.584 -4.703 -0.319 1.00 38.84 N ATOM 86 CD2 HIS A 317 -17.620 -2.835 0.141 1.00 40.04 C ATOM 87 CE1 HIS A 317 -16.414 -3.898 -1.356 1.00 38.25 C ATOM 88 NE2 HIS A 317 -17.032 -2.759 -1.107 1.00 40.78 N ATOM 89 HA HIS A 317 -19.254 -5.897 0.995 1.00 0.00 H ATOM 90 HB2 HIS A 317 -17.671 -3.979 2.727 1.00 0.00 H ATOM 91 HB3 HIS A 317 -17.016 -5.524 2.134 1.00 0.00 H ATOM 92 HD2 HIS A 317 -18.203 -2.055 0.631 1.00 0.00 H ATOM 93 HE1 HIS A 317 -15.857 -4.136 -2.263 1.00 0.00 H ATOM 94 H HIS A 317 -19.842 -3.288 2.239 1.00 0.00 H ATOM 95 N CYS A 318 -19.629 -5.630 4.253 1.00 35.84 N ATOM 96 CA CYS A 318 -19.806 -6.419 5.462 1.00 39.83 C ATOM 97 C CYS A 318 -21.240 -6.389 5.997 1.00 41.34 C ATOM 98 O CYS A 318 -21.555 -7.080 6.987 1.00 36.80 O ATOM 99 CB CYS A 318 -18.856 -5.888 6.533 1.00 32.18 C ATOM 100 SG CYS A 318 -19.259 -4.223 7.060 1.00 33.36 S ATOM 101 HA CYS A 318 -19.586 -7.457 5.211 1.00 0.00 H ATOM 102 HB2 CYS A 318 -17.843 -5.890 6.131 1.00 0.00 H ATOM 103 HB3 CYS A 318 -18.904 -6.548 7.399 1.00 0.00 H ATOM 104 HG CYS A 318 -19.191 -3.370 5.977 1.00 0.00 H ATOM 105 H CYS A 318 -19.730 -4.596 4.289 1.00 0.00 H ATOM 106 N LYS A 319 -22.092 -5.582 5.358 1.00 40.72 N ATOM 107 CA LYS A 319 -23.447 -5.293 5.846 1.00 39.06 C ATOM 108 C LYS A 319 -23.475 -4.776 7.287 1.00 43.92 C ATOM 109 O LYS A 319 -24.397 -5.093 8.061 1.00 41.53 O ATOM 110 CB LYS A 319 -24.338 -6.528 5.708 1.00 40.05 C ATOM 111 CG LYS A 319 -24.451 -6.996 4.281 1.00 43.83 C ATOM 112 CD LYS A 319 -24.950 -8.426 4.159 1.00 49.65 C ATOM 113 CE LYS A 319 -24.822 -8.916 2.705 1.00 50.87 C ATOM 114 NZ LYS A 319 -25.321 -10.300 2.485 1.00 51.36 N ATOM 115 HA LYS A 319 -23.835 -4.489 5.221 1.00 0.00 H ATOM 116 HB2 LYS A 319 -23.916 -7.334 6.309 1.00 0.00 H ATOM 117 HB3 LYS A 319 -25.334 -6.285 6.077 1.00 0.00 H ATOM 118 HG2 LYS A 319 -25.145 -6.340 3.755 1.00 0.00 H ATOM 119 HG3 LYS A 319 -23.468 -6.931 3.816 1.00 0.00 H ATOM 120 HD2 LYS A 319 -24.358 -9.070 4.809 1.00 0.00 H ATOM 121 HD3 LYS A 319 -25.996 -8.469 4.462 1.00 0.00 H ATOM 122 HE2 LYS A 319 -23.770 -8.882 2.423 1.00 0.00 H ATOM 123 HE3 LYS A 319 -25.390 -8.241 2.065 1.00 0.00 H ATOM 124 HZ1 LYS A 319 -24.781 -10.960 3.080 1.00 0.00 H ATOM 125 HZ2 LYS A 319 -26.329 -10.348 2.738 1.00 0.00 H ATOM 126 HZ3 LYS A 319 -25.201 -10.556 1.484 1.00 0.00 H ATOM 127 H LYS A 319 -21.780 -5.137 4.471 1.00 0.00 H ATOM 128 N ASP A 320 -22.465 -3.991 7.653 1.00 39.51 N ATOM 129 CA ASP A 320 -22.364 -3.486 9.010 1.00 41.70 C ATOM 130 C ASP A 320 -22.345 -4.581 10.074 1.00 40.15 C ATOM 131 O ASP A 320 -22.612 -4.303 11.244 1.00 42.46 O ATOM 132 CB ASP A 320 -23.520 -2.534 9.308 1.00 43.71 C ATOM 133 CG ASP A 320 -23.505 -1.318 8.431 1.00 48.67 C ATOM 134 OD1 ASP A 320 -22.607 -1.226 7.549 1.00 47.90 O ATOM 135 OD2 ASP A 320 -24.401 -0.462 8.622 1.00 48.67 O ATOM 136 HA ASP A 320 -21.407 -2.967 9.060 1.00 0.00 H ATOM 137 HB2 ASP A 320 -24.459 -3.065 9.153 1.00 0.00 H ATOM 138 HB3 ASP A 320 -23.451 -2.216 10.348 1.00 0.00 H ATOM 139 H ASP A 320 -21.737 -3.735 6.956 1.00 0.00 H ATOM 140 N ASP A 321 -22.024 -5.814 9.702 1.00 38.36 N ATOM 141 CA ASP A 321 -21.865 -6.855 10.728 1.00 38.02 C ATOM 142 C ASP A 321 -20.661 -6.568 11.633 1.00 36.40 C ATOM 143 O ASP A 321 -19.508 -6.706 11.237 1.00 33.47 O ATOM 144 CB ASP A 321 -21.763 -8.245 10.095 1.00 37.72 C ATOM 145 CG ASP A 321 -21.650 -9.363 11.136 1.00 38.37 C ATOM 146 OD1 ASP A 321 -21.684 -9.055 12.358 1.00 36.99 O ATOM 147 OD2 ASP A 321 -21.509 -10.540 10.726 1.00 36.42 O ATOM 148 HA ASP A 321 -22.758 -6.840 11.353 1.00 0.00 H ATOM 149 HB2 ASP A 321 -22.653 -8.419 9.491 1.00 0.00 H ATOM 150 HB3 ASP A 321 -20.881 -8.273 9.456 1.00 0.00 H ATOM 151 H ASP A 321 -21.887 -6.041 8.696 1.00 0.00 H ATOM 152 N VAL A 322 -20.931 -6.175 12.869 1.00 35.28 N ATOM 153 CA VAL A 322 -19.865 -5.765 13.759 1.00 36.15 C ATOM 154 C VAL A 322 -18.970 -6.932 14.151 1.00 34.72 C ATOM 155 O VAL A 322 -17.874 -6.745 14.658 1.00 34.64 O ATOM 156 CB VAL A 322 -20.420 -5.081 15.026 1.00 39.16 C ATOM 157 CG1 VAL A 322 -21.146 -6.088 15.893 1.00 38.67 C ATOM 158 CG2 VAL A 322 -19.288 -4.455 15.820 1.00 46.88 C ATOM 159 HA VAL A 322 -19.261 -5.044 13.208 1.00 0.00 H ATOM 160 HB VAL A 322 -21.120 -4.303 14.719 1.00 0.00 H ATOM 161 HG11 VAL A 322 -21.973 -6.520 15.330 1.00 0.00 H ATOM 162 HG12 VAL A 322 -20.454 -6.877 16.188 1.00 0.00 H ATOM 163 HG13 VAL A 322 -21.531 -5.589 16.782 1.00 0.00 H ATOM 164 HG21 VAL A 322 -18.579 -5.230 16.113 1.00 0.00 H ATOM 165 HG22 VAL A 322 -18.782 -3.712 15.204 1.00 0.00 H ATOM 166 HG23 VAL A 322 -19.693 -3.976 16.711 1.00 0.00 H ATOM 167 H VAL A 322 -21.916 -6.161 13.203 1.00 0.00 H ATOM 168 N ASN A 323 -19.439 -8.149 13.912 1.00 36.91 N ATOM 169 CA ASN A 323 -18.627 -9.323 14.209 1.00 38.89 C ATOM 170 C ASN A 323 -17.805 -9.811 13.040 1.00 38.20 C ATOM 171 O ASN A 323 -17.100 -10.804 13.136 1.00 37.42 O ATOM 172 CB ASN A 323 -19.490 -10.447 14.776 1.00 40.00 C ATOM 173 CG ASN A 323 -19.996 -10.113 16.130 1.00 41.96 C ATOM 174 OD1 ASN A 323 -19.210 -9.839 17.042 1.00 44.41 O ATOM 175 ND2 ASN A 323 -21.305 -10.071 16.275 1.00 41.88 N ATOM 176 HA ASN A 323 -17.907 -9.006 14.964 1.00 0.00 H ATOM 177 HB2 ASN A 323 -20.338 -10.613 14.111 1.00 0.00 H ATOM 178 HB3 ASN A 323 -18.893 -11.357 14.835 1.00 0.00 H ATOM 179 HD22 ASN A 323 -21.925 -10.311 15.475 1.00 0.00 H ATOM 180 HD21 ASN A 323 -21.718 -9.798 17.189 1.00 0.00 H ATOM 181 H ASN A 323 -20.391 -8.267 13.511 1.00 0.00 H ATOM 182 N ARG A 324 -17.885 -9.091 11.931 1.00 35.25 N ATOM 183 CA ARG A 324 -17.097 -9.420 10.768 1.00 33.35 C ATOM 184 C ARG A 324 -16.005 -8.348 10.586 1.00 34.57 C ATOM 185 O ARG A 324 -16.265 -7.157 10.750 1.00 34.57 O ATOM 186 CB ARG A 324 -18.031 -9.450 9.559 1.00 34.37 C ATOM 187 CG ARG A 324 -17.422 -9.925 8.292 1.00 38.09 C ATOM 188 CD ARG A 324 -18.427 -9.703 7.165 1.00 43.07 C ATOM 189 NE ARG A 324 -17.967 -10.139 5.843 1.00 50.01 N ATOM 190 CZ ARG A 324 -17.041 -9.527 5.094 1.00 50.15 C ATOM 191 NH1 ARG A 324 -16.393 -8.440 5.530 1.00 43.87 N ATOM 192 NH2 ARG A 324 -16.739 -10.031 3.894 1.00 48.60 N ATOM 193 HA ARG A 324 -16.615 -10.391 10.879 1.00 0.00 H ATOM 194 HB2 ARG A 324 -18.867 -10.107 9.797 1.00 0.00 H ATOM 195 HB3 ARG A 324 -18.401 -8.438 9.395 1.00 0.00 H ATOM 196 HG2 ARG A 324 -16.510 -9.365 8.088 1.00 0.00 H ATOM 197 HG3 ARG A 324 -17.185 -10.986 8.371 1.00 0.00 H ATOM 198 HD2 ARG A 324 -18.650 -8.637 7.113 1.00 0.00 H ATOM 199 HD3 ARG A 324 -19.337 -10.252 7.407 1.00 0.00 H ATOM 200 HE ARG A 324 -18.398 -11.001 5.452 1.00 0.00 H ATOM 201 HH12 ARG A 324 -15.678 -7.984 4.928 1.00 0.00 H ATOM 202 HH11 ARG A 324 -16.604 -8.051 6.471 1.00 0.00 H ATOM 203 HH22 ARG A 324 -16.022 -9.567 3.301 1.00 0.00 H ATOM 204 HH21 ARG A 324 -17.221 -10.887 3.553 1.00 0.00 H ATOM 205 H ARG A 324 -18.527 -8.274 11.898 1.00 0.00 H ATOM 206 N LEU A 325 -14.786 -8.767 10.264 1.00 30.72 N ATOM 207 CA LEU A 325 -13.723 -7.824 9.925 1.00 30.04 C ATOM 208 C LEU A 325 -14.074 -7.160 8.584 1.00 32.57 C ATOM 209 O LEU A 325 -14.704 -7.785 7.719 1.00 33.01 O ATOM 210 CB LEU A 325 -12.402 -8.558 9.784 1.00 30.76 C ATOM 211 CG LEU A 325 -11.887 -9.157 11.094 1.00 34.07 C ATOM 212 CD1 LEU A 325 -10.630 -9.918 10.789 1.00 36.14 C ATOM 213 CD2 LEU A 325 -11.634 -8.048 12.104 1.00 32.25 C ATOM 214 HA LEU A 325 -13.631 -7.076 10.712 1.00 0.00 H ATOM 215 HB2 LEU A 325 -12.532 -9.366 9.064 1.00 0.00 H ATOM 216 HB3 LEU A 325 -11.657 -7.856 9.410 1.00 0.00 H ATOM 217 HG LEU A 325 -12.622 -9.833 11.530 1.00 0.00 H ATOM 218 HD21 LEU A 325 -10.890 -7.358 11.706 1.00 0.00 H ATOM 219 HD22 LEU A 325 -12.564 -7.512 12.293 1.00 0.00 H ATOM 220 HD23 LEU A 325 -11.267 -8.482 13.034 1.00 0.00 H ATOM 221 HD11 LEU A 325 -10.851 -10.709 10.072 1.00 0.00 H ATOM 222 HD12 LEU A 325 -9.889 -9.239 10.366 1.00 0.00 H ATOM 223 HD13 LEU A 325 -10.240 -10.357 11.708 1.00 0.00 H ATOM 224 H LEU A 325 -14.584 -9.787 10.253 1.00 0.00 H ATOM 225 N CYS A 326 -13.679 -5.905 8.404 1.00 29.99 N ATOM 226 CA CYS A 326 -13.915 -5.253 7.117 1.00 29.04 C ATOM 227 C CYS A 326 -12.898 -4.161 6.847 1.00 27.22 C ATOM 228 O CYS A 326 -12.821 -3.180 7.578 1.00 27.27 O ATOM 229 CB CYS A 326 -15.342 -4.708 7.015 1.00 30.29 C ATOM 230 SG CYS A 326 -15.675 -3.989 5.353 1.00 30.90 S ATOM 231 HA CYS A 326 -13.794 -6.016 6.348 1.00 0.00 H ATOM 232 HB2 CYS A 326 -15.480 -3.934 7.770 1.00 0.00 H ATOM 233 HB3 CYS A 326 -16.045 -5.521 7.197 1.00 0.00 H ATOM 234 HG CYS A 326 -15.510 -4.964 4.390 1.00 0.00 H ATOM 235 H CYS A 326 -13.205 -5.390 9.173 1.00 0.00 H ATOM 236 N ARG A 327 -12.100 -4.353 5.801 1.00 26.91 N ATOM 237 CA ARG A 327 -11.070 -3.382 5.457 1.00 28.47 C ATOM 238 C ARG A 327 -11.653 -2.201 4.657 1.00 30.16 C ATOM 239 O ARG A 327 -10.958 -1.228 4.373 1.00 28.42 O ATOM 240 CB ARG A 327 -9.882 -4.088 4.755 1.00 27.18 C ATOM 241 CG ARG A 327 -9.144 -5.038 5.747 1.00 31.54 C ATOM 242 CD ARG A 327 -8.288 -6.094 5.067 1.00 31.17 C ATOM 243 NE ARG A 327 -7.222 -5.517 4.258 1.00 32.43 N ATOM 244 CZ ARG A 327 -6.425 -6.260 3.486 1.00 35.13 C ATOM 245 NH1 ARG A 327 -6.603 -7.571 3.453 1.00 35.90 N ATOM 246 NH2 ARG A 327 -5.468 -5.705 2.752 1.00 33.74 N ATOM 247 HA ARG A 327 -10.674 -2.940 6.371 1.00 0.00 H ATOM 248 HB2 ARG A 327 -10.257 -4.670 3.913 1.00 0.00 H ATOM 249 HB3 ARG A 327 -9.182 -3.336 4.391 1.00 0.00 H ATOM 250 HG2 ARG A 327 -8.501 -4.434 6.387 1.00 0.00 H ATOM 251 HG3 ARG A 327 -9.891 -5.543 6.359 1.00 0.00 H ATOM 252 HD2 ARG A 327 -8.926 -6.699 4.423 1.00 0.00 H ATOM 253 HD3 ARG A 327 -7.841 -6.728 5.833 1.00 0.00 H ATOM 254 HE ARG A 327 -7.076 -4.488 4.283 1.00 0.00 H ATOM 255 HH12 ARG A 327 -5.991 -8.164 2.857 1.00 0.00 H ATOM 256 HH11 ARG A 327 -7.355 -8.008 4.023 1.00 0.00 H ATOM 257 HH22 ARG A 327 -4.857 -6.301 2.157 1.00 0.00 H ATOM 258 HH21 ARG A 327 -5.329 -4.675 2.772 1.00 0.00 H ATOM 259 H ARG A 327 -12.213 -5.208 5.220 1.00 0.00 H ATOM 260 N VAL A 328 -12.947 -2.252 4.345 1.00 30.11 N ATOM 261 CA VAL A 328 -13.563 -1.143 3.594 1.00 28.87 C ATOM 262 C VAL A 328 -14.124 -0.087 4.525 1.00 32.00 C ATOM 263 O VAL A 328 -13.915 1.104 4.310 1.00 31.54 O ATOM 264 CB VAL A 328 -14.641 -1.615 2.617 1.00 32.11 C ATOM 265 CG1 VAL A 328 -15.343 -0.413 1.973 1.00 33.80 C ATOM 266 CG2 VAL A 328 -14.017 -2.504 1.559 1.00 31.41 C ATOM 267 HA VAL A 328 -12.762 -0.699 3.003 1.00 0.00 H ATOM 268 HB VAL A 328 -15.390 -2.190 3.161 1.00 0.00 H ATOM 269 HG11 VAL A 328 -15.808 0.193 2.750 1.00 0.00 H ATOM 270 HG12 VAL A 328 -14.611 0.187 1.432 1.00 0.00 H ATOM 271 HG13 VAL A 328 -16.107 -0.768 1.281 1.00 0.00 H ATOM 272 HG21 VAL A 328 -13.257 -1.942 1.016 1.00 0.00 H ATOM 273 HG22 VAL A 328 -13.558 -3.369 2.038 1.00 0.00 H ATOM 274 HG23 VAL A 328 -14.789 -2.838 0.865 1.00 0.00 H ATOM 275 H VAL A 328 -13.521 -3.071 4.630 1.00 0.00 H ATOM 276 N CYS A 329 -14.814 -0.514 5.583 1.00 29.28 N ATOM 277 CA CYS A 329 -15.360 0.468 6.519 1.00 32.84 C ATOM 278 C CYS A 329 -14.665 0.499 7.884 1.00 31.42 C ATOM 279 O CYS A 329 -14.918 1.404 8.681 1.00 35.75 O ATOM 280 CB CYS A 329 -16.868 0.289 6.689 1.00 34.69 C ATOM 281 SG CYS A 329 -17.328 -1.263 7.530 1.00 36.66 S ATOM 282 HA CYS A 329 -15.158 1.437 6.062 1.00 0.00 H ATOM 283 HB2 CYS A 329 -17.330 0.296 5.702 1.00 0.00 H ATOM 284 HB3 CYS A 329 -17.251 1.125 7.274 1.00 0.00 H ATOM 285 HG CYS A 329 -18.702 -1.336 7.638 1.00 0.00 H ATOM 286 H CYS A 329 -14.962 -1.531 5.740 1.00 0.00 H ATOM 287 N ALA A 330 -13.801 -0.472 8.165 1.00 26.00 N ATOM 288 CA ALA A 330 -13.029 -0.443 9.404 1.00 28.95 C ATOM 289 C ALA A 330 -11.545 -0.346 9.082 1.00 28.27 C ATOM 290 O ALA A 330 -11.194 0.156 8.005 1.00 28.56 O ATOM 291 CB ALA A 330 -13.364 -1.668 10.286 1.00 30.10 C ATOM 292 HA ALA A 330 -13.300 0.440 9.982 1.00 0.00 H ATOM 293 HB1 ALA A 330 -14.426 -1.658 10.532 1.00 0.00 H ATOM 294 HB2 ALA A 330 -13.124 -2.582 9.742 1.00 0.00 H ATOM 295 HB3 ALA A 330 -12.777 -1.625 11.203 1.00 0.00 H ATOM 296 H ALA A 330 -13.674 -1.259 7.497 1.00 0.00 H ATOM 297 N CYS A 331 -10.647 -0.777 9.971 1.00 26.95 N ATOM 298 CA CYS A 331 -9.226 -0.595 9.665 1.00 25.63 C ATOM 299 C CYS A 331 -8.857 -1.209 8.316 1.00 27.09 C ATOM 300 O CYS A 331 -9.090 -2.385 8.062 1.00 27.31 O ATOM 301 CB CYS A 331 -8.275 -1.131 10.763 1.00 27.08 C ATOM 302 SG CYS A 331 -6.509 -0.916 10.328 1.00 28.14 S ATOM 303 HA CYS A 331 -9.085 0.485 9.622 1.00 0.00 H ATOM 304 HB2 CYS A 331 -8.473 -2.193 10.909 1.00 0.00 H ATOM 305 HB3 CYS A 331 -8.475 -0.595 11.691 1.00 0.00 H ATOM 306 HG CYS A 331 -5.722 -1.413 11.347 1.00 0.00 H ATOM 307 H CYS A 331 -10.948 -1.230 10.857 1.00 0.00 H ATOM 308 N HIS A 332 -8.286 -0.389 7.441 1.00 28.06 N ATOM 309 CA HIS A 332 -8.079 -0.808 6.055 1.00 27.60 C ATOM 310 C HIS A 332 -6.939 -1.814 5.977 1.00 29.46 C ATOM 311 O HIS A 332 -6.743 -2.511 4.956 1.00 29.68 O ATOM 312 CB HIS A 332 -7.768 0.430 5.193 1.00 27.96 C ATOM 313 CG HIS A 332 -7.657 0.133 3.727 1.00 29.41 C ATOM 314 ND1 HIS A 332 -8.692 -0.425 3.009 1.00 27.98 N ATOM 315 CD2 HIS A 332 -6.647 0.330 2.842 1.00 31.64 C ATOM 316 CE1 HIS A 332 -8.323 -0.571 1.748 1.00 29.26 C ATOM 317 NE2 HIS A 332 -7.085 -0.137 1.622 1.00 30.30 N ATOM 318 HA HIS A 332 -8.983 -1.288 5.679 1.00 0.00 H ATOM 319 HB2 HIS A 332 -8.566 1.159 5.337 1.00 0.00 H ATOM 320 HB3 HIS A 332 -6.823 0.856 5.530 1.00 0.00 H ATOM 321 HD2 HIS A 332 -5.674 0.773 3.056 1.00 0.00 H ATOM 322 HE1 HIS A 332 -8.939 -0.981 0.948 1.00 0.00 H ATOM 323 H HIS A 332 -7.984 0.559 7.744 1.00 0.00 H ATOM 324 N LEU A 333 -6.167 -1.880 7.061 1.00 29.48 N ATOM 325 CA LEU A 333 -5.052 -2.807 7.161 1.00 30.60 C ATOM 326 C LEU A 333 -5.473 -4.135 7.799 1.00 29.91 C ATOM 327 O LEU A 333 -5.283 -5.197 7.212 1.00 32.85 O ATOM 328 CB LEU A 333 -3.881 -2.155 7.915 1.00 31.82 C ATOM 329 CG LEU A 333 -3.346 -0.870 7.244 1.00 31.36 C ATOM 330 CD1 LEU A 333 -2.175 -0.259 8.007 1.00 32.88 C ATOM 331 CD2 LEU A 333 -2.926 -1.119 5.784 1.00 35.65 C ATOM 332 HA LEU A 333 -4.714 -3.042 6.152 1.00 0.00 H ATOM 333 HB2 LEU A 333 -4.217 -1.904 8.921 1.00 0.00 H ATOM 334 HB3 LEU A 333 -3.066 -2.877 7.975 1.00 0.00 H ATOM 335 HG LEU A 333 -4.175 -0.162 7.261 1.00 0.00 H ATOM 336 HD21 LEU A 333 -2.139 -1.873 5.757 1.00 0.00 H ATOM 337 HD22 LEU A 333 -3.787 -1.470 5.215 1.00 0.00 H ATOM 338 HD23 LEU A 333 -2.556 -0.190 5.350 1.00 0.00 H ATOM 339 HD11 LEU A 333 -2.495 -0.003 9.017 1.00 0.00 H ATOM 340 HD12 LEU A 333 -1.358 -0.979 8.054 1.00 0.00 H ATOM 341 HD13 LEU A 333 -1.838 0.641 7.493 1.00 0.00 H ATOM 342 H LEU A 333 -6.369 -1.248 7.862 1.00 0.00 H ATOM 343 N CYS A 334 -6.108 -4.091 8.966 1.00 29.38 N ATOM 344 CA CYS A 334 -6.434 -5.326 9.674 1.00 30.01 C ATOM 345 C CYS A 334 -7.915 -5.713 9.619 1.00 29.63 C ATOM 346 O CYS A 334 -8.271 -6.853 9.897 1.00 31.83 O ATOM 347 CB CYS A 334 -5.918 -5.266 11.129 1.00 29.21 C ATOM 348 SG CYS A 334 -6.948 -4.264 12.217 1.00 29.57 S ATOM 349 HA CYS A 334 -5.916 -6.124 9.142 1.00 0.00 H ATOM 350 HB2 CYS A 334 -4.912 -4.845 11.122 1.00 0.00 H ATOM 351 HB3 CYS A 334 -5.883 -6.281 11.525 1.00 0.00 H ATOM 352 HG CYS A 334 -6.412 -4.269 13.489 1.00 0.00 H ATOM 353 H CYS A 334 -6.374 -3.173 9.377 1.00 0.00 H ATOM 354 N GLY A 335 -8.773 -4.776 9.225 1.00 26.14 N ATOM 355 CA GLY A 335 -10.192 -5.023 9.169 1.00 25.94 C ATOM 356 C GLY A 335 -10.858 -4.899 10.538 1.00 28.30 C ATOM 357 O GLY A 335 -12.081 -5.013 10.655 1.00 27.30 O ATOM 358 HA3 GLY A 335 -10.358 -6.031 8.789 1.00 0.00 H ATOM 359 HA2 GLY A 335 -10.647 -4.301 8.491 1.00 0.00 H ATOM 360 H GLY A 335 -8.411 -3.841 8.950 1.00 0.00 H ATOM 361 N GLY A 336 -10.051 -4.649 11.570 1.00 26.69 N ATOM 362 CA GLY A 336 -10.558 -4.540 12.941 1.00 30.33 C ATOM 363 C GLY A 336 -11.360 -3.274 13.216 1.00 30.07 C ATOM 364 O GLY A 336 -11.026 -2.210 12.708 1.00 28.08 O ATOM 365 HA3 GLY A 336 -9.707 -4.560 13.622 1.00 0.00 H ATOM 366 HA2 GLY A 336 -11.199 -5.399 13.137 1.00 0.00 H ATOM 367 H GLY A 336 -9.033 -4.528 11.397 1.00 0.00 H ATOM 368 N ARG A 337 -12.419 -3.397 14.021 1.00 28.07 N ATOM 369 CA ARG A 337 -13.293 -2.274 14.358 1.00 28.38 C ATOM 370 C ARG A 337 -12.972 -1.669 15.730 1.00 31.88 C ATOM 371 O ARG A 337 -13.567 -0.670 16.108 1.00 30.19 O ATOM 372 CB ARG A 337 -14.762 -2.711 14.369 1.00 29.25 C ATOM 373 CG ARG A 337 -15.226 -3.311 13.061 1.00 32.27 C ATOM 374 CD ARG A 337 -16.642 -3.808 13.146 1.00 32.61 C ATOM 375 NE ARG A 337 -16.988 -4.552 11.933 1.00 28.85 N ATOM 376 CZ ARG A 337 -17.391 -3.972 10.813 1.00 33.55 C ATOM 377 NH1 ARG A 337 -17.504 -2.646 10.764 1.00 35.34 N ATOM 378 NH2 ARG A 337 -17.666 -4.701 9.733 1.00 32.72 N ATOM 379 HA ARG A 337 -13.120 -1.520 13.590 1.00 0.00 H ATOM 380 HB2 ARG A 337 -14.895 -3.454 15.155 1.00 0.00 H ATOM 381 HB3 ARG A 337 -15.379 -1.839 14.587 1.00 0.00 H ATOM 382 HG2 ARG A 337 -15.165 -2.551 12.282 1.00 0.00 H ATOM 383 HG3 ARG A 337 -14.574 -4.146 12.804 1.00 0.00 H ATOM 384 HD2 ARG A 337 -17.317 -2.959 13.253 1.00 0.00 H ATOM 385 HD3 ARG A 337 -16.743 -4.462 14.012 1.00 0.00 H ATOM 386 HE ARG A 337 -16.913 -5.589 11.952 1.00 0.00 H ATOM 387 HH12 ARG A 337 -17.820 -2.183 9.888 1.00 0.00 H ATOM 388 HH11 ARG A 337 -17.276 -2.073 11.602 1.00 0.00 H ATOM 389 HH22 ARG A 337 -17.982 -4.236 8.858 1.00 0.00 H ATOM 390 HH21 ARG A 337 -17.565 -5.736 9.764 1.00 0.00 H ATOM 391 H ARG A 337 -12.631 -4.331 14.425 1.00 0.00 H ATOM 392 N GLN A 338 -12.060 -2.276 16.477 1.00 31.04 N ATOM 393 CA GLN A 338 -11.783 -1.784 17.833 1.00 30.65 C ATOM 394 C GLN A 338 -11.088 -0.416 17.817 1.00 33.54 C ATOM 395 O GLN A 338 -10.549 0.005 16.788 1.00 30.17 O ATOM 396 CB GLN A 338 -10.971 -2.807 18.622 1.00 29.73 C ATOM 397 CG GLN A 338 -9.471 -2.842 18.311 1.00 31.46 C ATOM 398 CD GLN A 338 -9.112 -3.639 17.066 1.00 31.67 C ATOM 399 OE1 GLN A 338 -9.974 -4.245 16.429 1.00 33.14 O ATOM 400 NE2 GLN A 338 -7.829 -3.648 16.721 1.00 29.63 N ATOM 401 HA GLN A 338 -12.741 -1.647 18.334 1.00 0.00 H ATOM 402 HB2 GLN A 338 -11.089 -2.584 19.682 1.00 0.00 H ATOM 403 HB3 GLN A 338 -11.381 -3.795 18.412 1.00 0.00 H ATOM 404 HG2 GLN A 338 -9.126 -1.817 18.173 1.00 0.00 H ATOM 405 HG3 GLN A 338 -8.955 -3.286 19.162 1.00 0.00 H ATOM 406 HE22 GLN A 338 -7.134 -3.122 17.288 1.00 0.00 H ATOM 407 HE21 GLN A 338 -7.519 -4.181 15.884 1.00 0.00 H ATOM 408 H GLN A 338 -11.543 -3.098 16.104 1.00 0.00 H ATOM 409 N ASP A 339 -11.098 0.286 18.948 1.00 30.70 N ATOM 410 CA ASP A 339 -10.335 1.537 19.052 1.00 32.35 C ATOM 411 C ASP A 339 -10.638 2.575 17.926 1.00 31.99 C ATOM 412 O ASP A 339 -9.717 3.034 17.253 1.00 32.12 O ATOM 413 CB ASP A 339 -8.817 1.230 19.102 1.00 31.61 C ATOM 414 CG ASP A 339 -8.428 0.363 20.315 1.00 34.26 C ATOM 415 OD1 ASP A 339 -9.090 0.514 21.365 1.00 34.30 O ATOM 416 OD2 ASP A 339 -7.469 -0.445 20.240 1.00 32.65 O ATOM 417 HA ASP A 339 -10.660 2.007 19.980 1.00 0.00 H ATOM 418 HB2 ASP A 339 -8.537 0.702 18.191 1.00 0.00 H ATOM 419 HB3 ASP A 339 -8.271 2.172 19.156 1.00 0.00 H ATOM 420 H ASP A 339 -11.649 -0.053 19.762 1.00 0.00 H ATOM 421 N PRO A 340 -11.915 2.947 17.729 1.00 31.85 N ATOM 422 CA PRO A 340 -12.258 3.933 16.686 1.00 32.28 C ATOM 423 C PRO A 340 -11.539 5.275 16.908 1.00 34.89 C ATOM 424 O PRO A 340 -11.192 5.987 15.969 1.00 32.97 O ATOM 425 CB PRO A 340 -13.765 4.126 16.843 1.00 34.21 C ATOM 426 CG PRO A 340 -14.194 3.341 18.034 1.00 37.06 C ATOM 427 CD PRO A 340 -13.057 2.595 18.597 1.00 35.74 C ATOM 428 HA PRO A 340 -11.960 3.590 15.695 1.00 0.00 H ATOM 429 HD3 PRO A 340 -12.867 2.900 19.626 1.00 0.00 H ATOM 430 HD2 PRO A 340 -13.247 1.522 18.567 1.00 0.00 H ATOM 431 HG3 PRO A 340 -14.974 2.639 17.739 1.00 0.00 H ATOM 432 HG2 PRO A 340 -14.587 4.021 18.790 1.00 0.00 H ATOM 433 HB2 PRO A 340 -13.992 5.182 16.991 1.00 0.00 H ATOM 434 HB3 PRO A 340 -14.282 3.766 15.953 1.00 0.00 H ATOM 435 N ASP A 341 -11.293 5.607 18.170 1.00 35.47 N ATOM 436 CA ASP A 341 -10.569 6.821 18.520 1.00 35.67 C ATOM 437 C ASP A 341 -9.092 6.783 18.096 1.00 35.70 C ATOM 438 O ASP A 341 -8.404 7.801 18.141 1.00 33.80 O ATOM 439 CB ASP A 341 -10.665 7.024 20.028 1.00 35.43 C ATOM 440 CG ASP A 341 -10.132 5.816 20.806 1.00 39.54 C ATOM 441 OD1 ASP A 341 -10.632 4.686 20.600 1.00 41.19 O ATOM 442 OD2 ASP A 341 -9.213 5.986 21.631 1.00 45.37 O ATOM 443 HA ASP A 341 -11.027 7.650 17.980 1.00 0.00 H ATOM 444 HB2 ASP A 341 -10.083 7.904 20.302 1.00 0.00 H ATOM 445 HB3 ASP A 341 -11.710 7.182 20.296 1.00 0.00 H ATOM 446 H ASP A 341 -11.627 4.982 18.931 1.00 0.00 H ATOM 447 N LYS A 342 -8.598 5.607 17.711 1.00 32.09 N ATOM 448 CA LYS A 342 -7.240 5.473 17.207 1.00 31.77 C ATOM 449 C LYS A 342 -7.213 5.104 15.704 1.00 29.36 C ATOM 450 O LYS A 342 -6.152 4.768 15.156 1.00 30.93 O ATOM 451 CB LYS A 342 -6.495 4.380 17.958 1.00 31.04 C ATOM 452 CG LYS A 342 -6.102 4.689 19.442 1.00 35.56 C ATOM 453 CD LYS A 342 -5.242 3.500 19.907 1.00 38.48 C ATOM 454 CE LYS A 342 -4.549 3.685 21.249 1.00 42.14 C ATOM 455 NZ LYS A 342 -3.881 2.394 21.651 1.00 40.55 N ATOM 456 HA LYS A 342 -6.762 6.442 17.354 1.00 0.00 H ATOM 457 HB2 LYS A 342 -7.127 3.492 17.961 1.00 0.00 H ATOM 458 HB3 LYS A 342 -5.577 4.169 17.410 1.00 0.00 H ATOM 459 HG2 LYS A 342 -5.531 5.616 19.498 1.00 0.00 H ATOM 460 HG3 LYS A 342 -6.995 4.776 20.061 1.00 0.00 H ATOM 461 HD2 LYS A 342 -5.888 2.625 19.979 1.00 0.00 H ATOM 462 HD3 LYS A 342 -4.475 3.323 19.153 1.00 0.00 H ATOM 463 HE2 LYS A 342 -5.285 3.964 22.003 1.00 0.00 H ATOM 464 HE3 LYS A 342 -3.799 4.472 21.166 1.00 0.00 H ATOM 465 HZ1 LYS A 342 -4.598 1.644 21.730 1.00 0.00 H ATOM 466 HZ2 LYS A 342 -3.179 2.129 20.931 1.00 0.00 H ATOM 467 HZ3 LYS A 342 -3.408 2.521 22.568 1.00 0.00 H ATOM 468 H LYS A 342 -9.200 4.761 17.773 1.00 0.00 H ATOM 469 N GLN A 343 -8.370 5.125 15.058 1.00 30.88 N ATOM 470 CA GLN A 343 -8.433 4.859 13.615 1.00 30.14 C ATOM 471 C GLN A 343 -8.455 6.177 12.862 1.00 30.72 C ATOM 472 O GLN A 343 -9.497 6.848 12.828 1.00 31.92 O ATOM 473 CB GLN A 343 -9.694 4.088 13.272 1.00 31.53 C ATOM 474 CG GLN A 343 -9.767 2.673 13.795 1.00 30.08 C ATOM 475 CD GLN A 343 -11.090 2.017 13.428 1.00 34.45 C ATOM 476 OE1 GLN A 343 -11.583 2.185 12.316 1.00 36.55 O ATOM 477 NE2 GLN A 343 -11.682 1.286 14.367 1.00 33.29 N ATOM 478 HA GLN A 343 -7.560 4.271 13.332 1.00 0.00 H ATOM 479 HB2 GLN A 343 -10.543 4.638 13.678 1.00 0.00 H ATOM 480 HB3 GLN A 343 -9.775 4.047 12.186 1.00 0.00 H ATOM 481 HG2 GLN A 343 -8.951 2.092 13.365 1.00 0.00 H ATOM 482 HG3 GLN A 343 -9.667 2.689 14.880 1.00 0.00 H ATOM 483 HE22 GLN A 343 -11.230 1.169 15.296 1.00 0.00 H ATOM 484 HE21 GLN A 343 -12.597 0.831 14.172 1.00 0.00 H ATOM 485 H GLN A 343 -9.245 5.333 15.580 1.00 0.00 H ATOM 486 N LEU A 344 -7.321 6.546 12.271 1.00 30.33 N ATOM 487 CA LEU A 344 -7.194 7.811 11.520 1.00 29.43 C ATOM 488 C LEU A 344 -7.922 7.690 10.211 1.00 31.97 C ATOM 489 O LEU A 344 -7.815 6.663 9.569 1.00 30.22 O ATOM 490 CB LEU A 344 -5.740 8.098 11.182 1.00 32.70 C ATOM 491 CG LEU A 344 -4.740 8.084 12.320 1.00 32.84 C ATOM 492 CD1 LEU A 344 -3.356 8.493 11.801 1.00 29.75 C ATOM 493 CD2 LEU A 344 -5.258 9.018 13.429 1.00 36.58 C ATOM 494 HA LEU A 344 -7.604 8.607 12.142 1.00 0.00 H ATOM 495 HB2 LEU A 344 -5.420 7.350 10.457 1.00 0.00 H ATOM 496 HB3 LEU A 344 -5.700 9.087 10.724 1.00 0.00 H ATOM 497 HG LEU A 344 -4.633 7.083 12.739 1.00 0.00 H ATOM 498 HD21 LEU A 344 -5.361 10.028 13.033 1.00 0.00 H ATOM 499 HD22 LEU A 344 -6.228 8.663 13.778 1.00 0.00 H ATOM 500 HD23 LEU A 344 -4.551 9.022 14.259 1.00 0.00 H ATOM 501 HD11 LEU A 344 -3.036 7.791 11.031 1.00 0.00 H ATOM 502 HD12 LEU A 344 -3.409 9.497 11.380 1.00 0.00 H ATOM 503 HD13 LEU A 344 -2.642 8.481 12.625 1.00 0.00 H ATOM 504 H LEU A 344 -6.493 5.920 12.341 1.00 0.00 H ATOM 505 N MET A 345 -8.632 8.738 9.801 1.00 30.41 N ATOM 506 CA MET A 345 -9.328 8.712 8.516 1.00 32.43 C ATOM 507 C MET A 345 -8.541 9.522 7.497 1.00 32.13 C ATOM 508 O MET A 345 -8.232 10.676 7.741 1.00 31.85 O ATOM 509 CB MET A 345 -10.722 9.317 8.604 1.00 33.85 C ATOM 510 CG MET A 345 -11.588 8.837 9.746 1.00 39.29 C ATOM 511 SD MET A 345 -12.015 7.153 9.427 1.00 41.82 S ATOM 512 CE MET A 345 -12.921 7.268 7.891 1.00 40.21 C ATOM 513 HA MET A 345 -9.414 7.666 8.221 1.00 0.00 H ATOM 514 HB2 MET A 345 -10.610 10.397 8.702 1.00 0.00 H ATOM 515 HB3 MET A 345 -11.243 9.090 7.674 1.00 0.00 H ATOM 516 HG2 MET A 345 -12.491 9.444 9.808 1.00 0.00 H ATOM 517 HG3 MET A 345 -11.039 8.909 10.685 1.00 0.00 H ATOM 518 HE1 MET A 345 -13.793 7.907 8.032 1.00 0.00 H ATOM 519 HE2 MET A 345 -12.277 7.695 7.122 1.00 0.00 H ATOM 520 HE3 MET A 345 -13.244 6.273 7.586 1.00 0.00 H ATOM 521 H MET A 345 -8.692 9.585 10.402 1.00 0.00 H ATOM 522 N CYS A 346 -8.227 8.911 6.363 1.00 28.75 N ATOM 523 CA CYS A 346 -7.492 9.574 5.300 1.00 30.59 C ATOM 524 C CYS A 346 -8.339 10.670 4.650 1.00 33.23 C ATOM 525 O CYS A 346 -9.498 10.444 4.268 1.00 32.86 O ATOM 526 CB CYS A 346 -7.069 8.568 4.231 1.00 30.71 C ATOM 527 SG CYS A 346 -6.131 9.329 2.865 1.00 31.68 S ATOM 528 HA CYS A 346 -6.605 10.026 5.745 1.00 0.00 H ATOM 529 HB2 CYS A 346 -7.964 8.101 3.820 1.00 0.00 H ATOM 530 HB3 CYS A 346 -6.445 7.806 4.698 1.00 0.00 H ATOM 531 HG CYS A 346 -5.789 8.357 1.947 1.00 0.00 H ATOM 532 H CYS A 346 -8.517 7.921 6.230 1.00 0.00 H ATOM 533 N ASP A 347 -7.746 11.845 4.510 1.00 32.13 N ATOM 534 CA ASP A 347 -8.462 12.990 3.956 1.00 36.75 C ATOM 535 C ASP A 347 -8.588 12.966 2.446 1.00 37.43 C ATOM 536 O ASP A 347 -9.268 13.807 1.867 1.00 40.76 O ATOM 537 CB ASP A 347 -7.854 14.286 4.477 1.00 36.71 C ATOM 538 CG ASP A 347 -8.251 14.528 5.913 1.00 36.62 C ATOM 539 OD1 ASP A 347 -9.468 14.556 6.172 1.00 38.68 O ATOM 540 OD2 ASP A 347 -7.370 14.646 6.796 1.00 38.27 O ATOM 541 HA ASP A 347 -9.492 12.926 4.307 1.00 0.00 H ATOM 542 HB2 ASP A 347 -6.768 14.222 4.413 1.00 0.00 H ATOM 543 HB3 ASP A 347 -8.205 15.117 3.865 1.00 0.00 H ATOM 544 H ASP A 347 -6.753 11.954 4.800 1.00 0.00 H ATOM 545 N GLU A 348 -7.947 11.988 1.817 1.00 32.76 N ATOM 546 CA GLU A 348 -8.135 11.758 0.386 1.00 35.31 C ATOM 547 C GLU A 348 -9.100 10.588 0.134 1.00 37.62 C ATOM 548 O GLU A 348 -10.155 10.789 -0.463 1.00 40.32 O ATOM 549 CB GLU A 348 -6.792 11.547 -0.321 1.00 35.00 C ATOM 550 CG GLU A 348 -6.861 11.103 -1.820 1.00 38.16 C ATOM 551 CD GLU A 348 -7.534 12.114 -2.762 1.00 48.33 C ATOM 552 OE1 GLU A 348 -7.979 11.692 -3.864 1.00 48.55 O ATOM 553 OE2 GLU A 348 -7.623 13.317 -2.426 1.00 46.32 O ATOM 554 HA GLU A 348 -8.590 12.652 -0.041 1.00 0.00 H ATOM 555 HB2 GLU A 348 -6.242 12.487 -0.278 1.00 0.00 H ATOM 556 HB3 GLU A 348 -6.244 10.781 0.228 1.00 0.00 H ATOM 557 HG2 GLU A 348 -5.843 10.937 -2.172 1.00 0.00 H ATOM 558 HG3 GLU A 348 -7.419 10.168 -1.872 1.00 0.00 H ATOM 559 H GLU A 348 -7.300 11.375 2.352 1.00 0.00 H ATOM 560 N CYS A 349 -8.764 9.382 0.594 1.00 31.95 N ATOM 561 CA CYS A 349 -9.551 8.195 0.227 1.00 33.88 C ATOM 562 C CYS A 349 -10.594 7.790 1.283 1.00 31.61 C ATOM 563 O CYS A 349 -11.419 6.907 1.039 1.00 30.41 O ATOM 564 CB CYS A 349 -8.629 7.011 -0.071 1.00 31.56 C ATOM 565 SG CYS A 349 -7.852 6.301 1.412 1.00 31.43 S ATOM 566 HA CYS A 349 -10.107 8.473 -0.669 1.00 0.00 H ATOM 567 HB2 CYS A 349 -7.841 7.348 -0.745 1.00 0.00 H ATOM 568 HB3 CYS A 349 -9.215 6.232 -0.560 1.00 0.00 H ATOM 569 HG CYS A 349 -7.043 5.245 1.045 1.00 0.00 H ATOM 570 H CYS A 349 -7.938 9.280 1.218 1.00 0.00 H ATOM 571 N ASP A 350 -10.537 8.441 2.442 1.00 27.42 N ATOM 572 CA ASP A 350 -11.465 8.200 3.540 1.00 33.99 C ATOM 573 C ASP A 350 -11.441 6.774 4.116 1.00 30.64 C ATOM 574 O ASP A 350 -12.372 6.373 4.829 1.00 30.71 O ATOM 575 CB ASP A 350 -12.891 8.605 3.161 1.00 38.08 C ATOM 576 CG ASP A 350 -13.636 9.244 4.317 1.00 46.21 C ATOM 577 OD1 ASP A 350 -12.972 9.731 5.261 1.00 44.40 O ATOM 578 OD2 ASP A 350 -14.893 9.266 4.295 1.00 53.82 O ATOM 579 HA ASP A 350 -11.105 8.840 4.346 1.00 0.00 H ATOM 580 HB2 ASP A 350 -12.846 9.317 2.337 1.00 0.00 H ATOM 581 HB3 ASP A 350 -13.435 7.716 2.842 1.00 0.00 H ATOM 582 H ASP A 350 -9.794 9.157 2.571 1.00 0.00 H ATOM 583 N MET A 351 -10.375 6.032 3.834 1.00 29.83 N ATOM 584 CA MET A 351 -10.129 4.769 4.542 1.00 30.77 C ATOM 585 C MET A 351 -9.600 5.071 5.946 1.00 30.51 C ATOM 586 O MET A 351 -9.011 6.127 6.163 1.00 29.45 O ATOM 587 CB MET A 351 -9.157 3.879 3.760 1.00 28.07 C ATOM 588 CG MET A 351 -9.758 3.320 2.439 1.00 31.12 C ATOM 589 SD MET A 351 -11.234 2.253 2.669 1.00 32.29 S ATOM 590 CE MET A 351 -12.557 3.440 2.478 1.00 32.59 C ATOM 591 HA MET A 351 -11.066 4.219 4.629 1.00 0.00 H ATOM 592 HB2 MET A 351 -8.271 4.465 3.516 1.00 0.00 H ATOM 593 HB3 MET A 351 -8.872 3.039 4.393 1.00 0.00 H ATOM 594 HG2 MET A 351 -8.989 2.735 1.935 1.00 0.00 H ATOM 595 HG3 MET A 351 -10.041 4.163 1.809 1.00 0.00 H ATOM 596 HE1 MET A 351 -12.460 4.215 3.238 1.00 0.00 H ATOM 597 HE2 MET A 351 -12.499 3.891 1.487 1.00 0.00 H ATOM 598 HE3 MET A 351 -13.516 2.935 2.593 1.00 0.00 H ATOM 599 H MET A 351 -9.707 6.350 3.103 1.00 0.00 H ATOM 600 N ALA A 352 -9.805 4.130 6.874 1.00 30.41 N ATOM 601 CA ALA A 352 -9.443 4.263 8.277 1.00 28.78 C ATOM 602 C ALA A 352 -8.244 3.384 8.529 1.00 27.90 C ATOM 603 O ALA A 352 -8.111 2.341 7.914 1.00 28.22 O ATOM 604 CB ALA A 352 -10.601 3.803 9.171 1.00 27.93 C ATOM 605 HA ALA A 352 -9.220 5.305 8.506 1.00 0.00 H ATOM 606 HB1 ALA A 352 -11.479 4.416 8.970 1.00 0.00 H ATOM 607 HB2 ALA A 352 -10.829 2.758 8.959 1.00 0.00 H ATOM 608 HB3 ALA A 352 -10.315 3.909 10.217 1.00 0.00 H ATOM 609 H ALA A 352 -10.254 3.242 6.572 1.00 0.00 H ATOM 610 N PHE A 353 -7.370 3.798 9.444 1.00 27.72 N ATOM 611 CA PHE A 353 -6.137 3.073 9.737 1.00 28.43 C ATOM 612 C PHE A 353 -5.882 3.168 11.234 1.00 27.91 C ATOM 613 O PHE A 353 -5.759 4.270 11.737 1.00 27.34 O ATOM 614 CB PHE A 353 -4.958 3.735 8.999 1.00 27.58 C ATOM 615 CG PHE A 353 -5.066 3.651 7.501 1.00 29.09 C ATOM 616 CD1 PHE A 353 -4.380 2.677 6.795 1.00 32.82 C ATOM 617 CD2 PHE A 353 -5.889 4.530 6.810 1.00 27.09 C ATOM 618 CE1 PHE A 353 -4.510 2.588 5.397 1.00 30.48 C ATOM 619 CE2 PHE A 353 -6.016 4.451 5.432 1.00 29.55 C ATOM 620 CZ PHE A 353 -5.323 3.469 4.733 1.00 31.22 C ATOM 621 HA PHE A 353 -6.230 2.035 9.418 1.00 0.00 H ATOM 622 HB2 PHE A 353 -4.918 4.786 9.284 1.00 0.00 H ATOM 623 HB3 PHE A 353 -4.036 3.241 9.307 1.00 0.00 H ATOM 624 HD2 PHE A 353 -6.443 5.292 7.358 1.00 0.00 H ATOM 625 HE2 PHE A 353 -6.656 5.155 4.899 1.00 0.00 H ATOM 626 HZ PHE A 353 -5.427 3.399 3.650 1.00 0.00 H ATOM 627 HE1 PHE A 353 -3.966 1.822 4.844 1.00 0.00 H ATOM 628 HD1 PHE A 353 -3.736 1.976 7.325 1.00 0.00 H ATOM 629 H PHE A 353 -7.573 4.672 9.970 1.00 0.00 H ATOM 630 N HIS A 354 -5.793 2.047 11.949 1.00 27.78 N ATOM 631 CA HIS A 354 -5.325 2.135 13.355 1.00 25.89 C ATOM 632 C HIS A 354 -3.930 2.729 13.370 1.00 25.47 C ATOM 633 O HIS A 354 -3.086 2.337 12.595 1.00 27.18 O ATOM 634 CB HIS A 354 -5.216 0.774 14.022 1.00 27.95 C ATOM 635 CG HIS A 354 -6.523 0.130 14.329 1.00 29.38 C ATOM 636 ND1 HIS A 354 -6.899 -1.064 13.764 1.00 26.96 N ATOM 637 CD2 HIS A 354 -7.518 0.476 15.185 1.00 28.64 C ATOM 638 CE1 HIS A 354 -8.084 -1.418 14.235 1.00 28.99 C ATOM 639 NE2 HIS A 354 -8.486 -0.492 15.086 1.00 29.27 N ATOM 640 HA HIS A 354 -6.054 2.742 13.892 1.00 0.00 H ATOM 641 HB2 HIS A 354 -4.658 0.113 13.359 1.00 0.00 H ATOM 642 HB3 HIS A 354 -4.668 0.895 14.956 1.00 0.00 H ATOM 643 HD2 HIS A 354 -7.543 1.355 15.829 1.00 0.00 H ATOM 644 HE1 HIS A 354 -8.634 -2.320 13.966 1.00 0.00 H ATOM 645 H HIS A 354 -6.046 1.129 11.531 1.00 0.00 H ATOM 646 N ILE A 355 -3.653 3.648 14.288 1.00 28.16 N ATOM 647 CA ILE A 355 -2.306 4.198 14.344 1.00 30.02 C ATOM 648 C ILE A 355 -1.287 3.079 14.527 1.00 30.43 C ATOM 649 O ILE A 355 -0.156 3.157 14.043 1.00 30.88 O ATOM 650 CB ILE A 355 -2.148 5.241 15.463 1.00 28.13 C ATOM 651 CG1 ILE A 355 -2.516 4.650 16.814 1.00 29.14 C ATOM 652 CG2 ILE A 355 -3.028 6.426 15.181 1.00 30.01 C ATOM 653 CD1 ILE A 355 -2.296 5.634 17.930 1.00 31.72 C ATOM 654 HA ILE A 355 -2.126 4.706 13.396 1.00 0.00 H ATOM 655 HB ILE A 355 -1.104 5.553 15.493 1.00 0.00 H ATOM 656 HG12 ILE A 355 -3.567 4.361 16.799 1.00 0.00 H ATOM 657 HG13 ILE A 355 -1.901 3.768 16.994 1.00 0.00 H ATOM 658 HD11 ILE A 355 -1.245 5.923 17.956 1.00 0.00 H ATOM 659 HD12 ILE A 355 -2.913 6.517 17.761 1.00 0.00 H ATOM 660 HD13 ILE A 355 -2.571 5.173 18.879 1.00 0.00 H ATOM 661 HG21 ILE A 355 -2.741 6.872 14.229 1.00 0.00 H ATOM 662 HG22 ILE A 355 -4.068 6.102 15.133 1.00 0.00 H ATOM 663 HG23 ILE A 355 -2.911 7.161 15.977 1.00 0.00 H ATOM 664 H ILE A 355 -4.384 3.969 14.954 1.00 0.00 H ATOM 665 N TYR A 356 -1.702 2.010 15.201 1.00 29.55 N ATOM 666 CA TYR A 356 -0.771 0.918 15.469 1.00 28.66 C ATOM 667 C TYR A 356 -0.645 -0.111 14.347 1.00 32.02 C ATOM 668 O TYR A 356 0.171 -1.012 14.433 1.00 32.55 O ATOM 669 CB TYR A 356 -1.123 0.224 16.780 1.00 29.99 C ATOM 670 CG TYR A 356 -2.572 -0.139 17.018 1.00 29.91 C ATOM 671 CD1 TYR A 356 -3.131 -1.272 16.445 1.00 31.91 C ATOM 672 CD2 TYR A 356 -3.364 0.606 17.885 1.00 28.53 C ATOM 673 CE1 TYR A 356 -4.457 -1.630 16.699 1.00 31.57 C ATOM 674 CE2 TYR A 356 -4.679 0.255 18.149 1.00 31.40 C ATOM 675 CZ TYR A 356 -5.222 -0.878 17.559 1.00 30.61 C ATOM 676 OH TYR A 356 -6.528 -1.249 17.835 1.00 30.93 O ATOM 677 HA TYR A 356 0.208 1.392 15.541 1.00 0.00 H ATOM 678 HB3 TYR A 356 -0.815 0.884 17.591 1.00 0.00 H ATOM 679 HB2 TYR A 356 -0.545 -0.699 16.825 1.00 0.00 H ATOM 680 HD2 TYR A 356 -2.941 1.487 18.368 1.00 0.00 H ATOM 681 HE2 TYR A 356 -5.284 0.867 18.818 1.00 0.00 H ATOM 682 HE1 TYR A 356 -4.886 -2.507 16.215 1.00 0.00 H ATOM 683 HD1 TYR A 356 -2.525 -1.893 15.785 1.00 0.00 H ATOM 684 HH TYR A 356 -6.624 -1.417 18.806 1.00 0.00 H ATOM 685 H TYR A 356 -2.685 1.952 15.535 1.00 0.00 H ATOM 686 N CYS A 357 -1.453 0.012 13.298 1.00 30.04 N ATOM 687 CA CYS A 357 -1.341 -0.890 12.152 1.00 31.98 C ATOM 688 C CYS A 357 -0.456 -0.304 11.067 1.00 32.92 C ATOM 689 O CYS A 357 0.053 -1.023 10.204 1.00 33.56 O ATOM 690 CB CYS A 357 -2.730 -1.233 11.579 1.00 29.43 C ATOM 691 SG CYS A 357 -3.623 -2.461 12.597 1.00 31.76 S ATOM 692 HA CYS A 357 -0.876 -1.809 12.509 1.00 0.00 H ATOM 693 HB2 CYS A 357 -2.604 -1.637 10.574 1.00 0.00 H ATOM 694 HB3 CYS A 357 -3.324 -0.320 11.531 1.00 0.00 H ATOM 695 HG CYS A 357 -4.853 -2.720 12.028 1.00 0.00 H ATOM 696 H CYS A 357 -2.175 0.760 13.292 1.00 0.00 H ATOM 697 N LEU A 358 -0.265 1.009 11.120 1.00 32.18 N ATOM 698 CA LEU A 358 0.557 1.692 10.142 1.00 35.02 C ATOM 699 C LEU A 358 1.991 1.185 10.271 1.00 40.19 C ATOM 700 O LEU A 358 2.413 0.773 11.351 1.00 35.57 O ATOM 701 CB LEU A 358 0.509 3.201 10.391 1.00 31.48 C ATOM 702 CG LEU A 358 -0.829 3.869 10.065 1.00 31.09 C ATOM 703 CD1 LEU A 358 -0.820 5.297 10.549 1.00 30.29 C ATOM 704 CD2 LEU A 358 -1.133 3.815 8.543 1.00 34.10 C ATOM 705 HA LEU A 358 0.186 1.493 9.137 1.00 0.00 H ATOM 706 HB2 LEU A 358 0.727 3.377 11.444 1.00 0.00 H ATOM 707 HB3 LEU A 358 1.279 3.670 9.778 1.00 0.00 H ATOM 708 HG LEU A 358 -1.618 3.320 10.579 1.00 0.00 H ATOM 709 HD21 LEU A 358 -0.345 4.334 7.998 1.00 0.00 H ATOM 710 HD22 LEU A 358 -1.177 2.775 8.219 1.00 0.00 H ATOM 711 HD23 LEU A 358 -2.090 4.298 8.348 1.00 0.00 H ATOM 712 HD11 LEU A 358 -0.663 5.313 11.627 1.00 0.00 H ATOM 713 HD12 LEU A 358 -0.015 5.842 10.055 1.00 0.00 H ATOM 714 HD13 LEU A 358 -1.776 5.765 10.313 1.00 0.00 H ATOM 715 H LEU A 358 -0.715 1.559 11.880 1.00 0.00 H ATOM 716 N ASP A 359 2.730 1.184 9.164 1.00 38.20 N ATOM 717 CA ASP A 359 4.145 0.837 9.227 1.00 40.90 C ATOM 718 C ASP A 359 4.960 2.009 8.725 1.00 41.95 C ATOM 719 O ASP A 359 4.905 2.339 7.539 1.00 46.13 O ATOM 720 CB ASP A 359 4.444 -0.409 8.396 1.00 45.09 C ATOM 721 CG ASP A 359 5.893 -0.888 8.544 1.00 47.57 C ATOM 722 OD1 ASP A 359 6.573 -0.512 9.532 1.00 46.45 O ATOM 723 OD2 ASP A 359 6.337 -1.648 7.663 1.00 49.13 O ATOM 724 HA ASP A 359 4.410 0.616 10.261 1.00 0.00 H ATOM 725 HB2 ASP A 359 3.778 -1.210 8.716 1.00 0.00 H ATOM 726 HB3 ASP A 359 4.258 -0.181 7.347 1.00 0.00 H ATOM 727 H ASP A 359 2.297 1.431 8.251 1.00 0.00 H ATOM 728 N PRO A 360 5.697 2.668 9.629 1.00 42.91 N ATOM 729 CA PRO A 360 5.819 2.368 11.064 1.00 42.83 C ATOM 730 C PRO A 360 4.589 2.814 11.830 1.00 40.83 C ATOM 731 O PRO A 360 3.872 3.679 11.340 1.00 42.36 O ATOM 732 CB PRO A 360 7.004 3.229 11.514 1.00 42.25 C ATOM 733 CG PRO A 360 7.445 4.009 10.335 1.00 44.91 C ATOM 734 CD PRO A 360 6.418 3.895 9.258 1.00 45.28 C ATOM 735 HA PRO A 360 5.941 1.300 11.242 1.00 0.00 H ATOM 736 HD3 PRO A 360 5.752 4.758 9.256 1.00 0.00 H ATOM 737 HD2 PRO A 360 6.885 3.796 8.278 1.00 0.00 H ATOM 738 HG3 PRO A 360 8.397 3.618 9.974 1.00 0.00 H ATOM 739 HG2 PRO A 360 7.566 5.056 10.614 1.00 0.00 H ATOM 740 HB2 PRO A 360 6.696 3.902 12.314 1.00 0.00 H ATOM 741 HB3 PRO A 360 7.816 2.594 11.868 1.00 0.00 H ATOM 742 N PRO A 361 4.352 2.250 13.019 1.00 38.21 N ATOM 743 CA PRO A 361 3.186 2.663 13.816 1.00 37.54 C ATOM 744 C PRO A 361 3.345 4.071 14.366 1.00 39.75 C ATOM 745 O PRO A 361 4.447 4.468 14.723 1.00 42.33 O ATOM 746 CB PRO A 361 3.175 1.692 15.006 1.00 38.30 C ATOM 747 CG PRO A 361 4.343 0.775 14.830 1.00 40.36 C ATOM 748 CD PRO A 361 5.188 1.238 13.686 1.00 40.20 C ATOM 749 HA PRO A 361 2.280 2.649 13.210 1.00 0.00 H ATOM 750 HD3 PRO A 361 6.119 1.677 14.044 1.00 0.00 H ATOM 751 HD2 PRO A 361 5.413 0.413 13.010 1.00 0.00 H ATOM 752 HG3 PRO A 361 3.983 -0.234 14.628 1.00 0.00 H ATOM 753 HG2 PRO A 361 4.940 0.771 15.742 1.00 0.00 H ATOM 754 HB2 PRO A 361 3.269 2.244 15.941 1.00 0.00 H ATOM 755 HB3 PRO A 361 2.247 1.120 15.015 1.00 0.00 H ATOM 756 N LEU A 362 2.251 4.817 14.445 1.00 37.13 N ATOM 757 CA LEU A 362 2.250 6.089 15.137 1.00 36.06 C ATOM 758 C LEU A 362 1.900 5.823 16.588 1.00 36.94 C ATOM 759 O LEU A 362 1.014 5.032 16.873 1.00 36.51 O ATOM 760 CB LEU A 362 1.214 7.038 14.511 1.00 35.76 C ATOM 761 CG LEU A 362 1.487 7.342 13.045 1.00 38.07 C ATOM 762 CD1 LEU A 362 0.434 8.319 12.481 1.00 36.47 C ATOM 763 CD2 LEU A 362 2.900 7.895 12.903 1.00 39.71 C ATOM 764 HA LEU A 362 3.229 6.562 15.059 1.00 0.00 H ATOM 765 HB2 LEU A 362 0.229 6.578 14.592 1.00 0.00 H ATOM 766 HB3 LEU A 362 1.222 7.976 15.067 1.00 0.00 H ATOM 767 HG LEU A 362 1.412 6.424 12.463 1.00 0.00 H ATOM 768 HD21 LEU A 362 2.992 8.809 13.490 1.00 0.00 H ATOM 769 HD22 LEU A 362 3.616 7.156 13.264 1.00 0.00 H ATOM 770 HD23 LEU A 362 3.099 8.114 11.854 1.00 0.00 H ATOM 771 HD11 LEU A 362 -0.557 7.874 12.569 1.00 0.00 H ATOM 772 HD12 LEU A 362 0.466 9.251 13.045 1.00 0.00 H ATOM 773 HD13 LEU A 362 0.652 8.520 11.432 1.00 0.00 H ATOM 774 H LEU A 362 1.374 4.480 14.000 1.00 0.00 H ATOM 775 N SER A 363 2.582 6.489 17.513 1.00 38.17 N ATOM 776 CA SER A 363 2.309 6.248 18.920 1.00 37.10 C ATOM 777 C SER A 363 1.160 7.114 19.435 1.00 37.68 C ATOM 778 O SER A 363 0.683 6.916 20.549 1.00 40.55 O ATOM 779 CB SER A 363 3.577 6.469 19.745 1.00 42.91 C ATOM 780 OG SER A 363 3.942 7.838 19.692 1.00 48.16 O ATOM 781 HA SER A 363 1.995 5.210 19.028 1.00 0.00 H ATOM 782 HB2 SER A 363 4.386 5.861 19.339 1.00 0.00 H ATOM 783 HB3 SER A 363 3.392 6.182 20.780 1.00 0.00 H ATOM 784 HG SER A 363 4.763 7.980 20.226 1.00 0.00 H ATOM 785 H SER A 363 3.307 7.179 17.232 1.00 0.00 H ATOM 786 N SER A 364 0.727 8.087 18.639 1.00 35.37 N ATOM 787 CA SER A 364 -0.480 8.843 18.943 1.00 36.05 C ATOM 788 C SER A 364 -1.133 9.393 17.680 1.00 34.37 C ATOM 789 O SER A 364 -0.514 9.461 16.633 1.00 34.35 O ATOM 790 CB SER A 364 -0.184 10.010 19.882 1.00 40.47 C ATOM 791 OG SER A 364 0.547 11.012 19.202 1.00 45.31 O ATOM 792 HA SER A 364 -1.163 8.146 19.428 1.00 0.00 H ATOM 793 HB2 SER A 364 0.400 9.651 20.730 1.00 0.00 H ATOM 794 HB3 SER A 364 -1.123 10.431 20.241 1.00 0.00 H ATOM 795 HG SER A 364 0.732 11.762 19.822 1.00 0.00 H ATOM 796 H SER A 364 1.264 8.314 17.778 1.00 0.00 H ATOM 797 N VAL A 365 -2.393 9.780 17.806 1.00 36.81 N ATOM 798 CA VAL A 365 -3.129 10.425 16.726 1.00 35.25 C ATOM 799 C VAL A 365 -2.487 11.791 16.430 1.00 35.70 C ATOM 800 O VAL A 365 -2.270 12.586 17.344 1.00 34.04 O ATOM 801 CB VAL A 365 -4.600 10.618 17.140 1.00 37.68 C ATOM 802 CG1 VAL A 365 -5.334 11.515 16.154 1.00 38.15 C ATOM 803 CG2 VAL A 365 -5.310 9.268 17.253 1.00 37.86 C ATOM 804 HA VAL A 365 -3.093 9.801 15.833 1.00 0.00 H ATOM 805 HB VAL A 365 -4.610 11.103 18.116 1.00 0.00 H ATOM 806 HG11 VAL A 365 -4.849 12.491 16.122 1.00 0.00 H ATOM 807 HG12 VAL A 365 -5.307 11.062 15.163 1.00 0.00 H ATOM 808 HG13 VAL A 365 -6.370 11.632 16.473 1.00 0.00 H ATOM 809 HG21 VAL A 365 -5.278 8.760 16.289 1.00 0.00 H ATOM 810 HG22 VAL A 365 -4.809 8.657 18.004 1.00 0.00 H ATOM 811 HG23 VAL A 365 -6.347 9.428 17.546 1.00 0.00 H ATOM 812 H VAL A 365 -2.877 9.617 18.712 1.00 0.00 H ATOM 813 N PRO A 366 -2.148 12.055 15.160 1.00 33.28 N ATOM 814 CA PRO A 366 -1.481 13.313 14.793 1.00 37.75 C ATOM 815 C PRO A 366 -2.299 14.543 15.158 1.00 36.52 C ATOM 816 O PRO A 366 -3.517 14.491 15.118 1.00 37.12 O ATOM 817 CB PRO A 366 -1.385 13.225 13.275 1.00 37.68 C ATOM 818 CG PRO A 366 -1.405 11.747 12.989 1.00 37.12 C ATOM 819 CD PRO A 366 -2.250 11.120 14.027 1.00 34.58 C ATOM 820 HA PRO A 366 -0.529 13.421 15.313 1.00 0.00 H ATOM 821 HD3 PRO A 366 -3.282 11.029 13.688 1.00 0.00 H ATOM 822 HD2 PRO A 366 -1.869 10.135 14.298 1.00 0.00 H ATOM 823 HG3 PRO A 366 -0.394 11.343 13.034 1.00 0.00 H ATOM 824 HG2 PRO A 366 -1.826 11.562 12.001 1.00 0.00 H ATOM 825 HB2 PRO A 366 -2.233 13.722 12.804 1.00 0.00 H ATOM 826 HB3 PRO A 366 -0.458 13.676 12.919 1.00 0.00 H ATOM 827 N SER A 367 -1.629 15.647 15.460 1.00 35.65 N ATOM 828 CA SER A 367 -2.317 16.883 15.818 1.00 37.14 C ATOM 829 C SER A 367 -2.728 17.707 14.598 1.00 38.85 C ATOM 830 O SER A 367 -3.620 18.561 14.683 1.00 38.46 O ATOM 831 CB SER A 367 -1.414 17.727 16.707 1.00 37.66 C ATOM 832 OG SER A 367 -1.267 17.094 17.963 1.00 41.42 O ATOM 833 HA SER A 367 -3.229 16.601 16.345 1.00 0.00 H ATOM 834 HB2 SER A 367 -1.858 18.713 16.846 1.00 0.00 H ATOM 835 HB3 SER A 367 -0.437 17.833 16.236 1.00 0.00 H ATOM 836 HG SER A 367 -0.680 17.643 18.541 1.00 0.00 H ATOM 837 H SER A 367 -0.589 15.631 15.441 1.00 0.00 H ATOM 838 N GLU A 368 -2.061 17.470 13.474 1.00 39.49 N ATOM 839 CA GLU A 368 -2.380 18.206 12.248 1.00 39.14 C ATOM 840 C GLU A 368 -3.816 17.924 11.863 1.00 42.08 C ATOM 841 O GLU A 368 -4.277 16.784 11.979 1.00 40.25 O ATOM 842 CB GLU A 368 -1.460 17.798 11.093 1.00 38.52 C ATOM 843 CG GLU A 368 -0.046 18.296 11.213 1.00 44.51 C ATOM 844 CD GLU A 368 0.888 17.282 11.874 1.00 51.61 C ATOM 845 OE1 GLU A 368 0.407 16.439 12.677 1.00 51.22 O ATOM 846 OE2 GLU A 368 2.113 17.330 11.589 1.00 53.39 O ATOM 847 HA GLU A 368 -2.234 19.269 12.439 1.00 0.00 H ATOM 848 HB2 GLU A 368 -1.435 16.709 11.047 1.00 0.00 H ATOM 849 HB3 GLU A 368 -1.881 18.190 10.167 1.00 0.00 H ATOM 850 HG2 GLU A 368 0.331 18.517 10.214 1.00 0.00 H ATOM 851 HG3 GLU A 368 -0.048 19.208 11.810 1.00 0.00 H ATOM 852 H GLU A 368 -1.305 16.755 13.464 1.00 0.00 H ATOM 853 N ASP A 369 -4.510 18.959 11.393 1.00 39.14 N ATOM 854 CA ASP A 369 -5.893 18.843 10.925 1.00 41.25 C ATOM 855 C ASP A 369 -6.102 17.791 9.854 1.00 40.75 C ATOM 856 O ASP A 369 -7.065 17.037 9.912 1.00 41.68 O ATOM 857 CB ASP A 369 -6.386 20.174 10.363 1.00 44.89 C ATOM 858 CG ASP A 369 -6.903 21.093 11.427 1.00 48.66 C ATOM 859 OD1 ASP A 369 -6.937 20.692 12.623 1.00 52.84 O ATOM 860 OD2 ASP A 369 -7.280 22.233 11.061 1.00 53.32 O ATOM 861 HA ASP A 369 -6.458 18.543 11.807 1.00 0.00 H ATOM 862 HB2 ASP A 369 -5.559 20.664 9.850 1.00 0.00 H ATOM 863 HB3 ASP A 369 -7.188 19.977 9.652 1.00 0.00 H ATOM 864 H ASP A 369 -4.050 19.891 11.357 1.00 0.00 H ATOM 865 N GLU A 370 -5.229 17.785 8.852 1.00 39.32 N ATOM 866 CA GLU A 370 -5.349 16.840 7.748 1.00 37.79 C ATOM 867 C GLU A 370 -4.285 15.763 7.822 1.00 37.83 C ATOM 868 O GLU A 370 -3.179 16.001 8.308 1.00 37.97 O ATOM 869 CB GLU A 370 -5.294 17.581 6.410 1.00 41.39 C ATOM 870 CG GLU A 370 -6.379 18.642 6.314 1.00 42.46 C ATOM 871 CD GLU A 370 -6.646 19.114 4.907 1.00 49.27 C ATOM 872 OE1 GLU A 370 -5.693 19.142 4.081 1.00 49.24 O ATOM 873 OE2 GLU A 370 -7.823 19.464 4.642 1.00 51.88 O ATOM 874 HA GLU A 370 -6.316 16.343 7.829 1.00 0.00 H ATOM 875 HB2 GLU A 370 -4.320 18.060 6.310 1.00 0.00 H ATOM 876 HB3 GLU A 370 -5.429 16.863 5.601 1.00 0.00 H ATOM 877 HG2 GLU A 370 -7.302 18.227 6.719 1.00 0.00 H ATOM 878 HG3 GLU A 370 -6.075 19.500 6.913 1.00 0.00 H ATOM 879 H GLU A 370 -4.445 18.468 8.855 1.00 0.00 H ATOM 880 N TRP A 371 -4.624 14.571 7.338 1.00 34.19 N ATOM 881 CA TRP A 371 -3.697 13.456 7.347 1.00 34.18 C ATOM 882 C TRP A 371 -3.958 12.597 6.124 1.00 33.54 C ATOM 883 O TRP A 371 -5.112 12.314 5.816 1.00 35.74 O ATOM 884 CB TRP A 371 -3.896 12.613 8.618 1.00 33.76 C ATOM 885 CG TRP A 371 -3.084 11.356 8.652 1.00 33.03 C ATOM 886 CD1 TRP A 371 -1.798 11.224 9.068 1.00 34.71 C ATOM 887 CD2 TRP A 371 -3.516 10.036 8.263 1.00 33.97 C ATOM 888 NE1 TRP A 371 -1.389 9.915 8.958 1.00 32.98 N ATOM 889 CE2 TRP A 371 -2.429 9.162 8.483 1.00 33.17 C ATOM 890 CE3 TRP A 371 -4.711 9.515 7.758 1.00 31.25 C ATOM 891 CZ2 TRP A 371 -2.499 7.800 8.205 1.00 31.48 C ATOM 892 CZ3 TRP A 371 -4.783 8.155 7.486 1.00 30.35 C ATOM 893 CH2 TRP A 371 -3.681 7.319 7.710 1.00 29.68 C ATOM 894 HA TRP A 371 -2.674 13.832 7.332 1.00 0.00 H ATOM 895 HB2 TRP A 371 -3.621 13.222 9.479 1.00 0.00 H ATOM 896 HB3 TRP A 371 -4.949 12.342 8.688 1.00 0.00 H ATOM 897 HE1 TRP A 371 -0.443 9.556 9.197 1.00 0.00 H ATOM 898 HD1 TRP A 371 -1.177 12.040 9.437 1.00 0.00 H ATOM 899 HZ2 TRP A 371 -1.646 7.142 8.375 1.00 0.00 H ATOM 900 HH2 TRP A 371 -3.767 6.256 7.484 1.00 0.00 H ATOM 901 HZ3 TRP A 371 -5.708 7.733 7.093 1.00 0.00 H ATOM 902 HE3 TRP A 371 -5.569 10.163 7.581 1.00 0.00 H ATOM 903 H TRP A 371 -5.577 14.436 6.944 1.00 0.00 H ATOM 904 N TYR A 372 -2.898 12.200 5.440 1.00 30.94 N ATOM 905 CA TYR A 372 -3.037 11.375 4.240 1.00 34.61 C ATOM 906 C TYR A 372 -2.368 10.030 4.426 1.00 33.48 C ATOM 907 O TYR A 372 -1.224 9.952 4.859 1.00 34.14 O ATOM 908 CB TYR A 372 -2.524 12.127 2.992 1.00 36.89 C ATOM 909 CG TYR A 372 -3.346 13.382 2.764 1.00 36.40 C ATOM 910 CD1 TYR A 372 -4.468 13.366 1.947 1.00 37.37 C ATOM 911 CD2 TYR A 372 -3.034 14.562 3.432 1.00 41.10 C ATOM 912 CE1 TYR A 372 -5.240 14.502 1.781 1.00 39.41 C ATOM 913 CE2 TYR A 372 -3.796 15.704 3.275 1.00 40.83 C ATOM 914 CZ TYR A 372 -4.900 15.666 2.455 1.00 41.12 C ATOM 915 OH TYR A 372 -5.648 16.811 2.309 1.00 45.13 O ATOM 916 HA TYR A 372 -4.096 11.177 4.075 1.00 0.00 H ATOM 917 HB3 TYR A 372 -2.607 11.478 2.120 1.00 0.00 H ATOM 918 HB2 TYR A 372 -1.480 12.402 3.140 1.00 0.00 H ATOM 919 HD2 TYR A 372 -2.169 14.586 4.094 1.00 0.00 H ATOM 920 HE2 TYR A 372 -3.526 16.623 3.794 1.00 0.00 H ATOM 921 HE1 TYR A 372 -6.110 14.483 1.125 1.00 0.00 H ATOM 922 HD1 TYR A 372 -4.744 12.447 1.430 1.00 0.00 H ATOM 923 HH TYR A 372 -5.997 17.090 3.192 1.00 0.00 H ATOM 924 H TYR A 372 -1.949 12.479 5.761 1.00 0.00 H ATOM 925 N CYS A 373 -3.110 8.967 4.120 1.00 31.22 N ATOM 926 CA CYS A 373 -2.640 7.624 4.372 1.00 32.07 C ATOM 927 C CYS A 373 -1.504 7.260 3.430 1.00 33.48 C ATOM 928 O CYS A 373 -1.233 7.990 2.470 1.00 35.15 O ATOM 929 CB CYS A 373 -3.787 6.627 4.260 1.00 32.99 C ATOM 930 SG CYS A 373 -4.156 6.059 2.573 1.00 32.59 S ATOM 931 HA CYS A 373 -2.252 7.582 5.390 1.00 0.00 H ATOM 932 HB2 CYS A 373 -4.684 7.098 4.661 1.00 0.00 H ATOM 933 HB3 CYS A 373 -3.536 5.754 4.863 1.00 0.00 H ATOM 934 HG CYS A 373 -5.207 5.166 2.610 1.00 0.00 H ATOM 935 H CYS A 373 -4.047 9.106 3.691 1.00 0.00 H ATOM 936 N PRO A 374 -0.822 6.138 3.710 1.00 33.32 N ATOM 937 CA PRO A 374 0.288 5.673 2.877 1.00 33.69 C ATOM 938 C PRO A 374 -0.088 5.522 1.402 1.00 36.61 C ATOM 939 O PRO A 374 0.811 5.598 0.574 1.00 34.89 O ATOM 940 CB PRO A 374 0.617 4.301 3.463 1.00 38.14 C ATOM 941 CG PRO A 374 0.198 4.410 4.928 1.00 38.25 C ATOM 942 CD PRO A 374 -1.040 5.271 4.889 1.00 34.00 C ATOM 943 HA PRO A 374 1.114 6.384 2.889 1.00 0.00 H ATOM 944 HD3 PRO A 374 -1.935 4.661 4.764 1.00 0.00 H ATOM 945 HD2 PRO A 374 -1.130 5.865 5.798 1.00 0.00 H ATOM 946 HG3 PRO A 374 0.981 4.883 5.521 1.00 0.00 H ATOM 947 HG2 PRO A 374 -0.026 3.427 5.342 1.00 0.00 H ATOM 948 HB2 PRO A 374 0.053 3.518 2.956 1.00 0.00 H ATOM 949 HB3 PRO A 374 1.683 4.090 3.380 1.00 0.00 H ATOM 950 N GLU A 375 -1.367 5.316 1.087 1.00 34.41 N ATOM 951 CA GLU A 375 -1.786 5.064 -0.300 1.00 33.01 C ATOM 952 C GLU A 375 -2.096 6.356 -1.035 1.00 34.83 C ATOM 953 O GLU A 375 -2.336 6.350 -2.245 1.00 36.27 O ATOM 954 CB GLU A 375 -3.020 4.159 -0.337 1.00 32.17 C ATOM 955 CG GLU A 375 -2.904 2.921 0.544 1.00 35.82 C ATOM 956 CD GLU A 375 -4.050 1.947 0.348 1.00 36.60 C ATOM 957 OE1 GLU A 375 -4.930 2.219 -0.484 1.00 36.92 O ATOM 958 OE2 GLU A 375 -4.061 0.916 1.036 1.00 36.86 O ATOM 959 HA GLU A 375 -0.953 4.569 -0.799 1.00 0.00 H ATOM 960 HB2 GLU A 375 -3.881 4.738 -0.004 1.00 0.00 H ATOM 961 HB3 GLU A 375 -3.178 3.835 -1.366 1.00 0.00 H ATOM 962 HG2 GLU A 375 -1.970 2.412 0.307 1.00 0.00 H ATOM 963 HG3 GLU A 375 -2.890 3.236 1.587 1.00 0.00 H ATOM 964 H GLU A 375 -2.085 5.334 1.839 1.00 0.00 H ATOM 965 N CYS A 376 -2.116 7.460 -0.304 1.00 33.04 N ATOM 966 CA CYS A 376 -2.509 8.748 -0.863 1.00 36.16 C ATOM 967 C CYS A 376 -1.404 9.785 -0.719 1.00 40.79 C ATOM 968 O CYS A 376 -1.497 10.879 -1.275 1.00 42.98 O ATOM 969 CB CYS A 376 -3.803 9.251 -0.215 1.00 34.80 C ATOM 970 SG CYS A 376 -5.227 8.179 -0.574 1.00 31.87 S ATOM 971 HA CYS A 376 -2.687 8.599 -1.928 1.00 0.00 H ATOM 972 HB2 CYS A 376 -4.016 10.252 -0.590 1.00 0.00 H ATOM 973 HB3 CYS A 376 -3.660 9.292 0.865 1.00 0.00 H ATOM 974 HG CYS A 376 -6.352 8.691 0.039 1.00 0.00 H ATOM 975 H CYS A 376 -1.843 7.407 0.698 1.00 0.00 H ATOM 976 N ARG A 377 -0.387 9.409 0.048 1.00 40.00 N ATOM 977 CA ARG A 377 0.964 10.004 0.094 1.00 49.47 C ATOM 978 C ARG A 377 1.481 10.036 1.530 1.00 44.04 C ATOM 979 O ARG A 377 1.178 10.967 2.269 1.00 48.50 O ATOM 980 CB ARG A 377 1.058 11.384 -0.557 1.00 50.87 C ATOM 981 CG ARG A 377 1.680 11.371 -1.929 1.00 58.86 C ATOM 982 CD ARG A 377 3.025 12.100 -1.947 1.00 57.33 C ATOM 983 NE ARG A 377 4.106 11.354 -1.299 1.00 62.97 N ATOM 984 CZ ARG A 377 4.575 10.178 -1.722 1.00 66.04 C ATOM 985 NH1 ARG A 377 4.039 9.581 -2.787 1.00 68.93 N ATOM 986 NH2 ARG A 377 5.576 9.588 -1.072 1.00 66.47 N ATOM 987 HA ARG A 377 1.603 9.357 -0.507 1.00 0.00 H ATOM 988 HB2 ARG A 377 0.051 11.794 -0.640 1.00 0.00 H ATOM 989 HB3 ARG A 377 1.659 12.027 0.086 1.00 0.00 H ATOM 990 HG2 ARG A 377 1.834 10.337 -2.238 1.00 0.00 H ATOM 991 HG3 ARG A 377 1.003 11.861 -2.629 1.00 0.00 H ATOM 992 HD2 ARG A 377 2.907 13.053 -1.432 1.00 0.00 H ATOM 993 HD3 ARG A 377 3.305 12.281 -2.985 1.00 0.00 H ATOM 994 HE ARG A 377 4.539 11.770 -0.450 1.00 0.00 H ATOM 995 HH12 ARG A 377 4.409 8.665 -3.111 1.00 0.00 H ATOM 996 HH11 ARG A 377 3.250 10.032 -3.294 1.00 0.00 H ATOM 997 HH22 ARG A 377 5.942 8.672 -1.401 1.00 0.00 H ATOM 998 HH21 ARG A 377 5.992 10.043 -0.235 1.00 0.00 H ATOM 999 H ARG A 377 -0.561 8.607 0.687 1.00 0.00 H TER 1000 ARG A 377 HETATM 1001 ZN ZN A 1 -17.629 -2.870 5.838 1.00 37.51 ZN HETATM 1002 ZN ZN A 2 -5.844 -2.124 12.178 1.00 32.78 ZN HETATM 1003 ZN ZN A 3 -5.796 7.479 1.585 1.00 35.49 ZN HETATM 1004 ZN ZN A 4 -5.800 0.000 0.000 1.00 35.95 ZN HETATM 1005 O HOH 5 -11.690 1.940 6.128 1.00 29.59 O HETATM 1006 O HOH 6 -13.320 -5.889 15.112 1.00 32.90 O HETATM 1007 O HOH 7 -6.587 -5.628 14.910 1.00 32.78 O HETATM 1008 O HOH 8 -7.492 3.613 -0.341 1.00 34.02 O HETATM 1009 O HOH 9 -11.816 5.655 -1.344 1.00 32.53 O HETATM 1010 O HOH 10 -14.254 0.832 12.773 1.00 39.28 O HETATM 1011 O HOH 11 -8.104 -7.840 14.331 1.00 39.15 O HETATM 1012 O HOH 12 -14.993 -7.384 13.869 1.00 38.67 O HETATM 1013 O HOH 13 -12.741 -0.453 21.072 1.00 39.22 O HETATM 1014 O HOH 14 3.019 -1.952 12.351 1.00 42.28 O HETATM 1015 O HOH 15 -4.856 2.737 -3.100 1.00 35.79 O HETATM 1016 O HOH 16 -12.354 -6.690 4.104 1.00 37.25 O HETATM 1017 O HOH 17 -2.397 -5.500 6.302 1.00 40.74 O HETATM 1018 O HOH 18 -3.668 9.481 20.584 1.00 38.87 O HETATM 1019 O HOH 19 -11.000 1.021 -0.119 1.00 37.80 O HETATM 1020 O HOH 20 -23.907 -6.010 13.607 1.00 43.24 O HETATM 1021 O HOH 21 -7.574 -8.746 11.979 1.00 37.84 O HETATM 1022 O HOH 22 -23.210 -10.303 14.238 1.00 43.48 O HETATM 1023 O HOH 23 1.773 -2.312 16.105 1.00 35.61 O HETATM 1024 O HOH 24 -6.076 1.698 22.571 1.00 49.51 O HETATM 1025 O HOH 25 -14.414 -11.629 9.732 1.00 41.54 O HETATM 1026 O HOH 26 1.473 10.917 15.715 1.00 42.73 O HETATM 1027 O HOH 27 1.502 7.512 8.786 1.00 39.71 O HETATM 1028 O HOH 28 -18.349 -0.930 -2.684 1.00 41.98 O HETATM 1029 O HOH 29 0.528 2.950 18.343 1.00 39.61 O HETATM 1030 O HOH 30 -14.477 -5.277 17.560 1.00 43.40 O HETATM 1031 O HOH 31 -16.418 0.664 10.960 1.00 44.17 O HETATM 1032 O HOH 32 -20.081 -0.458 8.745 1.00 46.93 O HETATM 1033 O HOH 33 7.729 -0.751 11.910 1.00 51.74 O HETATM 1034 O HOH 34 1.946 10.258 9.512 1.00 41.99 O HETATM 1035 O HOH 35 -10.100 3.192 -1.374 1.00 33.38 O HETATM 1036 O HOH 36 8.943 -1.197 9.756 1.00 52.37 O HETATM 1037 O HOH 37 2.684 1.550 18.314 1.00 37.64 O HETATM 1038 O HOH 38 -17.693 -0.588 12.707 1.00 45.96 O HETATM 1039 O HOH 39 -15.330 -6.665 3.829 1.00 42.26 O HETATM 1040 O HOH 40 -10.654 -6.984 15.851 1.00 40.54 O HETATM 1041 O HOH 41 -12.718 13.083 2.656 1.00 48.93 O HETATM 1042 O HOH 42 3.358 5.746 9.631 1.00 43.03 O HETATM 1043 O HOH 43 -15.568 1.570 14.958 1.00 46.51 O HETATM 1044 O HOH 44 -22.632 -9.920 6.738 1.00 45.71 O HETATM 1045 O HOH 45 -25.808 -6.813 11.889 1.00 49.72 O HETATM 1046 O HOH 46 -15.933 3.194 4.213 1.00 36.48 O HETATM 1047 O HOH 47 -9.857 0.193 23.772 1.00 42.12 O HETATM 1048 O HOH 48 -11.523 15.405 4.579 1.00 48.78 O HETATM 1049 O HOH 49 -9.134 3.272 22.387 1.00 42.96 O HETATM 1050 O HOH 50 -1.980 0.213 2.707 1.00 45.80 O HETATM 1051 O HOH 51 -21.600 -11.563 8.358 1.00 37.88 O HETATM 1052 O HOH 52 -25.365 -9.366 7.759 1.00 48.12 O HETATM 1053 O HOH 53 -18.717 -2.720 -4.559 1.00 46.80 O HETATM 1054 O HOH 54 1.588 11.444 6.586 1.00 50.75 O HETATM 1055 O HOH 55 -0.166 13.150 5.987 1.00 42.90 O HETATM 1056 O HOH 56 -21.604 4.722 3.068 1.00 55.09 O HETATM 1057 O HOH 57 -16.021 -12.924 14.805 1.00 48.28 O HETATM 1058 O HOH 58 5.090 11.652 2.389 1.00 61.94 O HETATM 1059 O HOH 59 1.208 1.330 6.400 1.00 41.67 O HETATM 1060 O HOH 60 -4.611 15.447 -2.138 1.00 54.57 O HETATM 1061 O HOH 61 -1.887 15.634 -0.205 1.00 51.73 O HETATM 1062 O HOH 62 -16.341 -10.591 16.783 1.00 53.46 O HETATM 1063 O HOH 63 5.245 3.028 18.314 1.00 47.52 O HETATM 1064 O HOH 64 -15.914 -7.800 18.261 1.00 52.92 O HETATM 1065 O HOH 65 -19.316 2.738 7.440 1.00 51.10 O HETATM 1066 O HOH 66 -7.629 13.166 9.105 1.00 36.17 O HETATM 1067 O HOH 67 -13.471 4.162 6.491 1.00 37.30 O HETATM 1068 O HOH 68 -6.233 15.859 15.755 1.00 48.50 O HETATM 1069 O HOH 69 -8.131 17.957 13.515 1.00 50.96 O HETATM 1070 O HOH 70 -10.291 17.449 12.381 1.00 53.50 O HETATM 1071 N ALA A 71 -6.429 15.617 13.064 1.00 0.24 N HETATM 1072 CA ALA A 71 -6.781 14.537 12.144 1.00 0.06 C HETATM 1073 C ALA A 71 -8.137 13.953 12.516 1.00 0.23 C HETATM 1074 O ALA A 71 -8.519 13.950 13.685 1.00 -0.39 O HETATM 1075 N ALA A 71 -8.880 13.479 11.528 1.00 -0.26 N HETATM 1076 CA ALA A 71 -10.160 12.842 11.794 1.00 0.13 C HETATM 1077 C ALA A 71 -9.938 11.413 12.246 1.00 0.20 C HETATM 1078 O ALA A 71 -9.034 10.757 11.769 1.00 -0.39 O HETATM 1079 N ALA A 71 -10.783 10.934 13.147 1.00 -0.26 N HETATM 1080 CA ALA A 71 -10.800 9.521 13.499 1.00 0.16 C HETATM 1081 C ALA A 71 -12.182 8.949 13.226 1.00 0.21 C HETATM 1082 O ALA A 71 -13.125 9.690 12.996 1.00 -0.39 O HETATM 1083 N ALA A 71 -12.298 7.626 13.226 1.00 -0.26 N HETATM 1084 CA ALA A 71 -13.589 6.970 13.079 1.00 0.13 C HETATM 1085 C ALA A 71 -14.554 7.500 14.116 1.00 0.20 C HETATM 1086 O ALA A 71 -15.762 7.587 13.884 1.00 -0.39 O HETATM 1087 N ALA A 71 -14.017 7.848 15.272 1.00 -0.26 N HETATM 1088 CA ALA A 71 -14.865 8.314 16.348 1.00 0.13 C HETATM 1089 C ALA A 71 -15.475 9.675 16.027 1.00 0.20 C HETATM 1090 O ALA A 71 -16.655 9.903 16.275 1.00 -0.39 O HETATM 1091 N ALA A 71 -14.683 10.569 15.447 1.00 -0.26 N HETATM 1092 CA ALA A 71 -15.180 11.907 15.160 1.00 0.16 C HETATM 1093 C ALA A 71 -15.869 11.986 13.796 1.00 0.21 C HETATM 1094 O ALA A 71 -16.628 12.916 13.534 1.00 -0.39 O HETATM 1095 N ALA A 71 -15.623 10.998 12.944 1.00 -0.27 N HETATM 1096 CA ALA A 71 -16.284 10.923 11.646 1.00 0.09 C HETATM 1097 C ALA A 71 -17.752 10.517 11.820 1.00 0.06 C HETATM 1098 O ALA A 71 -18.220 10.307 12.955 1.00 -0.57 O HETATM 1099 O ALA A 71 -18.491 10.395 10.807 1.00 -0.57 O HETATM 1100 CB ALA A 71 -15.543 9.941 10.713 1.00 -0.03 C HETATM 1101 H ALA A 71 -14.518 10.283 10.568 1.00 0.03 H HETATM 1102 H ALA A 71 -15.536 8.949 11.164 1.00 0.03 H HETATM 1103 H ALA A 71 -16.053 9.901 9.751 1.00 0.03 H HETATM 1104 H ALA A 71 -16.256 11.909 11.183 1.00 0.07 H HETATM 1105 H ALA A 71 -14.954 10.273 13.204 1.00 0.19 H HETATM 1106 CB ALA A 71 -14.074 12.982 15.295 1.00 0.09 C HETATM 1107 OG1 ALA A 71 -13.056 12.776 14.301 1.00 -0.39 O HETATM 1108 H ALA A 71 -12.377 13.448 14.396 1.00 0.21 H HETATM 1109 CG2 ALA A 71 -13.462 12.932 16.684 1.00 -0.03 C HETATM 1110 H ALA A 71 -14.236 13.120 17.428 1.00 0.03 H HETATM 1111 H ALA A 71 -13.026 11.947 16.852 1.00 0.03 H HETATM 1112 H ALA A 71 -12.686 13.693 16.765 1.00 0.03 H HETATM 1113 H ALA A 71 -14.521 13.964 15.142 1.00 0.06 H HETATM 1114 H ALA A 71 -15.934 12.123 15.916 1.00 0.08 H HETATM 1115 H ALA A 71 -13.725 10.318 15.202 1.00 0.19 H HETATM 1116 CB ALA A 71 -14.104 8.351 17.661 1.00 0.00 C HETATM 1117 CG ALA A 71 -14.926 8.935 18.758 1.00 0.04 C HETATM 1118 CD ALA A 71 -14.146 9.068 20.017 1.00 0.17 C HETATM 1119 OE1 ALA A 71 -13.060 9.669 20.035 1.00 -0.40 O HETATM 1120 NE2 ALA A 71 -14.680 8.500 21.100 1.00 -0.30 N HETATM 1121 H ALA A 71 -14.192 8.549 21.994 1.00 0.18 H HETATM 1122 H ALA A 71 -15.576 8.017 21.033 1.00 0.18 H HETATM 1123 H ALA A 71 -15.771 8.272 18.945 1.00 0.05 H HETATM 1124 H ALA A 71 -15.254 9.928 18.450 1.00 0.05 H HETATM 1125 H ALA A 71 -13.218 8.972 17.527 1.00 0.03 H HETATM 1126 H ALA A 71 -13.842 7.329 17.935 1.00 0.03 H HETATM 1127 H ALA A 71 -15.686 7.604 16.454 1.00 0.08 H HETATM 1128 H ALA A 71 -13.008 7.788 15.406 1.00 0.19 H HETATM 1129 CB ALA A 71 -13.461 5.456 13.266 1.00 -0.01 C HETATM 1130 CG ALA A 71 -13.595 4.677 12.018 1.00 -0.04 C HETATM 1131 CD ALA A 71 -14.989 4.827 11.463 1.00 -0.01 C HETATM 1132 CE ALA A 71 -15.177 3.928 10.271 1.00 -0.04 C HETATM 1133 NZ ALA A 71 -14.370 4.375 9.118 1.00 0.22 N HETATM 1134 H ALA A 71 -14.523 3.743 8.332 1.00 0.20 H HETATM 1135 H ALA A 71 -14.649 5.320 8.855 1.00 0.20 H HETATM 1136 H ALA A 71 -13.382 4.369 9.373 1.00 0.20 H HETATM 1137 H ALA A 71 -16.228 3.952 9.985 1.00 0.08 H HETATM 1138 H ALA A 71 -14.857 2.923 10.545 1.00 0.08 H HETATM 1139 H ALA A 71 -15.140 5.862 11.155 1.00 0.03 H HETATM 1140 H ALA A 71 -15.710 4.552 12.233 1.00 0.03 H HETATM 1141 H ALA A 71 -13.405 3.625 12.230 1.00 0.03 H HETATM 1142 H ALA A 71 -12.876 5.046 11.286 1.00 0.03 H HETATM 1143 H ALA A 71 -14.270 5.145 13.927 1.00 0.03 H HETATM 1144 H ALA A 71 -12.462 5.264 13.659 1.00 0.03 H HETATM 1145 H ALA A 71 -13.957 7.178 12.074 1.00 0.08 H HETATM 1146 H ALA A 71 -11.460 7.054 13.332 1.00 0.19 H HETATM 1147 CB ALA A 71 -10.447 9.293 14.957 1.00 0.09 C HETATM 1148 OG1 ALA A 71 -11.496 9.826 15.773 1.00 -0.39 O HETATM 1149 H ALA A 71 -11.282 9.687 16.698 1.00 0.21 H HETATM 1150 CG2 ALA A 71 -9.138 9.975 15.291 1.00 -0.03 C HETATM 1151 H ALA A 71 -8.346 9.566 14.664 1.00 0.03 H HETATM 1152 H ALA A 71 -9.231 11.046 15.109 1.00 0.03 H HETATM 1153 H ALA A 71 -8.898 9.803 16.340 1.00 0.03 H HETATM 1154 H ALA A 71 -10.337 8.225 15.144 1.00 0.06 H HETATM 1155 H ALA A 71 -10.049 9.019 12.889 1.00 0.08 H HETATM 1156 H ALA A 71 -11.437 11.569 13.605 1.00 0.19 H HETATM 1157 CB ALA A 71 -11.018 12.797 10.544 1.00 -0.01 C HETATM 1158 CG ALA A 71 -11.462 14.148 10.036 1.00 -0.02 C HETATM 1159 CD ALA A 71 -12.396 13.896 8.890 1.00 0.06 C HETATM 1160 NE ALA A 71 -11.670 13.231 7.821 1.00 -0.27 N HETATM 1161 CZ ALA A 71 -12.198 12.331 7.003 1.00 0.29 C HETATM 1162 NH1 ALA A 71 -13.470 11.958 7.131 1.00 -0.28 N HETATM 1163 H ALA A 71 -14.050 12.366 7.865 1.00 0.26 H HETATM 1164 H ALA A 71 -13.865 11.265 6.495 1.00 0.26 H HETATM 1165 NH2 ALA A 71 -11.438 11.790 6.072 1.00 -0.28 N HETATM 1166 H ALA A 71 -10.459 12.065 5.989 1.00 0.26 H HETATM 1167 H ALA A 71 -11.829 11.096 5.434 1.00 0.26 H HETATM 1168 H ALA A 71 -10.688 13.473 7.691 1.00 0.26 H HETATM 1169 H ALA A 71 -12.795 14.843 8.528 1.00 0.07 H HETATM 1170 H ALA A 71 -13.220 13.264 9.221 1.00 0.07 H HETATM 1171 H ALA A 71 -10.606 14.741 9.714 1.00 0.03 H HETATM 1172 H ALA A 71 -11.960 14.713 10.824 1.00 0.03 H HETATM 1173 H ALA A 71 -11.920 12.241 10.798 1.00 0.03 H HETATM 1174 H ALA A 71 -10.412 12.346 9.759 1.00 0.03 H HETATM 1175 H ALA A 71 -10.662 13.425 12.566 1.00 0.08 H HETATM 1176 H ALA A 71 -8.550 13.562 10.566 1.00 0.19 H HETATM 1177 CB ALA A 71 -5.703 13.464 12.152 1.00 -0.00 C HETATM 1178 H ALA A 71 -5.634 13.027 13.148 1.00 0.03 H HETATM 1179 H ALA A 71 -5.959 12.688 11.431 1.00 0.03 H HETATM 1180 H ALA A 71 -4.746 13.910 11.883 1.00 0.03 H HETATM 1181 H ALA A 71 -6.849 14.940 11.133 1.00 0.11 H HETATM 1182 H ALA A 71 -7.160 16.328 13.048 1.00 0.20 H HETATM 1183 H ALA A 71 -6.339 15.242 14.008 1.00 0.20 H HETATM 1184 H ALA A 71 -5.543 16.032 12.776 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 51 50 55 1001 CONECT 100 99 104 1001 CONECT 230 229 234 1001 CONECT 281 280 285 1001 CONECT 302 301 306 1002 CONECT 317 315 316 1004 CONECT 348 347 352 1002 CONECT 527 526 531 1003 CONECT 565 564 569 1003 CONECT 636 635 638 1002 CONECT 691 690 695 1002 CONECT 930 929 934 1003 CONECT 957 956 1004 CONECT 958 956 1004 CONECT 970 969 974 1003 CONECT 1001 51 100 230 281 CONECT 1002 302 348 636 691 CONECT 1003 527 565 930 970 CONECT 1004 317 957 958 CONECT 1071 1072 1182 1183 1184 CONECT 1072 1071 1073 1177 1181 CONECT 1073 1072 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1176 CONECT 1076 1075 1077 1157 1175 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1156 CONECT 1080 1079 1081 1147 1155 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1146 CONECT 1084 1083 1085 1129 1145 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1128 CONECT 1088 1087 1089 1116 1127 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1115 CONECT 1092 1091 1093 1106 1114 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1105 CONECT 1096 1095 1097 1100 1104 CONECT 1097 1096 1098 1099 CONECT 1098 1097 CONECT 1099 1097 CONECT 1100 1096 1101 1102 1103 CONECT 1101 1100 CONECT 1102 1100 CONECT 1103 1100 CONECT 1104 1096 CONECT 1105 1095 CONECT 1106 1092 1107 1109 1113 CONECT 1107 1106 1108 CONECT 1108 1107 CONECT 1109 1106 1110 1111 1112 CONECT 1110 1109 CONECT 1111 1109 CONECT 1112 1109 CONECT 1113 1106 CONECT 1114 1092 CONECT 1115 1091 CONECT 1116 1088 1117 1125 1126 CONECT 1117 1116 1118 1123 1124 CONECT 1118 1117 1119 1120 CONECT 1119 1118 CONECT 1120 1118 1121 1122 CONECT 1121 1120 CONECT 1122 1120 CONECT 1123 1117 CONECT 1124 1117 CONECT 1125 1116 CONECT 1126 1116 CONECT 1127 1088 CONECT 1128 1087 CONECT 1129 1084 1130 1143 1144 CONECT 1130 1129 1131 1141 1142 CONECT 1131 1130 1132 1139 1140 CONECT 1132 1131 1133 1137 1138 CONECT 1133 1132 1134 1135 1136 CONECT 1134 1133 CONECT 1135 1133 CONECT 1136 1133 CONECT 1137 1132 CONECT 1138 1132 CONECT 1139 1131 CONECT 1140 1131 CONECT 1141 1130 CONECT 1142 1130 CONECT 1143 1129 CONECT 1144 1129 CONECT 1145 1084 CONECT 1146 1083 CONECT 1147 1080 1148 1150 1154 CONECT 1148 1147 1149 CONECT 1149 1148 CONECT 1150 1147 1151 1152 1153 CONECT 1151 1150 CONECT 1152 1150 CONECT 1153 1150 CONECT 1154 1147 CONECT 1155 1080 CONECT 1156 1079 CONECT 1157 1076 1158 1173 1174 CONECT 1158 1157 1159 1171 1172 CONECT 1159 1158 1160 1169 1170 CONECT 1160 1159 1161 1168 CONECT 1161 1160 1162 1165 CONECT 1162 1161 1163 1164 CONECT 1163 1162 CONECT 1164 1162 CONECT 1165 1161 1166 1167 CONECT 1166 1165 CONECT 1167 1165 CONECT 1168 1160 CONECT 1169 1159 CONECT 1170 1159 CONECT 1171 1158 CONECT 1172 1158 CONECT 1173 1157 CONECT 1174 1157 CONECT 1175 1076 CONECT 1176 1075 CONECT 1177 1072 1178 1179 1180 CONECT 1178 1177 CONECT 1179 1177 CONECT 1180 1177 CONECT 1181 1072 CONECT 1182 1071 CONECT 1183 1071 CONECT 1184 1071 MASTER 0 0 0 0 0 0 0 0 1183 1 137 6 END
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PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
3shb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase UHRF1
Ligand Name
12-mer
EC.Number
E.C.6.3.2
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=0.93uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Cell Res. Vol. 21: pp. 1374-1378
Ligand Properties
Formula
C
3
1
H
6
1
N
1
2
O
1
1
Molecular Weight
777.890
Exact Mass
777.458
No. of atoms
115
No. of bonds
114
Polar Surface Area
416.74
LOGP Value
-5.36 (
Computed with XLOGP3
)
-5.35 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 33
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C31H58N12O11/c1-14(33)24(47)39-19(9-7-13-37-31(35)36)26(49)43-23(17(4)45)29(52)41-18(8-5-6-12-32)25(48)40-20(10-11-21(34)46)27(50)42-22(16(3)44)28(51)38-15(2)30(53)54/h14-20,22-23,44-45H,5-13,32-33H2,1-4H3,(H2,34,46)(H,38,51)(H,39,47)(H,40,48)(H,41,52)(H,42,50)(H,43,49)(H,53,54)(H4,35,36,37)/p+3/t14-,15-,16+,17+,18-,19-,20-,22-,23-/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):
Q96T88
Entrez Gene ID
NCBI Entrez Gene ID:
29128
ASD
Information of known allosteric effects of PDB entries
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