Browse entries in the PDBbind-CN Database
HEADER 3ASL_COMPLEX COMPND 3ASL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 68 GLY PRO SER CYS LYS HIS CYS LYS ASP ASP VAL ASN ARG SEQRES 2 A 68 LEU CYS ARG VAL CYS ALA CYS HIS LEU CYS GLY GLY ARG SEQRES 3 A 68 GLN ASP PRO ASP LYS GLN LEU MET CYS ASP GLU CYS ASP SEQRES 4 A 68 MET ALA PHE HIS ILE TYR CYS LEU ASP PRO PRO LEU SER SEQRES 5 A 68 SER VAL PRO SER GLU ASP GLU TRP TYR CYS PRO GLU CYS SEQRES 6 A 68 ARG ASN ASP HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 145 160 ATOM 1 N GLY A 299 -2.808 -2.586 -6.560 1.00 20.96 N ATOM 2 CA GLY A 299 -2.690 -2.009 -5.183 1.00 20.20 C ATOM 3 C GLY A 299 -1.756 -0.826 -5.205 1.00 19.94 C ATOM 4 O GLY A 299 -0.621 -0.914 -4.744 1.00 20.42 O ATOM 5 HA3 GLY A 299 -2.299 -2.767 -4.505 1.00 0.00 H ATOM 6 HA2 GLY A 299 -3.673 -1.688 -4.839 1.00 0.00 H ATOM 7 HN3 GLY A 299 -1.870 -2.893 -6.887 1.00 0.00 H ATOM 8 HN2 GLY A 299 -3.183 -1.863 -7.207 1.00 0.00 H ATOM 9 HN1 GLY A 299 -3.453 -3.401 -6.539 1.00 0.00 H ATOM 10 N PRO A 300 -2.228 0.300 -5.756 1.00 19.20 N ATOM 11 CA PRO A 300 -1.289 1.379 -6.031 1.00 18.63 C ATOM 12 C PRO A 300 -0.653 1.987 -4.766 1.00 18.20 C ATOM 13 O PRO A 300 -1.275 2.026 -3.696 1.00 18.46 O ATOM 14 CB PRO A 300 -2.148 2.416 -6.779 1.00 18.29 C ATOM 15 CG PRO A 300 -3.452 1.767 -7.077 1.00 20.05 C ATOM 16 CD PRO A 300 -3.616 0.663 -6.098 1.00 19.28 C ATOM 17 HA PRO A 300 -0.431 1.023 -6.601 1.00 0.00 H ATOM 18 HD3 PRO A 300 -4.160 1.001 -5.216 1.00 0.00 H ATOM 19 HD2 PRO A 300 -4.141 -0.181 -6.546 1.00 0.00 H ATOM 20 HG3 PRO A 300 -3.451 1.371 -8.093 1.00 0.00 H ATOM 21 HG2 PRO A 300 -4.263 2.487 -6.970 1.00 0.00 H ATOM 22 HB2 PRO A 300 -2.302 3.296 -6.154 1.00 0.00 H ATOM 23 HB3 PRO A 300 -1.656 2.711 -7.706 1.00 0.00 H ATOM 24 N SER A 301 0.585 2.453 -4.889 1.00 17.38 N ATOM 25 CA SER A 301 1.232 3.195 -3.807 1.00 17.32 C ATOM 26 C SER A 301 0.486 4.476 -3.475 1.00 15.71 C ATOM 27 O SER A 301 0.332 4.831 -2.314 1.00 17.43 O ATOM 28 CB SER A 301 2.675 3.541 -4.173 1.00 17.67 C ATOM 29 OG SER A 301 3.270 4.277 -3.129 1.00 22.64 O ATOM 30 HA SER A 301 1.220 2.547 -2.931 1.00 0.00 H ATOM 31 HB2 SER A 301 2.684 4.136 -5.086 1.00 0.00 H ATOM 32 HB3 SER A 301 3.238 2.622 -4.334 1.00 0.00 H ATOM 33 HG SER A 301 2.760 5.113 -2.983 1.00 0.00 H ATOM 34 H SER A 301 1.106 2.287 -5.774 1.00 0.00 H ATOM 35 N CYS A 302 0.038 5.183 -4.515 1.00 14.05 N ATOM 36 CA CYS A 302 -0.704 6.421 -4.340 1.00 13.91 C ATOM 37 C CYS A 302 -2.137 6.214 -4.759 1.00 14.13 C ATOM 38 O CYS A 302 -2.414 5.984 -5.929 1.00 14.63 O ATOM 39 CB CYS A 302 -0.068 7.542 -5.145 1.00 13.74 C ATOM 40 SG CYS A 302 -0.918 9.119 -4.837 1.00 13.46 S ATOM 41 HA CYS A 302 -0.679 6.706 -3.288 1.00 0.00 H ATOM 42 HB2 CYS A 302 -0.133 7.302 -6.206 1.00 0.00 H ATOM 43 HB3 CYS A 302 0.979 7.638 -4.859 1.00 0.00 H ATOM 44 HG CYS A 302 -0.834 9.430 -3.495 1.00 0.00 H ATOM 45 H CYS A 302 0.225 4.838 -5.478 1.00 0.00 H ATOM 46 N LYS A 303 -3.053 6.267 -3.800 1.00 14.69 N ATOM 47 CA LYS A 303 -4.469 6.052 -4.095 1.00 14.91 C ATOM 48 C LYS A 303 -5.086 7.209 -4.855 1.00 14.70 C ATOM 49 O LYS A 303 -6.136 7.044 -5.456 1.00 15.17 O ATOM 50 CB LYS A 303 -5.264 5.740 -2.823 1.00 15.58 C ATOM 51 CG LYS A 303 -4.912 4.381 -2.277 1.00 19.32 C ATOM 52 CD LYS A 303 -5.400 3.226 -3.172 1.00 22.88 C ATOM 53 CE LYS A 303 -5.210 1.877 -2.499 1.00 24.48 C ATOM 54 NZ LYS A 303 -3.780 1.583 -2.205 1.00 25.57 N ATOM 55 HA LYS A 303 -4.521 5.181 -4.749 1.00 0.00 H ATOM 56 HB2 LYS A 303 -5.039 6.495 -2.069 1.00 0.00 H ATOM 57 HB3 LYS A 303 -6.329 5.765 -3.054 1.00 0.00 H ATOM 58 HG2 LYS A 303 -3.828 4.314 -2.184 1.00 0.00 H ATOM 59 HG3 LYS A 303 -5.367 4.274 -1.292 1.00 0.00 H ATOM 60 HD2 LYS A 303 -6.459 3.368 -3.387 1.00 0.00 H ATOM 61 HD3 LYS A 303 -4.836 3.239 -4.105 1.00 0.00 H ATOM 62 HE2 LYS A 303 -5.599 1.100 -3.157 1.00 0.00 H ATOM 63 HE3 LYS A 303 -5.768 1.871 -1.563 1.00 0.00 H ATOM 64 HZ1 LYS A 303 -3.239 1.578 -3.093 1.00 0.00 H ATOM 65 HZ2 LYS A 303 -3.400 2.314 -1.571 1.00 0.00 H ATOM 66 HZ3 LYS A 303 -3.706 0.652 -1.747 1.00 0.00 H ATOM 67 H LYS A 303 -2.759 6.465 -2.822 1.00 0.00 H ATOM 68 N HIS A 304 -4.413 8.365 -4.851 1.00 13.93 N ATOM 69 CA HIS A 304 -4.924 9.563 -5.497 1.00 13.76 C ATOM 70 C HIS A 304 -4.796 9.455 -7.001 1.00 13.60 C ATOM 71 O HIS A 304 -5.758 9.660 -7.712 1.00 15.52 O ATOM 72 CB HIS A 304 -4.222 10.810 -4.923 1.00 13.67 C ATOM 73 CG HIS A 304 -4.303 10.899 -3.429 1.00 14.21 C ATOM 74 ND1 HIS A 304 -5.443 11.299 -2.777 1.00 14.20 N ATOM 75 CD2 HIS A 304 -3.418 10.567 -2.464 1.00 14.52 C ATOM 76 CE1 HIS A 304 -5.242 11.255 -1.473 1.00 13.68 C ATOM 77 NE2 HIS A 304 -4.020 10.809 -1.257 1.00 13.78 N ATOM 78 HA HIS A 304 -5.988 9.666 -5.285 1.00 0.00 H ATOM 79 HB2 HIS A 304 -3.171 10.780 -5.212 1.00 0.00 H ATOM 80 HB3 HIS A 304 -4.690 11.698 -5.349 1.00 0.00 H ATOM 81 HD2 HIS A 304 -2.411 10.178 -2.617 1.00 0.00 H ATOM 82 HE1 HIS A 304 -5.963 11.539 -0.706 1.00 0.00 H ATOM 83 H HIS A 304 -3.492 8.408 -4.369 1.00 0.00 H ATOM 84 N CYS A 305 -3.611 9.133 -7.494 1.00 11.93 N ATOM 85 CA CYS A 305 -3.365 9.049 -8.939 1.00 12.45 C ATOM 86 C CYS A 305 -3.353 7.602 -9.449 1.00 12.27 C ATOM 87 O CYS A 305 -3.266 7.397 -10.655 1.00 12.79 O ATOM 88 CB CYS A 305 -2.061 9.742 -9.292 1.00 12.17 C ATOM 89 SG CYS A 305 -0.668 8.916 -8.605 1.00 12.15 S ATOM 90 HA CYS A 305 -4.192 9.557 -9.435 1.00 0.00 H ATOM 91 HB2 CYS A 305 -2.090 10.762 -8.909 1.00 0.00 H ATOM 92 HB3 CYS A 305 -1.957 9.765 -10.377 1.00 0.00 H ATOM 93 HG CYS A 305 -0.784 8.888 -7.230 1.00 0.00 H ATOM 94 H CYS A 305 -2.830 8.933 -6.837 1.00 0.00 H ATOM 95 N LYS A 306 -3.427 6.623 -8.531 1.00 12.81 N ATOM 96 CA LYS A 306 -3.348 5.192 -8.888 1.00 13.38 C ATOM 97 C LYS A 306 -2.055 4.826 -9.622 1.00 12.84 C ATOM 98 O LYS A 306 -2.011 3.863 -10.385 1.00 13.36 O ATOM 99 CB LYS A 306 -4.575 4.755 -9.706 1.00 13.51 C ATOM 100 CG LYS A 306 -5.865 5.004 -8.974 1.00 14.67 C ATOM 101 CD LYS A 306 -7.056 4.501 -9.736 1.00 16.23 C ATOM 102 CE LYS A 306 -8.346 4.828 -8.990 1.00 17.44 C ATOM 103 NZ LYS A 306 -9.549 4.270 -9.662 1.00 18.22 N ATOM 104 HA LYS A 306 -3.340 4.646 -7.945 1.00 0.00 H ATOM 105 HB2 LYS A 306 -4.589 5.313 -10.643 1.00 0.00 H ATOM 106 HB3 LYS A 306 -4.493 3.689 -9.920 1.00 0.00 H ATOM 107 HG2 LYS A 306 -5.825 4.497 -8.010 1.00 0.00 H ATOM 108 HG3 LYS A 306 -5.977 6.076 -8.815 1.00 0.00 H ATOM 109 HD2 LYS A 306 -7.080 4.974 -10.718 1.00 0.00 H ATOM 110 HD3 LYS A 306 -6.975 3.421 -9.856 1.00 0.00 H ATOM 111 HE2 LYS A 306 -8.450 5.911 -8.929 1.00 0.00 H ATOM 112 HE3 LYS A 306 -8.283 4.413 -7.984 1.00 0.00 H ATOM 113 HZ1 LYS A 306 -9.624 4.666 -10.621 1.00 0.00 H ATOM 114 HZ2 LYS A 306 -9.464 3.235 -9.718 1.00 0.00 H ATOM 115 HZ3 LYS A 306 -10.397 4.520 -9.115 1.00 0.00 H ATOM 116 H LYS A 306 -3.544 6.883 -7.531 1.00 0.00 H ATOM 117 N ASP A 307 -1.011 5.602 -9.367 1.00 12.65 N ATOM 118 CA ASP A 307 0.313 5.419 -9.939 1.00 12.74 C ATOM 119 C ASP A 307 0.313 5.559 -11.445 1.00 13.04 C ATOM 120 O ASP A 307 1.220 5.043 -12.108 1.00 14.32 O ATOM 121 CB ASP A 307 0.923 4.055 -9.531 1.00 12.36 C ATOM 122 CG ASP A 307 1.083 3.888 -8.040 1.00 12.75 C ATOM 123 OD1 ASP A 307 1.002 4.872 -7.268 1.00 12.21 O ATOM 124 OD2 ASP A 307 1.343 2.741 -7.643 1.00 15.75 O ATOM 125 HA ASP A 307 0.935 6.216 -9.531 1.00 0.00 H ATOM 126 HB2 ASP A 307 0.272 3.262 -9.899 1.00 0.00 H ATOM 127 HB3 ASP A 307 1.905 3.963 -9.996 1.00 0.00 H ATOM 128 H ASP A 307 -1.149 6.398 -8.712 1.00 0.00 H ATOM 129 N ASP A 308 -0.678 6.268 -11.986 1.00 13.34 N ATOM 130 CA ASP A 308 -0.807 6.443 -13.435 1.00 12.84 C ATOM 131 C ASP A 308 0.204 7.461 -13.922 1.00 12.41 C ATOM 132 O ASP A 308 0.067 8.650 -13.634 1.00 13.12 O ATOM 133 CB ASP A 308 -2.197 6.942 -13.765 1.00 12.96 C ATOM 134 CG ASP A 308 -2.483 6.936 -15.232 1.00 14.85 C ATOM 135 OD1 ASP A 308 -1.523 6.934 -16.057 1.00 14.78 O ATOM 136 OD2 ASP A 308 -3.696 6.965 -15.556 1.00 18.75 O ATOM 137 HA ASP A 308 -0.630 5.485 -13.923 1.00 0.00 H ATOM 138 HB2 ASP A 308 -2.924 6.302 -13.266 1.00 0.00 H ATOM 139 HB3 ASP A 308 -2.298 7.962 -13.395 1.00 0.00 H ATOM 140 H ASP A 308 -1.381 6.710 -11.360 1.00 0.00 H ATOM 141 N VAL A 309 1.219 7.007 -14.654 1.00 12.70 N ATOM 142 CA VAL A 309 2.289 7.888 -15.118 1.00 12.79 C ATOM 143 C VAL A 309 1.772 9.003 -16.042 1.00 11.95 C ATOM 144 O VAL A 309 2.412 10.041 -16.193 1.00 13.28 O ATOM 145 CB VAL A 309 3.398 7.118 -15.882 1.00 14.02 C ATOM 146 CG1 VAL A 309 2.832 6.422 -17.113 1.00 14.34 C ATOM 147 CG2 VAL A 309 4.507 8.051 -16.285 1.00 16.49 C ATOM 148 HA VAL A 309 2.703 8.326 -14.210 1.00 0.00 H ATOM 149 HB VAL A 309 3.800 6.359 -15.211 1.00 0.00 H ATOM 150 HG11 VAL A 309 2.062 5.714 -16.807 1.00 0.00 H ATOM 151 HG12 VAL A 309 2.398 7.165 -17.782 1.00 0.00 H ATOM 152 HG13 VAL A 309 3.632 5.891 -17.628 1.00 0.00 H ATOM 153 HG21 VAL A 309 4.107 8.831 -16.933 1.00 0.00 H ATOM 154 HG22 VAL A 309 4.940 8.505 -15.394 1.00 0.00 H ATOM 155 HG23 VAL A 309 5.275 7.491 -16.819 1.00 0.00 H ATOM 156 H VAL A 309 1.252 5.998 -14.903 1.00 0.00 H ATOM 157 N ASN A 310 0.603 8.804 -16.638 1.00 11.41 N ATOM 158 CA ASN A 310 0.009 9.857 -17.457 1.00 11.93 C ATOM 159 C ASN A 310 -0.582 11.018 -16.688 1.00 11.30 C ATOM 160 O ASN A 310 -0.896 12.054 -17.284 1.00 11.80 O ATOM 161 CB ASN A 310 -1.072 9.274 -18.363 1.00 12.93 C ATOM 162 CG ASN A 310 -0.519 8.332 -19.389 1.00 13.76 C ATOM 163 OD1 ASN A 310 0.614 8.444 -19.832 1.00 14.15 O ATOM 164 ND2 ASN A 310 -1.329 7.366 -19.760 1.00 18.23 N ATOM 165 HA ASN A 310 0.843 10.262 -18.030 1.00 0.00 H ATOM 166 HB2 ASN A 310 -1.792 8.735 -17.746 1.00 0.00 H ATOM 167 HB3 ASN A 310 -1.576 10.093 -18.876 1.00 0.00 H ATOM 168 HD22 ASN A 310 -2.286 7.307 -19.358 1.00 0.00 H ATOM 169 HD21 ASN A 310 -1.013 6.661 -20.456 1.00 0.00 H ATOM 170 H ASN A 310 0.109 7.896 -16.522 1.00 0.00 H ATOM 171 N ARG A 311 -0.767 10.859 -15.383 1.00 11.22 N ATOM 172 CA ARG A 311 -1.436 11.869 -14.604 1.00 12.01 C ATOM 173 C ARG A 311 -0.475 12.675 -13.767 1.00 12.16 C ATOM 174 O ARG A 311 0.415 12.128 -13.160 1.00 13.45 O ATOM 175 CB ARG A 311 -2.478 11.203 -13.698 1.00 13.53 C ATOM 176 CG ARG A 311 -3.492 10.359 -14.450 1.00 15.25 C ATOM 177 CD ARG A 311 -4.647 11.210 -15.045 1.00 17.64 C ATOM 178 NE ARG A 311 -4.231 12.080 -16.147 1.00 18.24 N ATOM 179 CZ ARG A 311 -4.265 11.766 -17.450 1.00 19.47 C ATOM 180 NH1 ARG A 311 -4.717 10.588 -17.894 1.00 20.62 N ATOM 181 NH2 ARG A 311 -3.852 12.653 -18.342 1.00 19.66 N ATOM 182 HA ARG A 311 -1.919 12.557 -15.297 1.00 0.00 H ATOM 183 HB2 ARG A 311 -1.957 10.562 -12.987 1.00 0.00 H ATOM 184 HB3 ARG A 311 -3.013 11.984 -13.157 1.00 0.00 H ATOM 185 HG2 ARG A 311 -2.983 9.842 -15.263 1.00 0.00 H ATOM 186 HG3 ARG A 311 -3.915 9.626 -13.764 1.00 0.00 H ATOM 187 HD2 ARG A 311 -5.060 11.833 -14.251 1.00 0.00 H ATOM 188 HD3 ARG A 311 -5.419 10.534 -15.413 1.00 0.00 H ATOM 189 HE ARG A 311 -3.878 13.026 -15.897 1.00 0.00 H ATOM 190 HH12 ARG A 311 -4.726 10.385 -18.914 1.00 0.00 H ATOM 191 HH11 ARG A 311 -5.060 9.875 -17.219 1.00 0.00 H ATOM 192 HH22 ARG A 311 -3.874 12.420 -19.355 1.00 0.00 H ATOM 193 HH21 ARG A 311 -3.506 13.582 -18.029 1.00 0.00 H ATOM 194 H ARG A 311 -0.425 9.994 -14.917 1.00 0.00 H ATOM 195 N LEU A 312 -0.718 13.977 -13.695 1.00 10.90 N ATOM 196 CA LEU A 312 -0.076 14.808 -12.670 1.00 11.10 C ATOM 197 C LEU A 312 -0.598 14.388 -11.295 1.00 12.04 C ATOM 198 O LEU A 312 -1.752 14.005 -11.171 1.00 13.41 O ATOM 199 CB LEU A 312 -0.384 16.298 -12.938 1.00 11.35 C ATOM 200 CG LEU A 312 0.167 16.894 -14.230 1.00 11.73 C ATOM 201 CD1 LEU A 312 -0.414 18.292 -14.462 1.00 12.56 C ATOM 202 CD2 LEU A 312 1.678 16.923 -14.246 1.00 10.97 C ATOM 203 HA LEU A 312 1.005 14.671 -12.700 1.00 0.00 H ATOM 204 HB2 LEU A 312 -1.468 16.412 -12.958 1.00 0.00 H ATOM 205 HB3 LEU A 312 0.026 16.874 -12.108 1.00 0.00 H ATOM 206 HG LEU A 312 -0.143 16.246 -15.050 1.00 0.00 H ATOM 207 HD21 LEU A 312 2.037 17.527 -13.413 1.00 0.00 H ATOM 208 HD22 LEU A 312 2.061 15.907 -14.151 1.00 0.00 H ATOM 209 HD23 LEU A 312 2.022 17.356 -15.186 1.00 0.00 H ATOM 210 HD11 LEU A 312 -1.499 18.225 -14.535 1.00 0.00 H ATOM 211 HD12 LEU A 312 -0.144 18.939 -13.628 1.00 0.00 H ATOM 212 HD13 LEU A 312 -0.011 18.703 -15.388 1.00 0.00 H ATOM 213 H LEU A 312 -1.373 14.415 -14.374 1.00 0.00 H ATOM 214 N CYS A 313 0.252 14.485 -10.272 1.00 10.21 N ATOM 215 CA CYS A 313 -0.173 14.218 -8.896 1.00 10.64 C ATOM 216 C CYS A 313 0.598 15.106 -7.939 1.00 10.62 C ATOM 217 O CYS A 313 1.800 14.989 -7.817 1.00 11.57 O ATOM 218 CB CYS A 313 0.038 12.756 -8.512 1.00 10.51 C ATOM 219 SG CYS A 313 -0.722 12.419 -6.922 1.00 11.39 S ATOM 220 HA CYS A 313 -1.239 14.434 -8.832 1.00 0.00 H ATOM 221 HB2 CYS A 313 1.107 12.549 -8.452 1.00 0.00 H ATOM 222 HB3 CYS A 313 -0.413 12.115 -9.270 1.00 0.00 H ATOM 223 HG CYS A 313 -2.076 12.677 -6.997 1.00 0.00 H ATOM 224 H CYS A 313 1.239 14.756 -10.455 1.00 0.00 H ATOM 225 N ARG A 314 -0.129 15.966 -7.240 1.00 9.91 N ATOM 226 CA ARG A 314 0.487 16.855 -6.294 1.00 9.80 C ATOM 227 C ARG A 314 0.713 16.209 -4.933 1.00 9.64 C ATOM 228 O ARG A 314 1.205 16.850 -4.008 1.00 10.61 O ATOM 229 CB ARG A 314 -0.328 18.145 -6.182 1.00 10.21 C ATOM 230 CG ARG A 314 -0.349 18.974 -7.502 1.00 14.49 C ATOM 231 CD ARG A 314 -1.171 20.264 -7.371 1.00 19.41 C ATOM 232 NE ARG A 314 -0.523 21.172 -6.433 1.00 25.37 N ATOM 233 CZ ARG A 314 -1.069 21.775 -5.366 1.00 27.82 C ATOM 234 NH1 ARG A 314 -2.359 21.669 -5.077 1.00 28.88 N ATOM 235 NH2 ARG A 314 -0.302 22.556 -4.600 1.00 29.23 N ATOM 236 HA ARG A 314 1.480 17.099 -6.671 1.00 0.00 H ATOM 237 HB2 ARG A 314 -1.353 17.886 -5.919 1.00 0.00 H ATOM 238 HB3 ARG A 314 0.104 18.761 -5.393 1.00 0.00 H ATOM 239 HG2 ARG A 314 0.675 19.237 -7.767 1.00 0.00 H ATOM 240 HG3 ARG A 314 -0.782 18.362 -8.293 1.00 0.00 H ATOM 241 HD2 ARG A 314 -2.170 20.021 -7.008 1.00 0.00 H ATOM 242 HD3 ARG A 314 -1.247 20.745 -8.346 1.00 0.00 H ATOM 243 HE ARG A 314 0.481 21.377 -6.612 1.00 0.00 H ATOM 244 HH12 ARG A 314 -2.746 22.151 -4.241 1.00 0.00 H ATOM 245 HH11 ARG A 314 -2.984 21.104 -5.687 1.00 0.00 H ATOM 246 HH22 ARG A 314 -0.709 23.031 -3.769 1.00 0.00 H ATOM 247 HH21 ARG A 314 0.702 22.689 -4.834 1.00 0.00 H ATOM 248 H ARG A 314 -1.159 15.998 -7.378 1.00 0.00 H ATOM 249 N VAL A 315 0.309 14.944 -4.794 1.00 10.43 N ATOM 250 CA VAL A 315 0.510 14.215 -3.542 1.00 10.60 C ATOM 251 C VAL A 315 1.798 13.379 -3.565 1.00 11.17 C ATOM 252 O VAL A 315 2.573 13.442 -2.616 1.00 13.29 O ATOM 253 CB VAL A 315 -0.674 13.292 -3.228 1.00 10.68 C ATOM 254 CG1 VAL A 315 -0.495 12.650 -1.832 1.00 11.32 C ATOM 255 CG2 VAL A 315 -1.974 14.063 -3.338 1.00 11.45 C ATOM 256 HA VAL A 315 0.593 14.973 -2.763 1.00 0.00 H ATOM 257 HB VAL A 315 -0.709 12.482 -3.956 1.00 0.00 H ATOM 258 HG11 VAL A 315 0.426 12.068 -1.817 1.00 0.00 H ATOM 259 HG12 VAL A 315 -0.443 13.434 -1.077 1.00 0.00 H ATOM 260 HG13 VAL A 315 -1.343 11.997 -1.622 1.00 0.00 H ATOM 261 HG21 VAL A 315 -1.965 14.891 -2.629 1.00 0.00 H ATOM 262 HG22 VAL A 315 -2.080 14.452 -4.351 1.00 0.00 H ATOM 263 HG23 VAL A 315 -2.809 13.399 -3.113 1.00 0.00 H ATOM 264 H VAL A 315 -0.158 14.468 -5.592 1.00 0.00 H ATOM 265 N CYS A 316 1.989 12.602 -4.635 1.00 10.66 N ATOM 266 CA CYS A 316 3.159 11.728 -4.740 1.00 10.37 C ATOM 267 C CYS A 316 4.249 12.267 -5.639 1.00 11.71 C ATOM 268 O CYS A 316 5.355 11.742 -5.637 1.00 14.31 O ATOM 269 CB CYS A 316 2.805 10.297 -5.160 1.00 10.84 C ATOM 270 SG CYS A 316 2.232 10.089 -6.823 1.00 11.46 S ATOM 271 HA CYS A 316 3.553 11.703 -3.724 1.00 0.00 H ATOM 272 HB2 CYS A 316 2.023 9.938 -4.491 1.00 0.00 H ATOM 273 HB3 CYS A 316 3.697 9.683 -5.036 1.00 0.00 H ATOM 274 HG CYS A 316 1.956 8.756 -7.049 1.00 0.00 H ATOM 275 H CYS A 316 1.293 12.618 -5.408 1.00 0.00 H ATOM 276 N ALA A 317 3.967 13.315 -6.398 1.00 10.42 N ATOM 277 CA ALA A 317 4.986 13.952 -7.243 1.00 9.98 C ATOM 278 C ALA A 317 5.144 15.426 -6.798 1.00 9.91 C ATOM 279 O ALA A 317 4.855 15.754 -5.650 1.00 11.06 O ATOM 280 CB ALA A 317 4.627 13.779 -8.730 1.00 10.18 C ATOM 281 HA ALA A 317 5.958 13.473 -7.121 1.00 0.00 H ATOM 282 HB1 ALA A 317 4.577 12.717 -8.969 1.00 0.00 H ATOM 283 HB2 ALA A 317 3.660 14.242 -8.925 1.00 0.00 H ATOM 284 HB3 ALA A 317 5.391 14.256 -9.345 1.00 0.00 H ATOM 285 H ALA A 317 3.000 13.697 -6.396 1.00 0.00 H ATOM 286 N CYS A 318 5.605 16.328 -7.658 1.00 8.65 N ATOM 287 CA CYS A 318 5.865 17.701 -7.200 1.00 9.09 C ATOM 288 C CYS A 318 4.572 18.329 -6.705 1.00 9.15 C ATOM 289 O CYS A 318 3.561 18.328 -7.403 1.00 10.24 O ATOM 290 CB CYS A 318 6.483 18.533 -8.311 1.00 9.86 C ATOM 291 SG CYS A 318 6.752 20.250 -7.860 1.00 10.01 S ATOM 292 HA CYS A 318 6.578 17.670 -6.376 1.00 0.00 H ATOM 293 HB2 CYS A 318 5.818 18.503 -9.174 1.00 0.00 H ATOM 294 HB3 CYS A 318 7.443 18.092 -8.578 1.00 0.00 H ATOM 295 HG CYS A 318 7.313 20.922 -8.927 1.00 0.00 H ATOM 296 H CYS A 318 5.781 16.065 -8.649 1.00 0.00 H ATOM 297 N HIS A 319 4.626 18.860 -5.491 1.00 9.37 N ATOM 298 CA HIS A 319 3.443 19.416 -4.863 1.00 9.92 C ATOM 299 C HIS A 319 2.973 20.683 -5.560 1.00 11.56 C ATOM 300 O HIS A 319 1.799 21.048 -5.444 1.00 12.75 O ATOM 301 CB HIS A 319 3.690 19.645 -3.361 1.00 10.08 C ATOM 302 CG HIS A 319 2.467 20.032 -2.593 1.00 9.40 C ATOM 303 ND1 HIS A 319 1.321 19.271 -2.570 1.00 9.36 N ATOM 304 CD2 HIS A 319 2.217 21.102 -1.805 1.00 9.13 C ATOM 305 CE1 HIS A 319 0.419 19.844 -1.794 1.00 8.62 C ATOM 306 NE2 HIS A 319 0.927 20.970 -1.338 1.00 8.40 N ATOM 307 HA HIS A 319 2.635 18.691 -4.965 1.00 0.00 H ATOM 308 HB2 HIS A 319 4.085 18.723 -2.934 1.00 0.00 H ATOM 309 HB3 HIS A 319 4.428 20.440 -3.252 1.00 0.00 H ATOM 310 HD2 HIS A 319 2.906 21.916 -1.581 1.00 0.00 H ATOM 311 HE1 HIS A 319 -0.573 19.453 -1.570 1.00 0.00 H ATOM 312 H HIS A 319 5.532 18.878 -4.981 1.00 0.00 H ATOM 313 N LEU A 320 3.874 21.339 -6.280 1.00 11.57 N ATOM 314 CA LEU A 320 3.547 22.588 -6.956 1.00 12.66 C ATOM 315 C LEU A 320 3.009 22.345 -8.352 1.00 12.21 C ATOM 316 O LEU A 320 2.009 22.944 -8.723 1.00 14.02 O ATOM 317 CB LEU A 320 4.761 23.521 -6.977 1.00 12.86 C ATOM 318 CG LEU A 320 5.237 23.959 -5.602 1.00 14.48 C ATOM 319 CD1 LEU A 320 6.627 24.639 -5.657 1.00 15.39 C ATOM 320 CD2 LEU A 320 4.162 24.880 -4.995 1.00 17.34 C ATOM 321 HA LEU A 320 2.753 23.077 -6.392 1.00 0.00 H ATOM 322 HB2 LEU A 320 5.581 23.003 -7.474 1.00 0.00 H ATOM 323 HB3 LEU A 320 4.497 24.412 -7.547 1.00 0.00 H ATOM 324 HG LEU A 320 5.369 23.085 -4.964 1.00 0.00 H ATOM 325 HD21 LEU A 320 4.023 25.748 -5.639 1.00 0.00 H ATOM 326 HD22 LEU A 320 3.222 24.334 -4.912 1.00 0.00 H ATOM 327 HD23 LEU A 320 4.482 25.208 -4.006 1.00 0.00 H ATOM 328 HD11 LEU A 320 7.357 23.939 -6.063 1.00 0.00 H ATOM 329 HD12 LEU A 320 6.574 25.521 -6.296 1.00 0.00 H ATOM 330 HD13 LEU A 320 6.925 24.935 -4.651 1.00 0.00 H ATOM 331 H LEU A 320 4.836 20.953 -6.364 1.00 0.00 H ATOM 332 N CYS A 321 3.668 21.513 -9.144 1.00 11.94 N ATOM 333 CA CYS A 321 3.295 21.309 -10.550 1.00 10.51 C ATOM 334 C CYS A 321 2.671 19.951 -10.859 1.00 10.90 C ATOM 335 O CYS A 321 2.084 19.773 -11.922 1.00 10.70 O ATOM 336 CB CYS A 321 4.482 21.553 -11.498 1.00 10.65 C ATOM 337 SG CYS A 321 5.717 20.236 -11.535 1.00 11.02 S ATOM 338 HA CYS A 321 2.519 22.054 -10.724 1.00 0.00 H ATOM 339 HB2 CYS A 321 4.978 22.473 -11.188 1.00 0.00 H ATOM 340 HB3 CYS A 321 4.089 21.676 -12.507 1.00 0.00 H ATOM 341 HG CYS A 321 6.722 20.575 -12.418 1.00 0.00 H ATOM 342 H CYS A 321 4.477 20.986 -8.757 1.00 0.00 H ATOM 343 N GLY A 322 2.820 18.997 -9.943 1.00 10.92 N ATOM 344 CA GLY A 322 2.310 17.637 -10.097 1.00 10.22 C ATOM 345 C GLY A 322 3.128 16.762 -11.031 1.00 10.39 C ATOM 346 O GLY A 322 2.791 15.603 -11.271 1.00 10.78 O ATOM 347 HA3 GLY A 322 1.294 17.696 -10.487 1.00 0.00 H ATOM 348 HA2 GLY A 322 2.294 17.165 -9.114 1.00 0.00 H ATOM 349 H GLY A 322 3.329 19.233 -9.067 1.00 0.00 H ATOM 350 N GLY A 323 4.233 17.295 -11.517 1.00 10.72 N ATOM 351 CA GLY A 323 5.046 16.587 -12.485 1.00 10.45 C ATOM 352 C GLY A 323 5.897 15.510 -11.831 1.00 9.99 C ATOM 353 O GLY A 323 6.410 15.679 -10.728 1.00 10.89 O ATOM 354 HA3 GLY A 323 5.702 17.300 -12.984 1.00 0.00 H ATOM 355 HA2 GLY A 323 4.392 16.121 -13.221 1.00 0.00 H ATOM 356 H GLY A 323 4.526 18.241 -11.199 1.00 0.00 H ATOM 357 N ARG A 324 6.064 14.410 -12.552 1.00 10.00 N ATOM 358 CA ARG A 324 6.710 13.209 -12.022 1.00 9.83 C ATOM 359 C ARG A 324 8.163 13.101 -12.356 1.00 10.18 C ATOM 360 O ARG A 324 8.873 12.281 -11.810 1.00 10.95 O ATOM 361 CB ARG A 324 6.020 11.929 -12.540 1.00 9.60 C ATOM 362 CG ARG A 324 4.568 11.849 -12.247 1.00 11.24 C ATOM 363 CD ARG A 324 3.993 10.562 -12.755 1.00 13.71 C ATOM 364 NE ARG A 324 2.606 10.493 -12.415 1.00 14.68 N ATOM 365 CZ ARG A 324 2.117 10.076 -11.250 1.00 11.96 C ATOM 366 NH1 ARG A 324 2.866 9.516 -10.329 1.00 15.27 N ATOM 367 NH2 ARG A 324 0.835 10.111 -11.076 1.00 15.81 N ATOM 368 HA ARG A 324 6.612 13.304 -10.941 1.00 0.00 H ATOM 369 HB2 ARG A 324 6.152 11.885 -13.621 1.00 0.00 H ATOM 370 HB3 ARG A 324 6.508 11.069 -12.080 1.00 0.00 H ATOM 371 HG2 ARG A 324 4.417 11.908 -11.169 1.00 0.00 H ATOM 372 HG3 ARG A 324 4.059 12.683 -12.730 1.00 0.00 H ATOM 373 HD2 ARG A 324 4.521 9.723 -12.301 1.00 0.00 H ATOM 374 HD3 ARG A 324 4.105 10.516 -13.838 1.00 0.00 H ATOM 375 HE ARG A 324 1.922 10.794 -13.139 1.00 0.00 H ATOM 376 HH12 ARG A 324 2.442 9.205 -9.432 1.00 0.00 H ATOM 377 HH11 ARG A 324 3.884 9.384 -10.496 1.00 0.00 H ATOM 378 HH22 ARG A 324 0.423 9.792 -10.176 1.00 0.00 H ATOM 379 HH21 ARG A 324 0.216 10.459 -11.836 1.00 0.00 H ATOM 380 H ARG A 324 5.722 14.400 -13.534 1.00 0.00 H ATOM 381 N GLN A 325 8.637 13.896 -13.293 1.00 9.99 N ATOM 382 CA GLN A 325 10.019 13.760 -13.693 1.00 10.29 C ATOM 383 C GLN A 325 11.000 14.296 -12.639 1.00 10.66 C ATOM 384 O GLN A 325 10.599 14.982 -11.688 1.00 11.38 O ATOM 385 CB GLN A 325 10.208 14.301 -15.112 1.00 12.37 C ATOM 386 CG GLN A 325 9.589 13.341 -16.234 1.00 14.25 C ATOM 387 CD GLN A 325 8.027 13.199 -16.269 1.00 13.14 C ATOM 388 OE1 GLN A 325 7.268 14.181 -16.616 1.00 13.31 O ATOM 389 NE2 GLN A 325 7.545 11.948 -15.941 1.00 12.08 N ATOM 390 HA GLN A 325 10.277 12.702 -13.740 1.00 0.00 H ATOM 391 HB2 GLN A 325 9.722 15.274 -15.181 1.00 0.00 H ATOM 392 HB3 GLN A 325 11.275 14.415 -15.302 1.00 0.00 H ATOM 393 HG2 GLN A 325 9.906 13.722 -17.205 1.00 0.00 H ATOM 394 HG3 GLN A 325 10.006 12.346 -16.082 1.00 0.00 H ATOM 395 HE22 GLN A 325 8.205 11.192 -15.668 1.00 0.00 H ATOM 396 HE21 GLN A 325 6.522 11.762 -15.967 1.00 0.00 H ATOM 397 H GLN A 325 8.026 14.610 -13.738 1.00 0.00 H ATOM 398 N ASP A 326 12.263 13.914 -12.774 1.00 10.08 N ATOM 399 CA ASP A 326 13.322 14.428 -11.894 1.00 10.69 C ATOM 400 C ASP A 326 13.037 14.267 -10.387 1.00 10.70 C ATOM 401 O ASP A 326 13.175 15.223 -9.613 1.00 12.41 O ATOM 402 CB ASP A 326 13.568 15.912 -12.188 1.00 10.64 C ATOM 403 CG ASP A 326 14.118 16.163 -13.555 1.00 10.59 C ATOM 404 OD1 ASP A 326 14.781 15.287 -14.124 1.00 12.21 O ATOM 405 OD2 ASP A 326 13.907 17.300 -14.055 1.00 11.85 O ATOM 406 HA ASP A 326 14.201 13.822 -12.114 1.00 0.00 H ATOM 407 HB2 ASP A 326 12.622 16.445 -12.093 1.00 0.00 H ATOM 408 HB3 ASP A 326 14.276 16.297 -11.454 1.00 0.00 H ATOM 409 H ASP A 326 12.510 13.234 -13.521 1.00 0.00 H ATOM 410 N PRO A 327 12.699 13.049 -9.935 1.00 11.76 N ATOM 411 CA PRO A 327 12.483 12.883 -8.500 1.00 11.84 C ATOM 412 C PRO A 327 13.774 13.063 -7.674 1.00 11.95 C ATOM 413 O PRO A 327 13.714 13.364 -6.477 1.00 12.69 O ATOM 414 CB PRO A 327 11.950 11.454 -8.396 1.00 11.57 C ATOM 415 CG PRO A 327 12.534 10.772 -9.592 1.00 12.30 C ATOM 416 CD PRO A 327 12.460 11.800 -10.670 1.00 11.96 C ATOM 417 HA PRO A 327 11.805 13.634 -8.096 1.00 0.00 H ATOM 418 HD3 PRO A 327 13.227 11.634 -11.426 1.00 0.00 H ATOM 419 HD2 PRO A 327 11.479 11.804 -11.145 1.00 0.00 H ATOM 420 HG3 PRO A 327 11.951 9.890 -9.858 1.00 0.00 H ATOM 421 HG2 PRO A 327 13.568 10.481 -9.405 1.00 0.00 H ATOM 422 HB2 PRO A 327 12.286 10.979 -7.474 1.00 0.00 H ATOM 423 HB3 PRO A 327 10.861 11.441 -8.434 1.00 0.00 H ATOM 424 N ASP A 328 14.922 12.903 -8.322 1.00 12.45 N ATOM 425 CA ASP A 328 16.209 13.178 -7.701 1.00 12.33 C ATOM 426 C ASP A 328 16.454 14.652 -7.445 1.00 11.72 C ATOM 427 O ASP A 328 17.375 15.010 -6.708 1.00 13.25 O ATOM 428 CB ASP A 328 17.361 12.627 -8.541 1.00 12.55 C ATOM 429 CG ASP A 328 17.297 13.069 -9.986 1.00 13.74 C ATOM 430 OD1 ASP A 328 16.237 12.846 -10.605 1.00 15.53 O ATOM 431 OD2 ASP A 328 18.310 13.590 -10.465 1.00 17.32 O ATOM 432 HA ASP A 328 16.172 12.673 -6.736 1.00 0.00 H ATOM 433 HB2 ASP A 328 18.302 12.973 -8.112 1.00 0.00 H ATOM 434 HB3 ASP A 328 17.327 11.538 -8.508 1.00 0.00 H ATOM 435 H ASP A 328 14.901 12.570 -9.307 1.00 0.00 H ATOM 436 N LYS A 329 15.602 15.511 -8.024 1.00 10.95 N ATOM 437 CA LYS A 329 15.656 16.951 -7.816 1.00 11.27 C ATOM 438 C LYS A 329 14.409 17.478 -7.117 1.00 10.79 C ATOM 439 O LYS A 329 14.135 18.674 -7.156 1.00 12.18 O ATOM 440 CB LYS A 329 15.791 17.652 -9.158 1.00 11.83 C ATOM 441 CG LYS A 329 17.024 17.240 -9.915 1.00 14.63 C ATOM 442 CD LYS A 329 17.165 17.978 -11.224 1.00 17.66 C ATOM 443 CE LYS A 329 18.433 17.571 -11.948 1.00 21.14 C ATOM 444 NZ LYS A 329 18.362 18.002 -13.363 1.00 23.65 N ATOM 445 HA LYS A 329 16.517 17.155 -7.179 1.00 0.00 H ATOM 446 HB2 LYS A 329 14.916 17.415 -9.763 1.00 0.00 H ATOM 447 HB3 LYS A 329 15.832 18.728 -8.986 1.00 0.00 H ATOM 448 HG2 LYS A 329 17.899 17.447 -9.299 1.00 0.00 H ATOM 449 HG3 LYS A 329 16.970 16.171 -10.119 1.00 0.00 H ATOM 450 HD2 LYS A 329 16.306 17.751 -11.855 1.00 0.00 H ATOM 451 HD3 LYS A 329 17.196 19.050 -11.027 1.00 0.00 H ATOM 452 HE2 LYS A 329 18.543 16.487 -11.904 1.00 0.00 H ATOM 453 HE3 LYS A 329 19.291 18.042 -11.468 1.00 0.00 H ATOM 454 HZ1 LYS A 329 17.544 17.552 -13.821 1.00 0.00 H ATOM 455 HZ2 LYS A 329 18.258 19.036 -13.404 1.00 0.00 H ATOM 456 HZ3 LYS A 329 19.234 17.720 -13.854 1.00 0.00 H ATOM 457 H LYS A 329 14.866 15.130 -8.653 1.00 0.00 H ATOM 458 N GLN A 330 13.655 16.581 -6.503 1.00 10.86 N ATOM 459 CA GLN A 330 12.490 16.938 -5.697 1.00 10.74 C ATOM 460 C GLN A 330 12.905 16.865 -4.231 1.00 10.96 C ATOM 461 O GLN A 330 13.229 15.804 -3.704 1.00 12.79 O ATOM 462 CB GLN A 330 11.305 16.001 -5.967 1.00 10.63 C ATOM 463 CG GLN A 330 10.722 16.109 -7.396 1.00 10.54 C ATOM 464 CD GLN A 330 9.537 15.174 -7.632 1.00 12.01 C ATOM 465 OE1 GLN A 330 8.742 14.940 -6.718 1.00 15.00 O ATOM 466 NE2 GLN A 330 9.388 14.678 -8.849 1.00 13.78 N ATOM 467 HA GLN A 330 12.159 17.943 -5.957 1.00 0.00 H ATOM 468 HB2 GLN A 330 11.638 14.975 -5.810 1.00 0.00 H ATOM 469 HB3 GLN A 330 10.513 16.237 -5.256 1.00 0.00 H ATOM 470 HG2 GLN A 330 10.393 17.135 -7.560 1.00 0.00 H ATOM 471 HG3 GLN A 330 11.507 15.862 -8.111 1.00 0.00 H ATOM 472 HE22 GLN A 330 10.083 14.901 -9.590 1.00 0.00 H ATOM 473 HE21 GLN A 330 8.576 14.065 -9.065 1.00 0.00 H ATOM 474 H GLN A 330 13.903 15.576 -6.598 1.00 0.00 H ATOM 475 N LEU A 331 12.941 18.021 -3.596 1.00 11.71 N ATOM 476 CA LEU A 331 13.238 18.093 -2.161 1.00 11.45 C ATOM 477 C LEU A 331 12.053 17.688 -1.311 1.00 11.24 C ATOM 478 O LEU A 331 10.909 18.012 -1.650 1.00 12.68 O ATOM 479 CB LEU A 331 13.584 19.507 -1.782 1.00 12.24 C ATOM 480 CG LEU A 331 14.646 20.231 -2.553 1.00 11.92 C ATOM 481 CD1 LEU A 331 14.911 21.608 -1.897 1.00 13.30 C ATOM 482 CD2 LEU A 331 15.912 19.362 -2.609 1.00 13.03 C ATOM 483 HA LEU A 331 14.067 17.409 -1.980 1.00 0.00 H ATOM 484 HB2 LEU A 331 12.670 20.094 -1.871 1.00 0.00 H ATOM 485 HB3 LEU A 331 13.903 19.489 -0.740 1.00 0.00 H ATOM 486 HG LEU A 331 14.320 20.412 -3.577 1.00 0.00 H ATOM 487 HD21 LEU A 331 16.263 19.168 -1.596 1.00 0.00 H ATOM 488 HD22 LEU A 331 15.681 18.418 -3.102 1.00 0.00 H ATOM 489 HD23 LEU A 331 16.686 19.886 -3.169 1.00 0.00 H ATOM 490 HD11 LEU A 331 13.992 22.195 -1.903 1.00 0.00 H ATOM 491 HD12 LEU A 331 15.243 21.462 -0.869 1.00 0.00 H ATOM 492 HD13 LEU A 331 15.683 22.134 -2.458 1.00 0.00 H ATOM 493 H LEU A 331 12.755 18.898 -4.123 1.00 0.00 H ATOM 494 N MET A 332 12.320 16.954 -0.234 1.00 11.56 N ATOM 495 CA MET A 332 11.291 16.593 0.733 1.00 11.64 C ATOM 496 C MET A 332 11.270 17.557 1.887 1.00 10.94 C ATOM 497 O MET A 332 12.270 17.762 2.561 1.00 12.69 O ATOM 498 CB MET A 332 11.509 15.177 1.284 1.00 12.58 C ATOM 499 CG MET A 332 11.603 14.123 0.262 1.00 14.38 C ATOM 500 SD MET A 332 10.215 13.993 -0.884 1.00 17.54 S ATOM 501 CE MET A 332 8.837 13.629 0.186 1.00 16.91 C ATOM 502 HA MET A 332 10.339 16.632 0.204 1.00 0.00 H ATOM 503 HB2 MET A 332 12.435 15.176 1.859 1.00 0.00 H ATOM 504 HB3 MET A 332 10.674 14.937 1.943 1.00 0.00 H ATOM 505 HG2 MET A 332 11.698 13.168 0.778 1.00 0.00 H ATOM 506 HG3 MET A 332 12.502 14.309 -0.325 1.00 0.00 H ATOM 507 HE1 MET A 332 9.028 12.697 0.718 1.00 0.00 H ATOM 508 HE2 MET A 332 8.712 14.440 0.904 1.00 0.00 H ATOM 509 HE3 MET A 332 7.931 13.528 -0.412 1.00 0.00 H ATOM 510 H MET A 332 13.295 16.627 -0.077 1.00 0.00 H ATOM 511 N CYS A 333 10.098 18.097 2.171 1.00 10.61 N ATOM 512 CA CYS A 333 9.948 19.011 3.300 1.00 9.97 C ATOM 513 C CYS A 333 9.967 18.277 4.642 1.00 9.91 C ATOM 514 O CYS A 333 9.262 17.297 4.810 1.00 11.24 O ATOM 515 CB CYS A 333 8.620 19.756 3.178 1.00 10.84 C ATOM 516 SG CYS A 333 8.292 20.845 4.577 1.00 11.23 S ATOM 517 HA CYS A 333 10.791 19.702 3.273 1.00 0.00 H ATOM 518 HB2 CYS A 333 7.815 19.024 3.111 1.00 0.00 H ATOM 519 HB3 CYS A 333 8.640 20.356 2.268 1.00 0.00 H ATOM 520 HG CYS A 333 7.080 21.478 4.391 1.00 0.00 H ATOM 521 H CYS A 333 9.271 17.868 1.583 1.00 0.00 H ATOM 522 N ASP A 334 10.731 18.769 5.614 1.00 9.45 N ATOM 523 CA ASP A 334 10.844 18.080 6.901 1.00 9.15 C ATOM 524 C ASP A 334 9.707 18.371 7.873 1.00 10.19 C ATOM 525 O ASP A 334 9.754 17.882 8.989 1.00 11.14 O ATOM 526 CB ASP A 334 12.228 18.387 7.482 1.00 10.07 C ATOM 527 CG ASP A 334 13.316 17.668 6.699 1.00 8.64 C ATOM 528 OD1 ASP A 334 13.278 16.418 6.622 1.00 12.56 O ATOM 529 OD2 ASP A 334 14.176 18.319 6.117 1.00 11.03 O ATOM 530 HA ASP A 334 10.744 17.008 6.729 1.00 0.00 H ATOM 531 HB2 ASP A 334 12.405 19.462 7.435 1.00 0.00 H ATOM 532 HB3 ASP A 334 12.260 18.060 8.521 1.00 0.00 H ATOM 533 H ASP A 334 11.254 19.654 5.458 1.00 0.00 H ATOM 534 N GLU A 335 8.703 19.141 7.454 1.00 10.57 N ATOM 535 CA GLU A 335 7.454 19.253 8.201 1.00 10.88 C ATOM 536 C GLU A 335 6.366 18.416 7.546 1.00 10.91 C ATOM 537 O GLU A 335 5.883 17.458 8.147 1.00 11.44 O ATOM 538 CB GLU A 335 6.989 20.704 8.308 1.00 10.97 C ATOM 539 CG GLU A 335 5.668 20.918 9.088 1.00 12.60 C ATOM 540 CD GLU A 335 5.719 20.371 10.504 1.00 15.88 C ATOM 541 OE1 GLU A 335 6.780 20.470 11.162 1.00 18.68 O ATOM 542 OE2 GLU A 335 4.687 19.844 10.963 1.00 19.09 O ATOM 543 HA GLU A 335 7.643 18.880 9.208 1.00 0.00 H ATOM 544 HB2 GLU A 335 7.772 21.273 8.808 1.00 0.00 H ATOM 545 HB3 GLU A 335 6.851 21.089 7.298 1.00 0.00 H ATOM 546 HG2 GLU A 335 5.462 21.987 9.136 1.00 0.00 H ATOM 547 HG3 GLU A 335 4.862 20.418 8.551 1.00 0.00 H ATOM 548 H GLU A 335 8.813 19.677 6.570 1.00 0.00 H ATOM 549 N CYS A 336 5.974 18.759 6.322 1.00 10.57 N ATOM 550 CA CYS A 336 4.837 18.088 5.672 1.00 10.57 C ATOM 551 C CYS A 336 5.179 16.814 4.904 1.00 11.14 C ATOM 552 O CYS A 336 4.297 16.045 4.580 1.00 11.69 O ATOM 553 CB CYS A 336 4.095 19.057 4.767 1.00 10.61 C ATOM 554 SG CYS A 336 5.011 19.560 3.311 1.00 12.66 S ATOM 555 HA CYS A 336 4.200 17.763 6.495 1.00 0.00 H ATOM 556 HB2 CYS A 336 3.857 19.950 5.345 1.00 0.00 H ATOM 557 HB3 CYS A 336 3.171 18.580 4.441 1.00 0.00 H ATOM 558 HG CYS A 336 6.180 20.184 3.698 1.00 0.00 H ATOM 559 H CYS A 336 6.480 19.514 5.816 1.00 0.00 H ATOM 560 N ASP A 337 6.462 16.619 4.597 1.00 11.04 N ATOM 561 CA ASP A 337 6.954 15.477 3.799 1.00 11.63 C ATOM 562 C ASP A 337 6.441 15.402 2.347 1.00 11.15 C ATOM 563 O ASP A 337 6.454 14.347 1.738 1.00 12.05 O ATOM 564 CB ASP A 337 6.731 14.127 4.498 1.00 12.02 C ATOM 565 CG ASP A 337 7.825 13.109 4.140 1.00 12.78 C ATOM 566 OD1 ASP A 337 8.986 13.545 3.957 1.00 17.26 O ATOM 567 OD2 ASP A 337 7.560 11.898 4.048 1.00 13.76 O ATOM 568 HA ASP A 337 8.023 15.680 3.729 1.00 0.00 H ATOM 569 HB2 ASP A 337 6.734 14.284 5.577 1.00 0.00 H ATOM 570 HB3 ASP A 337 5.764 13.727 4.193 1.00 0.00 H ATOM 571 H ASP A 337 7.158 17.312 4.940 1.00 0.00 H ATOM 572 N MET A 338 6.038 16.525 1.794 1.00 10.21 N ATOM 573 CA MET A 338 5.786 16.626 0.387 1.00 10.04 C ATOM 574 C MET A 338 7.041 16.968 -0.395 1.00 9.71 C ATOM 575 O MET A 338 8.048 17.402 0.169 1.00 8.68 O ATOM 576 CB MET A 338 4.741 17.658 0.184 1.00 10.30 C ATOM 577 CG MET A 338 3.617 17.350 1.171 1.00 12.75 C ATOM 578 SD MET A 338 2.012 17.469 0.571 1.00 15.97 S ATOM 579 CE MET A 338 2.254 16.269 -0.638 1.00 7.91 C ATOM 580 HA MET A 338 5.448 15.660 0.013 1.00 0.00 H ATOM 581 HB2 MET A 338 5.150 18.650 0.378 1.00 0.00 H ATOM 582 HB3 MET A 338 4.365 17.615 -0.838 1.00 0.00 H ATOM 583 HG2 MET A 338 3.710 18.044 2.006 1.00 0.00 H ATOM 584 HG3 MET A 338 3.762 16.331 1.530 1.00 0.00 H ATOM 585 HE1 MET A 338 3.052 16.587 -1.309 1.00 0.00 H ATOM 586 HE2 MET A 338 2.530 15.327 -0.163 1.00 0.00 H ATOM 587 HE3 MET A 338 1.333 16.135 -1.205 1.00 0.00 H ATOM 588 H MET A 338 5.898 17.363 2.394 1.00 0.00 H ATOM 589 N ALA A 339 6.941 16.801 -1.712 1.00 10.98 N ATOM 590 CA ALA A 339 8.068 16.871 -2.625 1.00 10.87 C ATOM 591 C ALA A 339 7.961 18.094 -3.514 1.00 10.72 C ATOM 592 O ALA A 339 6.856 18.467 -3.913 1.00 10.21 O ATOM 593 CB ALA A 339 8.148 15.617 -3.445 1.00 11.92 C ATOM 594 HA ALA A 339 8.985 16.960 -2.042 1.00 0.00 H ATOM 595 HB1 ALA A 339 8.276 14.760 -2.784 1.00 0.00 H ATOM 596 HB2 ALA A 339 7.229 15.501 -4.019 1.00 0.00 H ATOM 597 HB3 ALA A 339 8.997 15.683 -4.125 1.00 0.00 H ATOM 598 H ALA A 339 6.000 16.609 -2.111 1.00 0.00 H ATOM 599 N PHE A 340 9.103 18.734 -3.793 1.00 10.07 N ATOM 600 CA PHE A 340 9.111 19.996 -4.535 1.00 10.51 C ATOM 601 C PHE A 340 10.278 20.043 -5.513 1.00 11.30 C ATOM 602 O PHE A 340 11.429 20.010 -5.081 1.00 11.17 O ATOM 603 CB PHE A 340 9.283 21.149 -3.536 1.00 11.47 C ATOM 604 CG PHE A 340 8.137 21.279 -2.567 1.00 11.07 C ATOM 605 CD1 PHE A 340 7.121 22.181 -2.800 1.00 10.58 C ATOM 606 CD2 PHE A 340 8.054 20.456 -1.459 1.00 11.29 C ATOM 607 CE1 PHE A 340 6.052 22.273 -1.936 1.00 11.31 C ATOM 608 CE2 PHE A 340 6.989 20.555 -0.596 1.00 10.43 C ATOM 609 CZ PHE A 340 5.989 21.462 -0.832 1.00 10.97 C ATOM 610 HA PHE A 340 8.175 20.082 -5.088 1.00 0.00 H ATOM 611 HB2 PHE A 340 10.198 20.981 -2.968 1.00 0.00 H ATOM 612 HB3 PHE A 340 9.370 22.081 -4.095 1.00 0.00 H ATOM 613 HD2 PHE A 340 8.839 19.724 -1.269 1.00 0.00 H ATOM 614 HE2 PHE A 340 6.939 19.909 0.281 1.00 0.00 H ATOM 615 HZ PHE A 340 5.147 21.538 -0.145 1.00 0.00 H ATOM 616 HE1 PHE A 340 5.255 22.991 -2.130 1.00 0.00 H ATOM 617 HD1 PHE A 340 7.164 22.828 -3.676 1.00 0.00 H ATOM 618 H PHE A 340 10.005 18.325 -3.475 1.00 0.00 H ATOM 619 N HIS A 341 10.020 20.087 -6.813 1.00 10.78 N ATOM 620 CA HIS A 341 11.145 20.294 -7.730 1.00 10.53 C ATOM 621 C HIS A 341 11.959 21.527 -7.276 1.00 11.63 C ATOM 622 O HIS A 341 11.358 22.577 -7.005 1.00 11.21 O ATOM 623 CB HIS A 341 10.680 20.560 -9.146 1.00 11.14 C ATOM 624 CG HIS A 341 10.109 19.389 -9.870 1.00 11.10 C ATOM 625 ND1 HIS A 341 8.848 19.427 -10.413 1.00 10.25 N ATOM 626 CD2 HIS A 341 10.647 18.205 -10.239 1.00 11.60 C ATOM 627 CE1 HIS A 341 8.606 18.298 -11.048 1.00 8.87 C ATOM 628 NE2 HIS A 341 9.693 17.537 -10.972 1.00 10.88 N ATOM 629 HA HIS A 341 11.744 19.384 -7.712 1.00 0.00 H ATOM 630 HB2 HIS A 341 9.915 21.336 -9.107 1.00 0.00 H ATOM 631 HB3 HIS A 341 11.535 20.923 -9.717 1.00 0.00 H ATOM 632 HD2 HIS A 341 11.648 17.847 -10.001 1.00 0.00 H ATOM 633 HE1 HIS A 341 7.675 18.034 -11.549 1.00 0.00 H ATOM 634 H HIS A 341 9.050 19.978 -7.171 1.00 0.00 H ATOM 635 N ILE A 342 13.298 21.413 -7.247 1.00 11.85 N ATOM 636 CA ILE A 342 14.127 22.546 -6.891 1.00 12.13 C ATOM 637 C ILE A 342 13.793 23.739 -7.806 1.00 11.23 C ATOM 638 O ILE A 342 13.863 24.906 -7.394 1.00 12.19 O ATOM 639 CB ILE A 342 15.663 22.192 -6.879 1.00 11.94 C ATOM 640 CG1 ILE A 342 16.151 21.599 -8.218 1.00 13.59 C ATOM 641 CG2 ILE A 342 15.994 21.272 -5.700 1.00 14.53 C ATOM 642 CD1 ILE A 342 17.668 21.304 -8.302 1.00 14.71 C ATOM 643 HA ILE A 342 13.899 22.832 -5.864 1.00 0.00 H ATOM 644 HB ILE A 342 16.207 23.128 -6.749 1.00 0.00 H ATOM 645 HG12 ILE A 342 15.617 20.664 -8.386 1.00 0.00 H ATOM 646 HG13 ILE A 342 15.902 22.306 -9.009 1.00 0.00 H ATOM 647 HD11 ILE A 342 18.225 22.229 -8.153 1.00 0.00 H ATOM 648 HD12 ILE A 342 17.940 20.585 -7.529 1.00 0.00 H ATOM 649 HD13 ILE A 342 17.903 20.891 -9.283 1.00 0.00 H ATOM 650 HG21 ILE A 342 15.739 21.774 -4.767 1.00 0.00 H ATOM 651 HG22 ILE A 342 15.419 20.350 -5.787 1.00 0.00 H ATOM 652 HG23 ILE A 342 17.059 21.040 -5.710 1.00 0.00 H ATOM 653 H ILE A 342 13.743 20.503 -7.482 1.00 0.00 H ATOM 654 N TYR A 343 13.457 23.452 -9.067 1.00 11.17 N ATOM 655 CA TYR A 343 13.209 24.474 -10.069 1.00 11.12 C ATOM 656 C TYR A 343 11.798 25.021 -10.086 1.00 11.15 C ATOM 657 O TYR A 343 11.494 25.902 -10.851 1.00 12.20 O ATOM 658 CB TYR A 343 13.667 24.027 -11.470 1.00 11.54 C ATOM 659 CG TYR A 343 13.216 22.659 -11.913 1.00 10.41 C ATOM 660 CD1 TYR A 343 11.867 22.380 -12.195 1.00 11.76 C ATOM 661 CD2 TYR A 343 14.124 21.622 -12.032 1.00 11.62 C ATOM 662 CE1 TYR A 343 11.474 21.122 -12.638 1.00 9.99 C ATOM 663 CE2 TYR A 343 13.745 20.379 -12.466 1.00 12.66 C ATOM 664 CZ TYR A 343 12.422 20.115 -12.761 1.00 9.94 C ATOM 665 OH TYR A 343 12.043 18.885 -13.220 1.00 11.48 O ATOM 666 HA TYR A 343 13.828 25.317 -9.761 1.00 0.00 H ATOM 667 HB3 TYR A 343 14.757 24.039 -11.483 1.00 0.00 H ATOM 668 HB2 TYR A 343 13.288 24.752 -12.191 1.00 0.00 H ATOM 669 HD2 TYR A 343 15.168 21.798 -11.774 1.00 0.00 H ATOM 670 HE2 TYR A 343 14.492 19.594 -12.579 1.00 0.00 H ATOM 671 HE1 TYR A 343 10.431 20.928 -12.887 1.00 0.00 H ATOM 672 HD1 TYR A 343 11.118 23.161 -12.064 1.00 0.00 H ATOM 673 HH TYR A 343 12.515 18.691 -14.068 1.00 0.00 H ATOM 674 H TYR A 343 13.369 22.453 -9.343 1.00 0.00 H ATOM 675 N CYS A 344 10.924 24.481 -9.232 1.00 10.62 N ATOM 676 CA CYS A 344 9.568 24.989 -9.063 1.00 11.17 C ATOM 677 C CYS A 344 9.469 25.962 -7.868 1.00 11.38 C ATOM 678 O CYS A 344 8.449 26.625 -7.695 1.00 13.31 O ATOM 679 CB CYS A 344 8.570 23.848 -8.894 1.00 10.95 C ATOM 680 SG CYS A 344 8.213 23.000 -10.456 1.00 12.64 S ATOM 681 HA CYS A 344 9.318 25.539 -9.970 1.00 0.00 H ATOM 682 HB2 CYS A 344 7.640 24.253 -8.495 1.00 0.00 H ATOM 683 HB3 CYS A 344 8.981 23.125 -8.190 1.00 0.00 H ATOM 684 HG CYS A 344 7.681 23.901 -11.356 1.00 0.00 H ATOM 685 H CYS A 344 11.224 23.663 -8.663 1.00 0.00 H ATOM 686 N LEU A 345 10.511 26.010 -7.042 1.00 12.37 N ATOM 687 CA LEU A 345 10.569 26.934 -5.915 1.00 12.30 C ATOM 688 C LEU A 345 10.731 28.391 -6.370 1.00 12.45 C ATOM 689 O LEU A 345 11.199 28.652 -7.475 1.00 12.53 O ATOM 690 CB LEU A 345 11.712 26.541 -4.984 1.00 13.10 C ATOM 691 CG LEU A 345 11.553 25.161 -4.376 1.00 12.40 C ATOM 692 CD1 LEU A 345 12.830 24.748 -3.680 1.00 13.93 C ATOM 693 CD2 LEU A 345 10.361 25.088 -3.438 1.00 13.80 C ATOM 694 HA LEU A 345 9.621 26.866 -5.381 1.00 0.00 H ATOM 695 HB2 LEU A 345 12.642 26.563 -5.552 1.00 0.00 H ATOM 696 HB3 LEU A 345 11.764 27.270 -4.175 1.00 0.00 H ATOM 697 HG LEU A 345 11.356 24.457 -5.185 1.00 0.00 H ATOM 698 HD21 LEU A 345 10.493 25.805 -2.628 1.00 0.00 H ATOM 699 HD22 LEU A 345 9.451 25.325 -3.990 1.00 0.00 H ATOM 700 HD23 LEU A 345 10.286 24.082 -3.026 1.00 0.00 H ATOM 701 HD11 LEU A 345 13.646 24.729 -4.402 1.00 0.00 H ATOM 702 HD12 LEU A 345 13.059 25.463 -2.890 1.00 0.00 H ATOM 703 HD13 LEU A 345 12.702 23.755 -3.248 1.00 0.00 H ATOM 704 H LEU A 345 11.312 25.367 -7.206 1.00 0.00 H ATOM 705 N ASP A 346 10.342 29.321 -5.499 1.00 13.78 N ATOM 706 CA ASP A 346 10.539 30.753 -5.728 1.00 13.95 C ATOM 707 C ASP A 346 11.436 31.296 -4.617 1.00 13.86 C ATOM 708 O ASP A 346 11.015 31.391 -3.460 1.00 15.33 O ATOM 709 CB ASP A 346 9.207 31.518 -5.729 1.00 15.19 C ATOM 710 CG ASP A 346 8.297 31.127 -6.886 1.00 17.64 C ATOM 711 OD1 ASP A 346 8.793 30.896 -8.009 1.00 22.89 O ATOM 712 OD2 ASP A 346 7.064 31.078 -6.677 1.00 22.06 O ATOM 713 HA ASP A 346 10.998 30.892 -6.707 1.00 0.00 H ATOM 714 HB2 ASP A 346 8.687 31.312 -4.793 1.00 0.00 H ATOM 715 HB3 ASP A 346 9.419 32.585 -5.799 1.00 0.00 H ATOM 716 H ASP A 346 9.879 29.016 -4.619 1.00 0.00 H ATOM 717 N PRO A 347 12.689 31.608 -4.942 1.00 13.30 N ATOM 718 CA PRO A 347 13.326 31.467 -6.234 1.00 12.88 C ATOM 719 C PRO A 347 13.712 30.029 -6.480 1.00 12.92 C ATOM 720 O PRO A 347 13.839 29.220 -5.549 1.00 12.87 O ATOM 721 CB PRO A 347 14.608 32.309 -6.108 1.00 12.62 C ATOM 722 CG PRO A 347 14.548 32.958 -4.819 1.00 14.00 C ATOM 723 CD PRO A 347 13.609 32.210 -3.959 1.00 13.17 C ATOM 724 HA PRO A 347 12.674 31.777 -7.050 1.00 0.00 H ATOM 725 HD3 PRO A 347 14.127 31.444 -3.383 1.00 0.00 H ATOM 726 HD2 PRO A 347 13.079 32.878 -3.280 1.00 0.00 H ATOM 727 HG3 PRO A 347 14.199 33.984 -4.940 1.00 0.00 H ATOM 728 HG2 PRO A 347 15.538 32.964 -4.364 1.00 0.00 H ATOM 729 HB2 PRO A 347 15.487 31.668 -6.166 1.00 0.00 H ATOM 730 HB3 PRO A 347 14.650 33.053 -6.903 1.00 0.00 H ATOM 731 N PRO A 348 13.959 29.698 -7.739 1.00 12.81 N ATOM 732 CA PRO A 348 14.369 28.351 -8.048 1.00 13.11 C ATOM 733 C PRO A 348 15.788 28.079 -7.548 1.00 13.78 C ATOM 734 O PRO A 348 16.599 28.995 -7.487 1.00 15.10 O ATOM 735 CB PRO A 348 14.277 28.315 -9.571 1.00 13.65 C ATOM 736 CG PRO A 348 14.478 29.726 -10.000 1.00 13.55 C ATOM 737 CD PRO A 348 13.804 30.533 -8.947 1.00 12.68 C ATOM 738 HA PRO A 348 13.759 27.584 -7.571 1.00 0.00 H ATOM 739 HD3 PRO A 348 14.292 31.499 -8.821 1.00 0.00 H ATOM 740 HD2 PRO A 348 12.751 30.687 -9.185 1.00 0.00 H ATOM 741 HG3 PRO A 348 14.020 29.902 -10.973 1.00 0.00 H ATOM 742 HG2 PRO A 348 15.540 29.967 -10.050 1.00 0.00 H ATOM 743 HB2 PRO A 348 15.053 27.673 -9.987 1.00 0.00 H ATOM 744 HB3 PRO A 348 13.299 27.953 -9.888 1.00 0.00 H ATOM 745 N LEU A 349 16.065 26.846 -7.177 1.00 13.95 N ATOM 746 CA LEU A 349 17.378 26.433 -6.743 1.00 14.39 C ATOM 747 C LEU A 349 17.991 25.551 -7.813 1.00 14.39 C ATOM 748 O LEU A 349 17.263 24.833 -8.515 1.00 15.43 O ATOM 749 CB LEU A 349 17.280 25.638 -5.448 1.00 14.39 C ATOM 750 CG LEU A 349 16.662 26.380 -4.255 1.00 14.45 C ATOM 751 CD1 LEU A 349 16.614 25.494 -3.031 1.00 16.38 C ATOM 752 CD2 LEU A 349 17.442 27.652 -3.963 1.00 16.29 C ATOM 753 HA LEU A 349 17.994 27.317 -6.574 1.00 0.00 H ATOM 754 HB2 LEU A 349 16.673 24.754 -5.643 1.00 0.00 H ATOM 755 HB3 LEU A 349 18.287 25.331 -5.166 1.00 0.00 H ATOM 756 HG LEU A 349 15.638 26.650 -4.515 1.00 0.00 H ATOM 757 HD21 LEU A 349 18.475 27.397 -3.728 1.00 0.00 H ATOM 758 HD22 LEU A 349 17.417 28.301 -4.838 1.00 0.00 H ATOM 759 HD23 LEU A 349 16.991 28.166 -3.114 1.00 0.00 H ATOM 760 HD11 LEU A 349 16.010 24.612 -3.246 1.00 0.00 H ATOM 761 HD12 LEU A 349 17.626 25.187 -2.766 1.00 0.00 H ATOM 762 HD13 LEU A 349 16.172 26.046 -2.202 1.00 0.00 H ATOM 763 H LEU A 349 15.303 26.138 -7.198 1.00 0.00 H ATOM 764 N SER A 350 19.323 25.617 -7.924 1.00 15.86 N ATOM 765 CA SER A 350 20.096 24.868 -8.928 1.00 16.46 C ATOM 766 C SER A 350 20.698 23.590 -8.359 1.00 16.63 C ATOM 767 O SER A 350 21.283 22.796 -9.101 1.00 17.30 O ATOM 768 CB SER A 350 21.276 25.706 -9.464 1.00 16.94 C ATOM 769 OG SER A 350 20.885 26.987 -9.946 1.00 20.51 O ATOM 770 HA SER A 350 19.386 24.630 -9.720 1.00 0.00 H ATOM 771 HB2 SER A 350 21.747 25.158 -10.280 1.00 0.00 H ATOM 772 HB3 SER A 350 21.996 25.845 -8.658 1.00 0.00 H ATOM 773 HG SER A 350 21.683 27.473 -10.274 1.00 0.00 H ATOM 774 H SER A 350 19.841 26.232 -7.264 1.00 0.00 H ATOM 775 N SER A 351 20.659 23.439 -7.043 1.00 16.88 N ATOM 776 CA SER A 351 21.214 22.264 -6.400 1.00 17.20 C ATOM 777 C SER A 351 20.372 21.900 -5.185 1.00 16.47 C ATOM 778 O SER A 351 19.676 22.736 -4.622 1.00 15.85 O ATOM 779 CB SER A 351 22.665 22.487 -5.972 1.00 18.25 C ATOM 780 OG SER A 351 22.789 23.574 -5.082 1.00 20.52 O ATOM 781 HA SER A 351 21.199 21.448 -7.122 1.00 0.00 H ATOM 782 HB2 SER A 351 23.268 22.686 -6.858 1.00 0.00 H ATOM 783 HB3 SER A 351 23.030 21.585 -5.481 1.00 0.00 H ATOM 784 HG SER A 351 22.249 23.398 -4.271 1.00 0.00 H ATOM 785 H SER A 351 20.221 24.179 -6.459 1.00 0.00 H ATOM 786 N VAL A 352 20.489 20.643 -4.779 1.00 16.17 N ATOM 787 CA VAL A 352 19.950 20.163 -3.513 1.00 16.22 C ATOM 788 C VAL A 352 20.704 20.821 -2.332 1.00 16.17 C ATOM 789 O VAL A 352 21.937 20.739 -2.231 1.00 16.58 O ATOM 790 CB VAL A 352 20.047 18.622 -3.442 1.00 16.64 C ATOM 791 CG1 VAL A 352 19.564 18.114 -2.103 1.00 16.57 C ATOM 792 CG2 VAL A 352 19.248 17.981 -4.584 1.00 16.74 C ATOM 793 HA VAL A 352 18.898 20.440 -3.445 1.00 0.00 H ATOM 794 HB VAL A 352 21.094 18.340 -3.553 1.00 0.00 H ATOM 795 HG11 VAL A 352 20.178 18.542 -1.311 1.00 0.00 H ATOM 796 HG12 VAL A 352 18.524 18.408 -1.958 1.00 0.00 H ATOM 797 HG13 VAL A 352 19.642 17.027 -2.078 1.00 0.00 H ATOM 798 HG21 VAL A 352 18.201 18.275 -4.503 1.00 0.00 H ATOM 799 HG22 VAL A 352 19.649 18.318 -5.540 1.00 0.00 H ATOM 800 HG23 VAL A 352 19.328 16.896 -4.517 1.00 0.00 H ATOM 801 H VAL A 352 20.989 19.968 -5.393 1.00 0.00 H ATOM 802 N PRO A 353 19.958 21.500 -1.450 1.00 15.75 N ATOM 803 CA PRO A 353 20.579 22.103 -0.283 1.00 16.31 C ATOM 804 C PRO A 353 21.410 21.111 0.556 1.00 17.07 C ATOM 805 O PRO A 353 20.986 19.954 0.749 1.00 17.63 O ATOM 806 CB PRO A 353 19.360 22.562 0.531 1.00 16.37 C ATOM 807 CG PRO A 353 18.333 22.923 -0.506 1.00 15.27 C ATOM 808 CD PRO A 353 18.516 21.824 -1.530 1.00 16.23 C ATOM 809 HA PRO A 353 21.283 22.887 -0.562 1.00 0.00 H ATOM 810 HD3 PRO A 353 17.908 20.955 -1.279 1.00 0.00 H ATOM 811 HD2 PRO A 353 18.252 22.175 -2.528 1.00 0.00 H ATOM 812 HG3 PRO A 353 18.534 23.904 -0.937 1.00 0.00 H ATOM 813 HG2 PRO A 353 17.327 22.911 -0.088 1.00 0.00 H ATOM 814 HB2 PRO A 353 18.997 21.757 1.170 1.00 0.00 H ATOM 815 HB3 PRO A 353 19.609 23.427 1.145 1.00 0.00 H ATOM 816 N SER A 354 22.539 21.597 1.083 1.00 17.01 N ATOM 817 CA SER A 354 23.497 20.759 1.828 1.00 16.74 C ATOM 818 C SER A 354 23.020 20.433 3.244 1.00 16.00 C ATOM 819 O SER A 354 23.374 19.396 3.824 1.00 16.18 O ATOM 820 CB SER A 354 24.855 21.448 1.869 1.00 17.58 C ATOM 821 OG SER A 354 25.376 21.605 0.558 1.00 21.94 O ATOM 822 HA SER A 354 23.579 19.808 1.301 1.00 0.00 H ATOM 823 HB2 SER A 354 25.545 20.845 2.459 1.00 0.00 H ATOM 824 HB3 SER A 354 24.745 22.429 2.331 1.00 0.00 H ATOM 825 HG SER A 354 25.480 20.715 0.137 1.00 0.00 H ATOM 826 H SER A 354 22.750 22.608 0.962 1.00 0.00 H ATOM 827 N GLU A 355 22.222 21.330 3.807 1.00 15.09 N ATOM 828 CA GLU A 355 21.804 21.196 5.195 1.00 14.96 C ATOM 829 C GLU A 355 20.816 20.051 5.342 1.00 14.90 C ATOM 830 O GLU A 355 20.096 19.711 4.392 1.00 15.16 O ATOM 831 CB GLU A 355 21.208 22.508 5.710 1.00 14.44 C ATOM 832 CG GLU A 355 19.914 22.981 5.030 1.00 14.59 C ATOM 833 CD GLU A 355 20.111 23.825 3.783 1.00 15.16 C ATOM 834 OE1 GLU A 355 21.216 23.816 3.198 1.00 16.77 O ATOM 835 OE2 GLU A 355 19.116 24.508 3.401 1.00 16.12 O ATOM 836 HA GLU A 355 22.681 20.968 5.801 1.00 0.00 H ATOM 837 HB2 GLU A 355 20.999 22.384 6.772 1.00 0.00 H ATOM 838 HB3 GLU A 355 21.958 23.288 5.577 1.00 0.00 H ATOM 839 HG2 GLU A 355 19.336 22.099 4.753 1.00 0.00 H ATOM 840 HG3 GLU A 355 19.350 23.572 5.752 1.00 0.00 H ATOM 841 H GLU A 355 21.890 22.142 3.248 1.00 0.00 H ATOM 842 N ASP A 356 20.781 19.438 6.524 1.00 15.27 N ATOM 843 CA ASP A 356 19.965 18.237 6.699 1.00 15.39 C ATOM 844 C ASP A 356 18.464 18.501 6.619 1.00 15.56 C ATOM 845 O ASP A 356 17.727 17.674 6.063 1.00 17.33 O ATOM 846 CB ASP A 356 20.276 17.532 8.029 1.00 16.05 C ATOM 847 CG ASP A 356 21.337 16.462 7.915 1.00 17.00 C ATOM 848 OD1 ASP A 356 21.963 16.309 6.845 1.00 19.37 O ATOM 849 OD2 ASP A 356 21.538 15.757 8.933 1.00 17.68 O ATOM 850 HA ASP A 356 20.234 17.591 5.863 1.00 0.00 H ATOM 851 HB2 ASP A 356 20.617 18.281 8.744 1.00 0.00 H ATOM 852 HB3 ASP A 356 19.360 17.071 8.397 1.00 0.00 H ATOM 853 H ASP A 356 21.333 19.813 7.321 1.00 0.00 H ATOM 854 N GLU A 357 18.021 19.632 7.181 1.00 14.61 N ATOM 855 CA GLU A 357 16.606 19.951 7.292 1.00 14.57 C ATOM 856 C GLU A 357 16.201 21.090 6.352 1.00 12.73 C ATOM 857 O GLU A 357 16.854 22.137 6.314 1.00 14.89 O ATOM 858 CB GLU A 357 16.229 20.301 8.725 1.00 15.45 C ATOM 859 CG GLU A 357 16.490 19.214 9.744 1.00 17.67 C ATOM 860 CD GLU A 357 15.930 19.564 11.111 1.00 19.64 C ATOM 861 OE1 GLU A 357 15.823 18.651 11.960 1.00 21.46 O ATOM 862 OE2 GLU A 357 15.579 20.747 11.345 1.00 22.47 O ATOM 863 HA GLU A 357 16.060 19.056 6.994 1.00 0.00 H ATOM 864 HB2 GLU A 357 16.799 21.182 9.018 1.00 0.00 H ATOM 865 HB3 GLU A 357 15.165 20.535 8.746 1.00 0.00 H ATOM 866 HG2 GLU A 357 16.025 18.290 9.400 1.00 0.00 H ATOM 867 HG3 GLU A 357 17.566 19.066 9.832 1.00 0.00 H ATOM 868 H GLU A 357 18.716 20.310 7.553 1.00 0.00 H ATOM 869 N TRP A 358 15.150 20.868 5.577 1.00 11.60 N ATOM 870 CA TRP A 358 14.636 21.896 4.673 1.00 9.99 C ATOM 871 C TRP A 358 13.123 21.957 4.796 1.00 10.30 C ATOM 872 O TRP A 358 12.481 20.933 4.888 1.00 10.30 O ATOM 873 CB TRP A 358 15.046 21.584 3.219 1.00 10.44 C ATOM 874 CG TRP A 358 14.459 22.529 2.218 1.00 9.73 C ATOM 875 CD1 TRP A 358 14.986 23.733 1.805 1.00 9.82 C ATOM 876 CD2 TRP A 358 13.248 22.335 1.470 1.00 10.16 C ATOM 877 NE1 TRP A 358 14.145 24.310 0.866 1.00 9.38 N ATOM 878 CE2 TRP A 358 13.075 23.470 0.645 1.00 10.09 C ATOM 879 CE3 TRP A 358 12.282 21.316 1.425 1.00 10.33 C ATOM 880 CZ2 TRP A 358 11.958 23.623 -0.203 1.00 10.88 C ATOM 881 CZ3 TRP A 358 11.163 21.481 0.580 1.00 11.64 C ATOM 882 CH2 TRP A 358 11.021 22.615 -0.228 1.00 10.75 C ATOM 883 HA TRP A 358 15.059 22.863 4.945 1.00 0.00 H ATOM 884 HB2 TRP A 358 16.132 21.636 3.148 1.00 0.00 H ATOM 885 HB3 TRP A 358 14.715 20.574 2.976 1.00 0.00 H ATOM 886 HE1 TRP A 358 14.297 25.229 0.403 1.00 0.00 H ATOM 887 HD1 TRP A 358 15.921 24.166 2.162 1.00 0.00 H ATOM 888 HZ2 TRP A 358 11.840 24.514 -0.820 1.00 0.00 H ATOM 889 HH2 TRP A 358 10.156 22.701 -0.886 1.00 0.00 H ATOM 890 HZ3 TRP A 358 10.394 20.709 0.556 1.00 0.00 H ATOM 891 HE3 TRP A 358 12.394 20.416 2.030 1.00 0.00 H ATOM 892 H TRP A 358 14.680 19.941 5.612 1.00 0.00 H ATOM 893 N TYR A 359 12.568 23.162 4.732 1.00 10.30 N ATOM 894 CA TYR A 359 11.141 23.380 4.968 1.00 11.63 C ATOM 895 C TYR A 359 10.579 24.125 3.787 1.00 11.42 C ATOM 896 O TYR A 359 11.137 25.114 3.334 1.00 11.33 O ATOM 897 CB TYR A 359 10.907 24.165 6.283 1.00 12.12 C ATOM 898 CG TYR A 359 11.379 23.368 7.463 1.00 12.80 C ATOM 899 CD1 TYR A 359 10.569 22.374 8.019 1.00 12.84 C ATOM 900 CD2 TYR A 359 12.675 23.523 7.966 1.00 12.10 C ATOM 901 CE1 TYR A 359 11.022 21.589 9.075 1.00 11.20 C ATOM 902 CE2 TYR A 359 13.136 22.740 9.024 1.00 11.82 C ATOM 903 CZ TYR A 359 12.302 21.784 9.578 1.00 10.58 C ATOM 904 OH TYR A 359 12.766 20.999 10.599 1.00 12.46 O ATOM 905 HA TYR A 359 10.634 22.421 5.077 1.00 0.00 H ATOM 906 HB3 TYR A 359 9.843 24.372 6.393 1.00 0.00 H ATOM 907 HB2 TYR A 359 11.457 25.105 6.242 1.00 0.00 H ATOM 908 HD2 TYR A 359 13.336 24.268 7.524 1.00 0.00 H ATOM 909 HE2 TYR A 359 14.145 22.880 9.412 1.00 0.00 H ATOM 910 HE1 TYR A 359 10.375 20.824 9.506 1.00 0.00 H ATOM 911 HD1 TYR A 359 9.568 22.211 7.620 1.00 0.00 H ATOM 912 HH TYR A 359 13.554 20.487 10.288 1.00 0.00 H ATOM 913 H TYR A 359 13.170 23.980 4.506 1.00 0.00 H ATOM 914 N CYS A 360 9.480 23.597 3.268 1.00 11.96 N ATOM 915 CA CYS A 360 8.848 24.121 2.077 1.00 12.30 C ATOM 916 C CYS A 360 8.195 25.453 2.358 1.00 13.07 C ATOM 917 O CYS A 360 8.122 25.893 3.516 1.00 13.59 O ATOM 918 CB CYS A 360 7.827 23.115 1.523 1.00 12.28 C ATOM 919 SG CYS A 360 6.220 23.152 2.371 1.00 13.99 S ATOM 920 HA CYS A 360 9.617 24.278 1.321 1.00 0.00 H ATOM 921 HB2 CYS A 360 8.244 22.113 1.622 1.00 0.00 H ATOM 922 HB3 CYS A 360 7.664 23.337 0.468 1.00 0.00 H ATOM 923 HG CYS A 360 6.400 22.858 3.707 1.00 0.00 H ATOM 924 H CYS A 360 9.054 22.772 3.736 1.00 0.00 H ATOM 925 N PRO A 361 7.703 26.118 1.306 1.00 13.64 N ATOM 926 CA PRO A 361 7.136 27.421 1.575 1.00 14.32 C ATOM 927 C PRO A 361 5.905 27.386 2.477 1.00 15.06 C ATOM 928 O PRO A 361 5.617 28.362 3.156 1.00 15.24 O ATOM 929 CB PRO A 361 6.768 27.929 0.189 1.00 14.72 C ATOM 930 CG PRO A 361 7.619 27.195 -0.722 1.00 15.43 C ATOM 931 CD PRO A 361 7.804 25.854 -0.142 1.00 13.94 C ATOM 932 HA PRO A 361 7.839 28.053 2.117 1.00 0.00 H ATOM 933 HD3 PRO A 361 7.023 25.169 -0.474 1.00 0.00 H ATOM 934 HD2 PRO A 361 8.780 25.443 -0.401 1.00 0.00 H ATOM 935 HG3 PRO A 361 8.581 27.696 -0.824 1.00 0.00 H ATOM 936 HG2 PRO A 361 7.145 27.119 -1.701 1.00 0.00 H ATOM 937 HB2 PRO A 361 5.718 27.731 -0.025 1.00 0.00 H ATOM 938 HB3 PRO A 361 6.958 29.000 0.111 1.00 0.00 H ATOM 939 N GLU A 362 5.183 26.278 2.462 1.00 15.02 N ATOM 940 CA GLU A 362 3.988 26.160 3.287 1.00 15.48 C ATOM 941 C GLU A 362 4.321 25.988 4.772 1.00 15.36 C ATOM 942 O GLU A 362 3.545 26.401 5.620 1.00 16.97 O ATOM 943 CB GLU A 362 3.076 25.025 2.742 1.00 16.29 C ATOM 944 CG GLU A 362 2.571 25.336 1.303 1.00 17.07 C ATOM 945 CD GLU A 362 1.949 24.147 0.542 1.00 19.25 C ATOM 946 OE1 GLU A 362 1.402 23.239 1.166 1.00 17.36 O ATOM 947 OE2 GLU A 362 2.010 24.124 -0.709 1.00 22.00 O ATOM 948 HA GLU A 362 3.433 27.096 3.222 1.00 0.00 H ATOM 949 HB2 GLU A 362 3.642 24.094 2.725 1.00 0.00 H ATOM 950 HB3 GLU A 362 2.216 24.914 3.403 1.00 0.00 H ATOM 951 HG2 GLU A 362 1.817 26.120 1.374 1.00 0.00 H ATOM 952 HG3 GLU A 362 3.418 25.700 0.722 1.00 0.00 H ATOM 953 H GLU A 362 5.471 25.484 1.856 1.00 0.00 H ATOM 954 N CYS A 363 5.474 25.397 5.078 1.00 14.78 N ATOM 955 CA CYS A 363 5.852 25.027 6.446 1.00 13.96 C ATOM 956 C CYS A 363 6.942 25.851 7.124 1.00 13.76 C ATOM 957 O CYS A 363 7.134 25.752 8.333 1.00 13.67 O ATOM 958 CB CYS A 363 6.333 23.591 6.431 1.00 13.29 C ATOM 959 SG CYS A 363 5.063 22.449 5.851 1.00 15.63 S ATOM 960 HA CYS A 363 4.948 25.209 7.027 1.00 0.00 H ATOM 961 HB2 CYS A 363 6.624 23.308 7.443 1.00 0.00 H ATOM 962 HB3 CYS A 363 7.198 23.518 5.772 1.00 0.00 H ATOM 963 HG CYS A 363 5.564 21.163 5.862 1.00 0.00 H ATOM 964 H CYS A 363 6.141 25.187 4.308 1.00 0.00 H ATOM 965 N ARG A 364 7.710 26.605 6.343 1.00 12.92 N ATOM 966 CA ARG A 364 8.842 27.344 6.894 1.00 13.35 C ATOM 967 C ARG A 364 8.409 28.588 7.641 1.00 14.20 C ATOM 968 O ARG A 364 7.320 29.145 7.396 1.00 14.45 O ATOM 969 CB ARG A 364 9.815 27.752 5.789 1.00 12.48 C ATOM 970 CG ARG A 364 9.234 28.751 4.829 1.00 11.43 C ATOM 971 CD ARG A 364 10.184 29.106 3.707 1.00 12.78 C ATOM 972 NE ARG A 364 10.565 27.963 2.901 1.00 12.96 N ATOM 973 CZ ARG A 364 11.052 28.020 1.666 1.00 11.97 C ATOM 974 NH1 ARG A 364 11.188 29.175 1.029 1.00 13.45 N ATOM 975 NH2 ARG A 364 11.395 26.882 1.061 1.00 11.45 N ATOM 976 HA ARG A 364 9.333 26.670 7.596 1.00 0.00 H ATOM 977 HB2 ARG A 364 10.701 28.189 6.251 1.00 0.00 H ATOM 978 HB3 ARG A 364 10.100 26.860 5.231 1.00 0.00 H ATOM 979 HG2 ARG A 364 8.325 28.332 4.397 1.00 0.00 H ATOM 980 HG3 ARG A 364 8.988 29.660 5.378 1.00 0.00 H ATOM 981 HD2 ARG A 364 11.085 29.541 4.140 1.00 0.00 H ATOM 982 HD3 ARG A 364 9.701 29.840 3.062 1.00 0.00 H ATOM 983 HE ARG A 364 10.447 27.020 3.324 1.00 0.00 H ATOM 984 HH12 ARG A 364 11.572 29.194 0.063 1.00 0.00 H ATOM 985 HH11 ARG A 364 10.911 30.062 1.496 1.00 0.00 H ATOM 986 HH22 ARG A 364 11.778 26.902 0.094 1.00 0.00 H ATOM 987 HH21 ARG A 364 11.279 25.975 1.556 1.00 0.00 H ATOM 988 H ARG A 364 7.501 26.669 5.326 1.00 0.00 H ATOM 989 N ASN A 365 9.302 29.018 8.537 1.00 15.44 N ATOM 990 CA ASN A 365 9.207 30.291 9.248 1.00 17.11 C ATOM 991 C ASN A 365 9.406 31.451 8.284 1.00 18.15 C ATOM 992 O ASN A 365 10.260 31.376 7.389 1.00 18.75 O ATOM 993 CB ASN A 365 10.287 30.355 10.334 1.00 17.30 C ATOM 994 CG ASN A 365 10.098 31.502 11.279 1.00 18.04 C ATOM 995 OD1 ASN A 365 10.852 32.473 11.239 1.00 19.82 O ATOM 996 ND2 ASN A 365 9.090 31.406 12.143 1.00 19.20 N ATOM 997 HA ASN A 365 8.218 30.365 9.700 1.00 0.00 H ATOM 998 HB2 ASN A 365 10.262 29.427 10.904 1.00 0.00 H ATOM 999 HB3 ASN A 365 11.259 30.458 9.852 1.00 0.00 H ATOM 1000 HD22 ASN A 365 8.479 30.564 12.138 1.00 0.00 H ATOM 1001 HD21 ASN A 365 8.913 32.173 12.823 1.00 0.00 H ATOM 1002 H ASN A 365 10.118 28.407 8.742 1.00 0.00 H ATOM 1003 N ASP A 366 8.629 32.514 8.474 1.00 19.62 N ATOM 1004 CA ASP A 366 8.687 33.698 7.614 1.00 20.86 C ATOM 1005 C ASP A 366 9.215 34.896 8.391 1.00 21.00 C ATOM 1006 O ASP A 366 8.658 35.267 9.427 1.00 21.43 O ATOM 1007 CB ASP A 366 7.292 33.978 7.032 1.00 21.65 C ATOM 1008 CG ASP A 366 6.660 32.733 6.398 1.00 24.29 C ATOM 1009 OD1 ASP A 366 7.401 31.770 6.105 1.00 29.60 O ATOM 1010 OD2 ASP A 366 5.426 32.697 6.192 1.00 26.72 O ATOM 1011 HA ASP A 366 9.375 33.514 6.789 1.00 0.00 H ATOM 1012 HB2 ASP A 366 6.643 34.330 7.833 1.00 0.00 H ATOM 1013 HB3 ASP A 366 7.380 34.752 6.270 1.00 0.00 H ATOM 1014 H ASP A 366 7.954 32.504 9.265 1.00 0.00 H TER 1015 ASP A 366 HETATM 1016 ZN ZN A 1 -0.076 10.215 -6.726 1.00 18.37 ZN HETATM 1017 ZN ZN A 2 7.384 20.907 -10.002 1.00 18.81 ZN HETATM 1018 ZN ZN A 3 6.106 21.515 3.985 1.00 25.20 ZN HETATM 1019 ZN ZN A 4 -0.191 22.186 -0.263 1.00 16.30 ZN HETATM 1020 O HOH 5 15.943 18.474 -15.189 1.00 23.28 O HETATM 1021 O HOH 6 -2.997 10.922 1.242 1.00 13.27 O HETATM 1022 O HOH 7 6.962 30.849 2.473 1.00 29.69 O HETATM 1023 O HOH 8 2.609 6.956 -7.519 1.00 18.59 O HETATM 1024 O HOH 9 1.129 4.077 -15.292 1.00 22.34 O HETATM 1025 O HOH 10 14.053 28.743 -2.831 1.00 17.33 O HETATM 1026 O HOH 11 3.108 9.516 -19.557 1.00 28.27 O HETATM 1027 O HOH 12 -3.890 12.464 -10.294 1.00 18.75 O HETATM 1028 O HOH 13 21.916 16.881 4.162 1.00 18.20 O HETATM 1029 O HOH 14 5.505 13.508 -1.123 1.00 27.47 O HETATM 1030 O HOH 15 -2.956 15.986 -7.555 1.00 25.07 O HETATM 1031 O HOH 16 19.651 21.492 8.922 1.00 27.77 O HETATM 1032 O HOH 17 23.579 24.190 0.293 1.00 18.84 O HETATM 1033 O HOH 18 6.053 21.752 14.120 1.00 19.89 O HETATM 1034 O HOH 19 10.442 28.494 -10.169 1.00 20.06 O HETATM 1035 O HOH 20 17.160 31.573 -8.170 1.00 23.66 O HETATM 1036 O HOH 21 2.970 7.137 -2.807 1.00 24.26 O HETATM 1037 O HOH 22 0.964 9.178 -2.187 1.00 19.18 O HETATM 1038 O HOH 23 -2.065 6.560 -1.039 1.00 25.93 O HETATM 1039 O HOH 24 -3.747 13.070 -7.606 1.00 24.62 O HETATM 1040 O HOH 25 5.341 9.746 -2.379 1.00 26.11 O HETATM 1041 O HOH 26 20.602 24.801 -3.028 1.00 16.08 O HETATM 1042 O HOH 27 -2.491 21.211 -2.405 1.00 18.16 O HETATM 1043 O HOH 28 16.016 15.746 6.646 1.00 11.94 O HETATM 1044 O HOH 29 19.751 26.047 -0.753 1.00 13.24 O HETATM 1045 O HOH 30 15.626 10.351 -11.626 1.00 26.47 O HETATM 1046 O HOH 31 6.473 8.922 -5.326 1.00 29.22 O HETATM 1047 O HOH 32 9.143 28.681 -3.104 1.00 20.99 O HETATM 1048 O HOH 33 5.767 9.761 -9.423 1.00 39.03 O HETATM 1049 O HOH 34 6.079 24.162 10.331 1.00 28.06 O HETATM 1050 O HOH 35 -7.559 6.543 1.105 1.00 41.76 O HETATM 1051 O HOH 36 23.142 18.479 -1.270 1.00 29.48 O HETATM 1052 O HOH 37 20.214 21.454 -11.165 1.00 24.05 O HETATM 1053 O HOH 38 8.615 30.702 -1.302 1.00 35.18 O HETATM 1054 O HOH 39 4.204 6.531 -5.142 1.00 24.68 O HETATM 1055 O HOH 40 -7.584 4.661 -5.528 1.00 21.38 O HETATM 1056 O HOH 41 13.760 27.418 -13.341 1.00 37.64 O HETATM 1057 O HOH 42 25.607 18.376 -0.081 1.00 31.05 O HETATM 1058 O HOH 43 -0.385 4.669 -17.465 1.00 30.97 O HETATM 1059 O HOH 44 -8.199 8.334 -8.080 1.00 63.09 O HETATM 1060 O HOH 45 -3.988 7.148 -18.233 1.00 35.36 O HETATM 1061 O HOH 46 16.957 24.517 4.967 1.00 11.27 O HETATM 1062 O HOH 47 4.115 2.295 -7.250 1.00 37.02 O HETATM 1063 O HOH 48 0.835 25.121 -7.165 1.00 27.69 O HETATM 1064 O HOH 49 7.715 20.795 -14.035 1.00 28.71 O HETATM 1065 O HOH 50 17.911 25.681 1.391 1.00 14.77 O HETATM 1066 O HOH 51 8.297 10.772 -1.195 1.00 56.26 O HETATM 1067 O HOH 52 23.359 24.849 -2.532 1.00 24.56 O HETATM 1068 O HOH 53 21.452 25.752 1.274 1.00 23.79 O HETATM 1069 O HOH 54 5.800 17.803 -15.631 1.00 17.12 O HETATM 1070 O HOH 55 5.452 25.144 -10.960 1.00 34.59 O HETATM 1071 O HOH 56 25.184 22.900 5.344 1.00 27.41 O HETATM 1072 O HOH 57 -2.945 1.221 -10.403 1.00 27.16 O HETATM 1073 O HOH 58 8.969 22.538 -17.151 1.00 49.12 O HETATM 1074 O HOH 59 12.238 22.303 -16.822 1.00 41.20 O HETATM 1075 O HOH 60 0.643 0.417 -9.162 1.00 32.38 O HETATM 1076 O HOH 61 -4.952 3.584 -16.641 1.00 58.31 O HETATM 1077 O HOH 62 6.422 32.437 10.228 1.00 29.04 O HETATM 1078 O HOH 63 15.066 14.991 -16.825 1.00 14.34 O HETATM 1079 O HOH 64 4.488 15.799 -2.977 1.00 18.42 O HETATM 1080 O HOH 65 13.837 26.879 -0.635 1.00 14.04 O HETATM 1081 O HOH 66 14.847 17.599 3.471 1.00 13.15 O HETATM 1082 O HOH 67 20.926 11.699 -6.911 1.00 12.90 O HETATM 1083 O HOH 68 16.425 10.032 -2.078 1.00 24.33 O HETATM 1084 O HOH 69 7.980 11.813 -9.114 1.00 18.65 O HETATM 1085 O HOH 70 15.467 8.533 -9.474 1.00 28.48 O HETATM 1086 O HOH 71 14.692 10.757 1.091 1.00 27.83 O HETATM 1087 O HOH 72 19.355 6.646 -12.103 1.00 28.81 O HETATM 1088 O HOH 73 17.143 11.592 1.177 1.00 28.37 O HETATM 1089 O HOH 74 18.700 10.721 -0.865 1.00 27.66 O HETATM 1090 O HOH 75 16.053 6.091 -7.800 1.00 43.00 O HETATM 1091 O HOH 76 13.505 10.274 6.282 1.00 41.82 O HETATM 1092 N ALA A 77 19.903 18.041 2.343 1.00 0.24 N HETATM 1093 CA ALA A 77 18.426 17.841 2.502 1.00 0.06 C HETATM 1094 C ALA A 77 17.998 16.533 1.860 1.00 0.23 C HETATM 1095 O ALA A 77 18.740 15.957 1.078 1.00 -0.39 O HETATM 1096 N ALA A 77 16.814 16.058 2.198 1.00 -0.26 N HETATM 1097 CA ALA A 77 16.257 14.852 1.593 1.00 0.13 C HETATM 1098 C ALA A 77 15.709 15.128 0.190 1.00 0.20 C HETATM 1099 O ALA A 77 15.117 16.172 -0.078 1.00 -0.39 O HETATM 1100 N ALA A 77 15.892 14.172 -0.709 1.00 -0.26 N HETATM 1101 CA ALA A 77 15.219 14.204 -2.003 1.00 0.16 C HETATM 1102 C ALA A 77 14.302 12.991 -2.070 1.00 0.21 C HETATM 1103 O ALA A 77 14.495 11.989 -1.344 1.00 -0.39 O HETATM 1104 N ALA A 77 13.329 13.055 -2.979 1.00 -0.26 N HETATM 1105 CA ALA A 77 12.388 11.973 -3.128 1.00 0.13 C HETATM 1106 C ALA A 77 13.051 10.688 -3.549 1.00 0.20 C HETATM 1107 O ALA A 77 12.714 9.602 -3.052 1.00 -0.39 O HETATM 1108 N ALA A 77 13.945 10.806 -4.518 1.00 -0.26 N HETATM 1109 CA ALA A 77 14.786 9.687 -4.944 1.00 0.13 C HETATM 1110 C ALA A 77 16.204 10.158 -5.197 1.00 0.20 C HETATM 1111 O ALA A 77 16.510 11.330 -5.086 1.00 -0.39 O HETATM 1112 N ALA A 77 17.086 9.201 -5.469 1.00 -0.26 N HETATM 1113 CA ALA A 77 18.461 9.454 -5.930 1.00 0.16 C HETATM 1114 C ALA A 77 18.551 8.959 -7.369 1.00 0.21 C HETATM 1115 O ALA A 77 17.672 8.195 -7.826 1.00 -0.39 O HETATM 1116 N ALA A 77 19.626 9.340 -8.066 1.00 -0.26 N HETATM 1117 CA ALA A 77 19.867 8.929 -9.446 1.00 0.13 C HETATM 1118 C ALA A 77 21.340 8.627 -9.611 1.00 0.20 C HETATM 1119 O ALA A 77 22.183 9.198 -8.918 1.00 -0.39 O HETATM 1120 N ALA A 77 21.617 7.754 -10.576 1.00 -0.26 N HETATM 1121 CA ALA A 77 22.960 7.306 -10.899 1.00 0.13 C HETATM 1122 C ALA A 77 23.737 8.491 -11.438 1.00 0.20 C HETATM 1123 O ALA A 77 23.178 9.315 -12.158 1.00 -0.39 O HETATM 1124 N ALA A 77 25.017 8.567 -11.076 1.00 -0.27 N HETATM 1125 CA ALA A 77 25.927 9.605 -11.557 1.00 0.09 C HETATM 1126 C ALA A 77 26.434 9.264 -12.958 1.00 0.06 C HETATM 1127 O ALA A 77 25.730 8.610 -13.773 1.00 -0.57 O HETATM 1128 O ALA A 77 27.583 9.646 -13.306 1.00 -0.57 O HETATM 1129 CB ALA A 77 27.102 9.740 -10.577 1.00 -0.02 C HETATM 1130 CG ALA A 77 28.193 10.732 -10.947 1.00 -0.04 C HETATM 1131 CD ALA A 77 28.944 11.257 -9.708 1.00 -0.01 C HETATM 1132 CE ALA A 77 29.351 10.147 -8.731 1.00 -0.04 C HETATM 1133 NZ ALA A 77 29.941 8.955 -9.421 1.00 0.22 N HETATM 1134 H ALA A 77 30.192 8.252 -8.726 1.00 0.20 H HETATM 1135 H ALA A 77 29.256 8.565 -10.069 1.00 0.20 H HETATM 1136 H ALA A 77 30.774 9.239 -9.935 1.00 0.20 H HETATM 1137 H ALA A 77 28.454 9.819 -8.206 1.00 0.08 H HETATM 1138 H ALA A 77 30.108 10.553 -8.060 1.00 0.08 H HETATM 1139 H ALA A 77 28.273 11.933 -9.178 1.00 0.03 H HETATM 1140 H ALA A 77 29.857 11.741 -10.056 1.00 0.03 H HETATM 1141 H ALA A 77 27.726 11.581 -11.446 1.00 0.03 H HETATM 1142 H ALA A 77 28.912 10.223 -11.590 1.00 0.03 H HETATM 1143 H ALA A 77 27.583 8.762 -10.550 1.00 0.03 H HETATM 1144 H ALA A 77 26.672 10.102 -9.643 1.00 0.03 H HETATM 1145 H ALA A 77 25.394 10.554 -11.614 1.00 0.07 H HETATM 1146 H ALA A 77 25.380 7.865 -10.431 1.00 0.19 H HETATM 1147 CB ALA A 77 22.895 6.186 -11.951 1.00 -0.01 C HETATM 1148 CG ALA A 77 24.052 5.193 -11.906 1.00 -0.02 C HETATM 1149 CD ALA A 77 23.750 3.926 -12.723 1.00 0.06 C HETATM 1150 NE ALA A 77 24.275 2.723 -12.076 1.00 -0.27 N HETATM 1151 CZ ALA A 77 24.373 1.528 -12.655 1.00 0.29 C HETATM 1152 NH1 ALA A 77 23.984 1.343 -13.921 1.00 -0.28 N HETATM 1153 H ALA A 77 23.606 2.124 -14.457 1.00 0.26 H HETATM 1154 H ALA A 77 24.066 0.421 -14.350 1.00 0.26 H HETATM 1155 NH2 ALA A 77 24.880 0.507 -11.969 1.00 -0.28 N HETATM 1156 H ALA A 77 25.190 0.643 -11.007 1.00 0.26 H HETATM 1157 H ALA A 77 24.959 -0.412 -12.405 1.00 0.26 H HETATM 1158 H ALA A 77 24.589 2.806 -11.109 1.00 0.26 H HETATM 1159 H ALA A 77 24.227 4.026 -13.698 1.00 0.07 H HETATM 1160 H ALA A 77 22.668 3.824 -12.809 1.00 0.07 H HETATM 1161 H ALA A 77 24.212 4.901 -10.868 1.00 0.03 H HETATM 1162 H ALA A 77 24.933 5.674 -12.332 1.00 0.03 H HETATM 1163 H ALA A 77 22.932 6.669 -12.928 1.00 0.03 H HETATM 1164 H ALA A 77 21.985 5.619 -11.752 1.00 0.03 H HETATM 1165 H ALA A 77 23.454 6.913 -10.011 1.00 0.08 H HETATM 1166 H ALA A 77 20.841 7.378 -11.120 1.00 0.19 H HETATM 1167 CB ALA A 77 19.426 10.003 -10.429 1.00 -0.02 C HETATM 1168 H ALA A 77 18.360 10.192 -10.305 1.00 0.03 H HETATM 1169 H ALA A 77 19.984 10.920 -10.238 1.00 0.03 H HETATM 1170 H ALA A 77 19.620 9.664 -11.447 1.00 0.03 H HETATM 1171 H ALA A 77 19.279 8.037 -9.661 1.00 0.08 H HETATM 1172 H ALA A 77 20.310 9.946 -7.613 1.00 0.19 H HETATM 1173 CB ALA A 77 19.488 8.699 -5.059 1.00 0.09 C HETATM 1174 OG1 ALA A 77 19.264 7.294 -5.190 1.00 -0.39 O HETATM 1175 H ALA A 77 19.900 6.818 -4.651 1.00 0.21 H HETATM 1176 CG2 ALA A 77 19.353 9.114 -3.621 1.00 -0.03 C HETATM 1177 H ALA A 77 19.531 10.186 -3.535 1.00 0.03 H HETATM 1178 H ALA A 77 18.347 8.882 -3.270 1.00 0.03 H HETATM 1179 H ALA A 77 20.083 8.574 -3.018 1.00 0.03 H HETATM 1180 H ALA A 77 20.497 8.941 -5.392 1.00 0.06 H HETATM 1181 H ALA A 77 18.687 10.518 -5.858 1.00 0.08 H HETATM 1182 H ALA A 77 16.792 8.232 -5.351 1.00 0.19 H HETATM 1183 CB ALA A 77 14.205 9.021 -6.205 1.00 0.00 C HETATM 1184 CG ALA A 77 12.801 8.521 -6.005 1.00 0.04 C HETATM 1185 CD ALA A 77 12.190 7.910 -7.243 1.00 0.17 C HETATM 1186 OE1 ALA A 77 12.887 7.525 -8.180 1.00 -0.40 O HETATM 1187 NE2 ALA A 77 10.866 7.831 -7.258 1.00 -0.30 N HETATM 1188 H ALA A 77 10.388 7.439 -8.069 1.00 0.18 H HETATM 1189 H ALA A 77 10.326 8.162 -6.458 1.00 0.18 H HETATM 1190 H ALA A 77 12.187 9.378 -5.728 1.00 0.05 H HETATM 1191 H ALA A 77 12.838 7.743 -5.243 1.00 0.05 H HETATM 1192 H ALA A 77 14.833 8.164 -6.450 1.00 0.03 H HETATM 1193 H ALA A 77 14.184 9.769 -6.998 1.00 0.03 H HETATM 1194 H ALA A 77 14.805 8.947 -4.144 1.00 0.08 H HETATM 1195 H ALA A 77 14.051 11.707 -4.983 1.00 0.19 H HETATM 1196 CB ALA A 77 11.278 12.341 -4.109 1.00 -0.01 C HETATM 1197 CG ALA A 77 10.118 11.373 -3.975 1.00 -0.04 C HETATM 1198 CD ALA A 77 8.891 11.852 -4.638 1.00 -0.01 C HETATM 1199 CE ALA A 77 9.082 11.759 -6.104 1.00 -0.04 C HETATM 1200 NZ ALA A 77 7.882 12.280 -6.788 1.00 0.22 N HETATM 1201 H ALA A 77 8.013 12.216 -7.798 1.00 0.20 H HETATM 1202 H ALA A 77 7.069 11.728 -6.514 1.00 0.20 H HETATM 1203 H ALA A 77 7.738 13.255 -6.524 1.00 0.20 H HETATM 1204 H ALA A 77 9.239 10.718 -6.386 1.00 0.08 H HETATM 1205 H ALA A 77 9.952 12.347 -6.396 1.00 0.08 H HETATM 1206 H ALA A 77 8.693 12.886 -4.353 1.00 0.03 H HETATM 1207 H ALA A 77 8.041 11.241 -4.334 1.00 0.03 H HETATM 1208 H ALA A 77 9.900 11.260 -2.913 1.00 0.03 H HETATM 1209 H ALA A 77 10.409 10.437 -4.451 1.00 0.03 H HETATM 1210 H ALA A 77 11.669 12.291 -5.125 1.00 0.03 H HETATM 1211 H ALA A 77 10.928 13.350 -3.890 1.00 0.03 H HETATM 1212 H ALA A 77 11.949 11.807 -2.144 1.00 0.08 H HETATM 1213 H ALA A 77 13.249 13.879 -3.576 1.00 0.19 H HETATM 1214 CB ALA A 77 16.235 14.153 -3.169 1.00 0.09 C HETATM 1215 OG1 ALA A 77 17.054 12.983 -3.026 1.00 -0.39 O HETATM 1216 H ALA A 77 16.498 12.200 -3.046 1.00 0.21 H HETATM 1217 CG2 ALA A 77 17.139 15.369 -3.165 1.00 -0.03 C HETATM 1218 H ALA A 77 16.535 16.270 -3.270 1.00 0.03 H HETATM 1219 H ALA A 77 17.690 15.407 -2.225 1.00 0.03 H HETATM 1220 H ALA A 77 17.840 15.302 -3.997 1.00 0.03 H HETATM 1221 H ALA A 77 15.677 14.131 -4.105 1.00 0.06 H HETATM 1222 H ALA A 77 14.657 15.133 -2.100 1.00 0.08 H HETATM 1223 H ALA A 77 16.517 13.396 -0.491 1.00 0.19 H HETATM 1224 CB ALA A 77 15.131 14.268 2.472 1.00 -0.01 C HETATM 1225 CG ALA A 77 15.611 13.657 3.760 1.00 -0.02 C HETATM 1226 CD ALA A 77 14.482 13.058 4.555 1.00 0.06 C HETATM 1227 NE ALA A 77 13.456 14.061 4.850 1.00 -0.27 N HETATM 1228 CZ ALA A 77 12.147 13.955 4.609 1.00 0.29 C HETATM 1229 NH1 ALA A 77 11.618 12.850 4.095 1.00 -0.28 N HETATM 1230 H ALA A 77 12.216 12.054 3.874 1.00 0.26 H HETATM 1231 H ALA A 77 10.614 12.798 3.922 1.00 0.26 H HETATM 1232 NH2 ALA A 77 11.352 14.968 4.926 1.00 -0.28 N HETATM 1233 H ALA A 77 11.743 15.811 5.347 1.00 0.26 H HETATM 1234 H ALA A 77 10.350 14.904 4.749 1.00 0.26 H HETATM 1235 H ALA A 77 13.774 14.928 5.283 1.00 0.26 H HETATM 1236 H ALA A 77 14.880 12.679 5.496 1.00 0.07 H HETATM 1237 H ALA A 77 14.030 12.257 3.970 1.00 0.07 H HETATM 1238 H ALA A 77 16.071 14.443 4.359 1.00 0.03 H HETATM 1239 H ALA A 77 16.317 12.862 3.518 1.00 0.03 H HETATM 1240 H ALA A 77 14.652 13.475 1.898 1.00 0.03 H HETATM 1241 H ALA A 77 14.467 15.091 2.734 1.00 0.03 H HETATM 1242 H ALA A 77 17.069 14.129 1.515 1.00 0.08 H HETATM 1243 H ALA A 77 16.270 16.550 2.906 1.00 0.19 H HETATM 1244 CB ALA A 77 17.670 19.011 1.865 1.00 -0.00 C HETATM 1245 H ALA A 77 17.890 19.046 0.798 1.00 0.03 H HETATM 1246 H ALA A 77 16.599 18.873 2.012 1.00 0.03 H HETATM 1247 H ALA A 77 17.985 19.944 2.333 1.00 0.03 H HETATM 1248 H ALA A 77 18.190 17.800 3.565 1.00 0.11 H HETATM 1249 H ALA A 77 20.399 17.258 2.769 1.00 0.20 H HETATM 1250 H ALA A 77 20.133 18.091 1.351 1.00 0.20 H HETATM 1251 H ALA A 77 20.178 18.910 2.801 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 40 39 44 1016 CONECT 89 88 93 1016 CONECT 219 218 223 1016 CONECT 270 269 274 1016 CONECT 291 290 295 1017 CONECT 306 304 305 1019 CONECT 337 336 341 1017 CONECT 516 515 520 1018 CONECT 554 553 558 1018 CONECT 625 624 627 1017 CONECT 680 679 684 1017 CONECT 919 918 923 1018 CONECT 946 945 1019 CONECT 959 958 963 1018 CONECT 1016 40 89 219 270 CONECT 1017 291 337 625 680 CONECT 1018 516 554 919 959 CONECT 1019 306 946 CONECT 1092 1093 1249 1250 1251 CONECT 1093 1092 1094 1244 1248 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1243 CONECT 1097 1096 1098 1224 1242 CONECT 1098 1097 1099 1100 CONECT 1099 1098 CONECT 1100 1098 1101 1223 CONECT 1101 1100 1102 1214 1222 CONECT 1102 1101 1103 1104 CONECT 1103 1102 CONECT 1104 1102 1105 1213 CONECT 1105 1104 1106 1196 1212 CONECT 1106 1105 1107 1108 CONECT 1107 1106 CONECT 1108 1106 1109 1195 CONECT 1109 1108 1110 1183 1194 CONECT 1110 1109 1111 1112 CONECT 1111 1110 CONECT 1112 1110 1113 1182 CONECT 1113 1112 1114 1173 1181 CONECT 1114 1113 1115 1116 CONECT 1115 1114 CONECT 1116 1114 1117 1172 CONECT 1117 1116 1118 1167 1171 CONECT 1118 1117 1119 1120 CONECT 1119 1118 CONECT 1120 1118 1121 1166 CONECT 1121 1120 1122 1147 1165 CONECT 1122 1121 1123 1124 CONECT 1123 1122 CONECT 1124 1122 1125 1146 CONECT 1125 1124 1126 1129 1145 CONECT 1126 1125 1127 1128 CONECT 1127 1126 CONECT 1128 1126 CONECT 1129 1125 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 1125 CONECT 1146 1124 CONECT 1147 1121 1148 1163 1164 CONECT 1148 1147 1149 1161 1162 CONECT 1149 1148 1150 1159 1160 CONECT 1150 1149 1151 1158 CONECT 1151 1150 1152 1155 CONECT 1152 1151 1153 1154 CONECT 1153 1152 CONECT 1154 1152 CONECT 1155 1151 1156 1157 CONECT 1156 1155 CONECT 1157 1155 CONECT 1158 1150 CONECT 1159 1149 CONECT 1160 1149 CONECT 1161 1148 CONECT 1162 1148 CONECT 1163 1147 CONECT 1164 1147 CONECT 1165 1121 CONECT 1166 1120 CONECT 1167 1117 1168 1169 1170 CONECT 1168 1167 CONECT 1169 1167 CONECT 1170 1167 CONECT 1171 1117 CONECT 1172 1116 CONECT 1173 1113 1174 1176 1180 CONECT 1174 1173 1175 CONECT 1175 1174 CONECT 1176 1173 1177 1178 1179 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1176 CONECT 1180 1173 CONECT 1181 1113 CONECT 1182 1112 CONECT 1183 1109 1184 1192 1193 CONECT 1184 1183 1185 1190 1191 CONECT 1185 1184 1186 1187 CONECT 1186 1185 CONECT 1187 1185 1188 1189 CONECT 1188 1187 CONECT 1189 1187 CONECT 1190 1184 CONECT 1191 1184 CONECT 1192 1183 CONECT 1193 1183 CONECT 1194 1109 CONECT 1195 1108 CONECT 1196 1105 1197 1210 1211 CONECT 1197 1196 1198 1208 1209 CONECT 1198 1197 1199 1206 1207 CONECT 1199 1198 1200 1204 1205 CONECT 1200 1199 1201 1202 1203 CONECT 1201 1200 CONECT 1202 1200 CONECT 1203 1200 CONECT 1204 1199 CONECT 1205 1199 CONECT 1206 1198 CONECT 1207 1198 CONECT 1208 1197 CONECT 1209 1197 CONECT 1210 1196 CONECT 1211 1196 CONECT 1212 1105 CONECT 1213 1104 CONECT 1214 1101 1215 1217 1221 CONECT 1215 1214 1216 CONECT 1216 1215 CONECT 1217 1214 1218 1219 1220 CONECT 1218 1217 CONECT 1219 1217 CONECT 1220 1217 CONECT 1221 1214 CONECT 1222 1101 CONECT 1223 1100 CONECT 1224 1097 1225 1240 1241 CONECT 1225 1224 1226 1238 1239 CONECT 1226 1225 1227 1236 1237 CONECT 1227 1226 1228 1235 CONECT 1228 1227 1229 1232 CONECT 1229 1228 1230 1231 CONECT 1230 1229 CONECT 1231 1229 CONECT 1232 1228 1233 1234 CONECT 1233 1232 CONECT 1234 1232 CONECT 1235 1227 CONECT 1236 1226 CONECT 1237 1226 CONECT 1238 1225 CONECT 1239 1225 CONECT 1240 1224 CONECT 1241 1224 CONECT 1242 1097 CONECT 1243 1096 CONECT 1244 1093 1245 1246 1247 CONECT 1245 1244 CONECT 1246 1244 CONECT 1247 1244 CONECT 1248 1093 CONECT 1249 1092 CONECT 1250 1092 CONECT 1251 1092 MASTER 0 0 0 0 0 0 0 0 1250 1 182 6 END
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Related entries of code: 3asl
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
3asl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase UHRF1
Ligand Name
11-mer
EC.Number
E.C.6.3.2
Resolution
1.41(Å)
Affinity (Kd/Ki/IC50)
Kd=1.73uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Proc.Natl.Acad.Sci.USA.Vol. 109: pp.12950鈥12955.
Ligand Properties
Formula
C
4
3
H
8
7
N
1
8
O
1
3
Molecular Weight
1064.260
Exact Mass
1063.670
No. of atoms
161
No. of bonds
160
Polar Surface Area
568.59
LOGP Value
-5.20 (
Computed with XLOGP3
)
-7.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 47
No. of Nitrogen and Oxygen Atoms: 31
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)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])CCC[NH+]=C(N)N)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/C43H82N18O13/c1-21(46)33(65)55-27(14-10-20-53-43(50)51)37(69)61-32(24(4)63)40(72)58-25(11-5-7-17-44)35(67)57-28(15-16-30(47)64)38(70)60-31(23(3)62)39(71)54-22(2)34(66)56-26(13-9-19-52-42(48)49)36(68)59-29(41(73)74)12-6-8-18-45/h21-29,31-32,62-63H,5-20,44-46H2,1-4H3,(H2,47,64)(H,54,71)(H,55,65)(H,56,66)(H,57,67)(H,58,72)(H,59,68)(H,60,70)(H,61,69)(H,73,74)(H4,48,49,52)(H4,50,51,53)/p+5/t21-,22-,23+,24+,25-,26-,27-,28-,29-,31-,32-/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
P84243
Entrez Gene ID
NCBI Entrez Gene ID:
29128
3020
3021
ASD
Information of known allosteric effects of PDB entries
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