Browse entries in the PDBbind-CN Database
HEADER 3SOU_COMPLEX COMPND 3SOU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 68 PRO SER CYS LYS HIS CYS LYS ASP ASP VAL ASN ARG LEU SEQRES 2 A 68 CYS ARG VAL CYS ALA CYS HIS LEU CYS GLY GLY ARG GLN SEQRES 3 A 68 ASP PRO ASP LYS GLN LEU MET CYS ASP GLU CYS ASP MET SEQRES 4 A 68 ALA PHE HIS ILE TYR CYS LEU ASP PRO PRO LEU SER SER SEQRES 5 A 68 VAL PRO SER GLU ASP GLU TRP TYR CYS PRO GLU CYS ARG SEQRES 6 A 68 ASN ASP ALA HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 126 138 ATOM 1 N PRO A 313 24.776 14.426 57.937 1.00 48.47 N ATOM 2 CA PRO A 313 24.788 15.341 59.081 1.00 45.26 C ATOM 3 C PRO A 313 25.709 14.806 60.155 1.00 43.62 C ATOM 4 O PRO A 313 26.537 13.933 59.876 1.00 45.83 O ATOM 5 CB PRO A 313 23.335 15.308 59.572 1.00 44.08 C ATOM 6 CG PRO A 313 22.545 14.818 58.405 1.00 44.58 C ATOM 7 CD PRO A 313 23.448 13.831 57.731 1.00 47.43 C ATOM 8 HA PRO A 313 25.135 16.343 58.831 1.00 0.00 H ATOM 9 HD3 PRO A 313 23.379 12.849 58.199 1.00 0.00 H ATOM 10 HD2 PRO A 313 23.215 13.744 56.670 1.00 0.00 H ATOM 11 HG3 PRO A 313 22.301 15.640 57.732 1.00 0.00 H ATOM 12 HG2 PRO A 313 21.625 14.336 58.737 1.00 0.00 H ATOM 13 HB2 PRO A 313 23.231 14.628 60.418 1.00 0.00 H ATOM 14 HB3 PRO A 313 23.007 16.305 59.866 1.00 0.00 H ATOM 15 N SER A 314 25.574 15.310 61.373 1.00 44.17 N ATOM 16 CA SER A 314 26.396 14.805 62.456 1.00 44.32 C ATOM 17 C SER A 314 25.969 13.375 62.791 1.00 42.73 C ATOM 18 O SER A 314 26.811 12.491 62.967 1.00 44.67 O ATOM 19 CB SER A 314 26.300 15.710 63.685 1.00 47.65 C ATOM 20 OG SER A 314 27.291 15.363 64.634 1.00 52.05 O ATOM 21 HA SER A 314 27.439 14.799 62.139 1.00 0.00 H ATOM 22 HB2 SER A 314 25.315 15.598 64.137 1.00 0.00 H ATOM 23 HB3 SER A 314 26.442 16.747 63.380 1.00 0.00 H ATOM 24 HG SER A 314 27.215 15.958 65.422 1.00 0.00 H ATOM 25 H SER A 314 24.881 16.065 61.552 1.00 0.00 H ATOM 26 N CYS A 315 24.662 13.155 62.876 1.00 37.13 N ATOM 27 CA CYS A 315 24.134 11.820 63.134 1.00 35.49 C ATOM 28 C CYS A 315 23.402 11.262 61.915 1.00 33.08 C ATOM 29 O CYS A 315 22.421 11.839 61.451 1.00 32.87 O ATOM 30 CB CYS A 315 23.198 11.832 64.341 1.00 34.06 C ATOM 31 SG CYS A 315 22.526 10.204 64.739 1.00 31.02 S ATOM 32 HA CYS A 315 24.983 11.171 63.349 1.00 0.00 H ATOM 33 HB2 CYS A 315 22.369 12.507 64.129 1.00 0.00 H ATOM 34 HB3 CYS A 315 23.752 12.199 65.205 1.00 0.00 H ATOM 35 HG CYS A 315 21.695 10.307 65.836 1.00 0.00 H ATOM 36 H CYS A 315 24.002 13.950 62.756 1.00 0.00 H ATOM 37 N LYS A 316 23.866 10.125 61.414 1.00 32.96 N ATOM 38 CA LYS A 316 23.291 9.554 60.199 1.00 34.71 C ATOM 39 C LYS A 316 21.955 8.854 60.431 1.00 32.28 C ATOM 40 O LYS A 316 21.230 8.550 59.486 1.00 31.06 O ATOM 41 CB LYS A 316 24.291 8.619 59.502 1.00 38.09 C ATOM 42 CG LYS A 316 24.770 7.437 60.337 1.00 36.01 C ATOM 43 CD LYS A 316 25.835 6.649 59.586 1.00 39.84 C ATOM 44 CE LYS A 316 26.515 5.616 60.486 1.00 45.68 C ATOM 45 NZ LYS A 316 27.583 4.869 59.738 1.00 47.50 N ATOM 46 HA LYS A 316 23.080 10.396 59.539 1.00 0.00 H ATOM 47 HB2 LYS A 316 23.815 8.226 58.604 1.00 0.00 H ATOM 48 HB3 LYS A 316 25.164 9.208 59.221 1.00 0.00 H ATOM 49 HG2 LYS A 316 25.190 7.806 61.273 1.00 0.00 H ATOM 50 HG3 LYS A 316 23.925 6.783 60.552 1.00 0.00 H ATOM 51 HD2 LYS A 316 25.367 6.134 58.747 1.00 0.00 H ATOM 52 HD3 LYS A 316 26.588 7.342 59.211 1.00 0.00 H ATOM 53 HE2 LYS A 316 25.768 4.907 60.843 1.00 0.00 H ATOM 54 HE3 LYS A 316 26.966 6.126 61.337 1.00 0.00 H ATOM 55 HZ1 LYS A 316 27.157 4.376 58.927 1.00 0.00 H ATOM 56 HZ2 LYS A 316 28.301 5.540 59.399 1.00 0.00 H ATOM 57 HZ3 LYS A 316 28.028 4.175 60.372 1.00 0.00 H ATOM 58 H LYS A 316 24.649 9.634 61.892 1.00 0.00 H ATOM 59 N HIS A 317 21.611 8.621 61.694 1.00 31.49 N ATOM 60 CA HIS A 317 20.342 7.967 62.004 1.00 30.98 C ATOM 61 C HIS A 317 19.162 8.927 61.985 1.00 30.50 C ATOM 62 O HIS A 317 18.086 8.583 61.503 1.00 31.65 O ATOM 63 CB HIS A 317 20.411 7.246 63.356 1.00 29.21 C ATOM 64 CG HIS A 317 21.601 6.351 63.502 1.00 29.53 C ATOM 65 ND1 HIS A 317 21.591 5.028 63.122 1.00 29.58 N ATOM 66 CD2 HIS A 317 22.842 6.590 63.984 1.00 30.29 C ATOM 67 CE1 HIS A 317 22.770 4.488 63.367 1.00 31.49 C ATOM 68 NE2 HIS A 317 23.544 5.412 63.905 1.00 28.70 N ATOM 69 HA HIS A 317 20.176 7.235 61.214 1.00 0.00 H ATOM 70 HB2 HIS A 317 20.446 7.997 64.145 1.00 0.00 H ATOM 71 HB3 HIS A 317 19.510 6.643 63.471 1.00 0.00 H ATOM 72 HD2 HIS A 317 23.216 7.541 64.364 1.00 0.00 H ATOM 73 HE1 HIS A 317 23.055 3.456 63.161 1.00 0.00 H ATOM 74 H HIS A 317 22.248 8.906 62.465 1.00 0.00 H ATOM 75 N CYS A 318 19.352 10.130 62.515 1.00 29.54 N ATOM 76 CA CYS A 318 18.245 11.077 62.605 1.00 30.00 C ATOM 77 C CYS A 318 18.471 12.303 61.729 1.00 31.38 C ATOM 78 O CYS A 318 17.592 13.151 61.623 1.00 32.48 O ATOM 79 CB CYS A 318 18.031 11.528 64.058 1.00 28.84 C ATOM 80 SG CYS A 318 19.412 12.518 64.675 1.00 29.93 S ATOM 81 HA CYS A 318 17.357 10.557 62.247 1.00 0.00 H ATOM 82 HB2 CYS A 318 17.923 10.645 64.688 1.00 0.00 H ATOM 83 HB3 CYS A 318 17.120 12.124 64.110 1.00 0.00 H ATOM 84 HG CYS A 318 20.571 11.771 64.623 1.00 0.00 H ATOM 85 H CYS A 318 20.293 10.398 62.867 1.00 0.00 H ATOM 86 N LYS A 319 19.654 12.387 61.122 1.00 31.79 N ATOM 87 CA LYS A 319 20.048 13.541 60.309 1.00 33.48 C ATOM 88 C LYS A 319 19.934 14.876 61.060 1.00 38.12 C ATOM 89 O LYS A 319 19.772 15.938 60.450 1.00 38.91 O ATOM 90 CB LYS A 319 19.276 13.552 58.982 1.00 37.16 C ATOM 91 CG LYS A 319 19.396 12.224 58.215 1.00 36.36 C ATOM 92 CD LYS A 319 18.906 12.334 56.773 1.00 45.51 C ATOM 93 CE LYS A 319 18.902 10.975 56.065 1.00 50.69 C ATOM 94 NZ LYS A 319 20.192 10.220 56.206 1.00 50.88 N ATOM 95 HA LYS A 319 21.109 13.430 60.084 1.00 0.00 H ATOM 96 HB2 LYS A 319 18.223 13.740 59.192 1.00 0.00 H ATOM 97 HB3 LYS A 319 19.669 14.353 58.356 1.00 0.00 H ATOM 98 HG2 LYS A 319 20.442 11.918 58.206 1.00 0.00 H ATOM 99 HG3 LYS A 319 18.802 11.468 58.729 1.00 0.00 H ATOM 100 HD2 LYS A 319 17.892 12.734 56.775 1.00 0.00 H ATOM 101 HD3 LYS A 319 19.562 13.013 56.229 1.00 0.00 H ATOM 102 HE2 LYS A 319 18.713 11.139 55.004 1.00 0.00 H ATOM 103 HE3 LYS A 319 18.100 10.369 56.486 1.00 0.00 H ATOM 104 HZ1 LYS A 319 20.967 10.781 55.798 1.00 0.00 H ATOM 105 HZ2 LYS A 319 20.382 10.045 57.214 1.00 0.00 H ATOM 106 HZ3 LYS A 319 20.118 9.312 55.704 1.00 0.00 H ATOM 107 H LYS A 319 20.326 11.601 61.230 1.00 0.00 H ATOM 108 N ASP A 320 20.032 14.806 62.388 1.00 36.81 N ATOM 109 CA ASP A 320 20.034 15.991 63.248 1.00 36.52 C ATOM 110 C ASP A 320 18.684 16.710 63.346 1.00 36.62 C ATOM 111 O ASP A 320 18.609 17.843 63.828 1.00 39.32 O ATOM 112 CB ASP A 320 21.131 16.974 62.820 1.00 37.08 C ATOM 113 CG ASP A 320 22.529 16.371 62.896 1.00 39.53 C ATOM 114 OD1 ASP A 320 22.723 15.353 63.597 1.00 35.08 O ATOM 115 OD2 ASP A 320 23.448 16.926 62.253 1.00 39.98 O ATOM 116 HA ASP A 320 20.243 15.616 64.250 1.00 0.00 H ATOM 117 HB2 ASP A 320 20.940 17.283 61.792 1.00 0.00 H ATOM 118 HB3 ASP A 320 21.092 17.846 63.473 1.00 0.00 H ATOM 119 H ASP A 320 20.110 13.869 62.832 1.00 0.00 H ATOM 120 N ASP A 321 17.618 16.048 62.913 1.00 35.10 N ATOM 121 CA ASP A 321 16.289 16.640 62.938 1.00 35.78 C ATOM 122 C ASP A 321 15.785 16.795 64.375 1.00 36.16 C ATOM 123 O ASP A 321 15.446 15.812 65.028 1.00 35.13 O ATOM 124 CB ASP A 321 15.336 15.777 62.113 1.00 34.13 C ATOM 125 CG ASP A 321 13.950 16.369 61.992 1.00 37.22 C ATOM 126 OD1 ASP A 321 13.657 17.392 62.652 1.00 37.13 O ATOM 127 OD2 ASP A 321 13.141 15.786 61.231 1.00 39.66 O ATOM 128 HA ASP A 321 16.335 17.637 62.501 1.00 0.00 H ATOM 129 HB2 ASP A 321 15.752 15.661 61.112 1.00 0.00 H ATOM 130 HB3 ASP A 321 15.255 14.799 62.587 1.00 0.00 H ATOM 131 H ASP A 321 17.736 15.082 62.547 1.00 0.00 H ATOM 132 N VAL A 322 15.720 18.038 64.845 1.00 35.81 N ATOM 133 CA VAL A 322 15.354 18.349 66.226 1.00 35.09 C ATOM 134 C VAL A 322 13.970 17.834 66.592 1.00 34.88 C ATOM 135 O VAL A 322 13.650 17.681 67.769 1.00 34.92 O ATOM 136 CB VAL A 322 15.379 19.876 66.473 1.00 36.28 C ATOM 137 CG1 VAL A 322 14.303 20.553 65.648 1.00 38.80 C ATOM 138 CG2 VAL A 322 15.199 20.193 67.952 1.00 42.47 C ATOM 139 HA VAL A 322 16.093 17.848 66.851 1.00 0.00 H ATOM 140 HB VAL A 322 16.352 20.259 66.165 1.00 0.00 H ATOM 141 HG11 VAL A 322 14.481 20.357 64.591 1.00 0.00 H ATOM 142 HG12 VAL A 322 13.327 20.159 65.933 1.00 0.00 H ATOM 143 HG13 VAL A 322 14.330 21.627 65.830 1.00 0.00 H ATOM 144 HG21 VAL A 322 14.242 19.799 68.293 1.00 0.00 H ATOM 145 HG22 VAL A 322 16.006 19.733 68.522 1.00 0.00 H ATOM 146 HG23 VAL A 322 15.221 21.273 68.096 1.00 0.00 H ATOM 147 H VAL A 322 15.940 18.824 64.201 1.00 0.00 H ATOM 148 N ASN A 323 13.144 17.575 65.587 1.00 34.29 N ATOM 149 CA ASN A 323 11.794 17.088 65.833 1.00 33.28 C ATOM 150 C ASN A 323 11.672 15.571 65.765 1.00 31.85 C ATOM 151 O ASN A 323 10.572 15.027 65.833 1.00 33.69 O ATOM 152 CB ASN A 323 10.814 17.728 64.860 1.00 40.44 C ATOM 153 CG ASN A 323 10.554 19.185 65.179 1.00 44.80 C ATOM 154 OD1 ASN A 323 10.719 20.061 64.326 1.00 45.76 O ATOM 155 ND2 ASN A 323 10.159 19.453 66.418 1.00 40.62 N ATOM 156 HA ASN A 323 11.550 17.377 66.855 1.00 0.00 H ATOM 157 HB2 ASN A 323 11.224 17.657 63.852 1.00 0.00 H ATOM 158 HB3 ASN A 323 9.870 17.185 64.906 1.00 0.00 H ATOM 159 HD22 ASN A 323 10.034 18.680 67.102 1.00 0.00 H ATOM 160 HD21 ASN A 323 9.975 20.436 66.704 1.00 0.00 H ATOM 161 H ASN A 323 13.465 17.722 64.609 1.00 0.00 H ATOM 162 N ARG A 324 12.802 14.895 65.604 1.00 33.50 N ATOM 163 CA ARG A 324 12.812 13.438 65.537 1.00 32.32 C ATOM 164 C ARG A 324 13.450 12.885 66.805 1.00 27.50 C ATOM 165 O ARG A 324 14.398 13.467 67.321 1.00 28.68 O ATOM 166 CB ARG A 324 13.608 12.959 64.321 1.00 33.63 C ATOM 167 CG ARG A 324 13.056 13.428 62.971 1.00 38.69 C ATOM 168 CD ARG A 324 11.749 12.710 62.587 1.00 42.07 C ATOM 169 NE ARG A 324 11.969 11.327 62.153 1.00 43.69 N ATOM 170 CZ ARG A 324 10.993 10.454 61.909 1.00 42.55 C ATOM 171 NH1 ARG A 324 9.727 10.814 62.055 1.00 41.99 N ATOM 172 NH2 ARG A 324 11.280 9.216 61.522 1.00 46.26 N ATOM 173 HA ARG A 324 11.786 13.082 65.445 1.00 0.00 H ATOM 174 HB2 ARG A 324 14.630 13.327 64.417 1.00 0.00 H ATOM 175 HB3 ARG A 324 13.614 11.869 64.326 1.00 0.00 H ATOM 176 HG2 ARG A 324 12.864 14.500 63.025 1.00 0.00 H ATOM 177 HG3 ARG A 324 13.802 13.232 62.201 1.00 0.00 H ATOM 178 HD2 ARG A 324 11.275 13.260 61.774 1.00 0.00 H ATOM 179 HD3 ARG A 324 11.087 12.703 63.453 1.00 0.00 H ATOM 180 HE ARG A 324 12.951 11.007 62.028 1.00 0.00 H ATOM 181 HH12 ARG A 324 8.967 10.131 61.864 1.00 0.00 H ATOM 182 HH11 ARG A 324 9.493 11.780 62.361 1.00 0.00 H ATOM 183 HH22 ARG A 324 10.513 8.539 61.333 1.00 0.00 H ATOM 184 HH21 ARG A 324 12.271 8.924 61.408 1.00 0.00 H ATOM 185 H ARG A 324 13.699 15.415 65.524 1.00 0.00 H ATOM 186 N LEU A 325 12.942 11.753 67.282 1.00 29.32 N ATOM 187 CA LEU A 325 13.605 11.013 68.357 1.00 28.13 C ATOM 188 C LEU A 325 14.879 10.403 67.823 1.00 26.26 C ATOM 189 O LEU A 325 14.927 9.987 66.670 1.00 27.65 O ATOM 190 CB LEU A 325 12.715 9.863 68.835 1.00 30.97 C ATOM 191 CG LEU A 325 11.366 10.266 69.400 1.00 32.04 C ATOM 192 CD1 LEU A 325 10.659 9.046 69.991 1.00 34.10 C ATOM 193 CD2 LEU A 325 11.602 11.348 70.418 1.00 31.03 C ATOM 194 HA LEU A 325 13.807 11.701 69.178 1.00 0.00 H ATOM 195 HB2 LEU A 325 12.539 9.201 67.987 1.00 0.00 H ATOM 196 HB3 LEU A 325 13.255 9.321 69.611 1.00 0.00 H ATOM 197 HG LEU A 325 10.709 10.654 68.622 1.00 0.00 H ATOM 198 HD21 LEU A 325 12.247 10.966 71.210 1.00 0.00 H ATOM 199 HD22 LEU A 325 12.082 12.200 69.936 1.00 0.00 H ATOM 200 HD23 LEU A 325 10.648 11.659 70.843 1.00 0.00 H ATOM 201 HD11 LEU A 325 10.512 8.299 69.211 1.00 0.00 H ATOM 202 HD12 LEU A 325 11.270 8.624 70.789 1.00 0.00 H ATOM 203 HD13 LEU A 325 9.692 9.348 70.393 1.00 0.00 H ATOM 204 H LEU A 325 12.055 11.385 66.883 1.00 0.00 H ATOM 205 N CYS A 326 15.900 10.305 68.662 1.00 22.83 N ATOM 206 CA CYS A 326 17.077 9.527 68.322 1.00 25.68 C ATOM 207 C CYS A 326 17.759 8.920 69.543 1.00 23.90 C ATOM 208 O CYS A 326 18.299 9.644 70.378 1.00 24.86 O ATOM 209 CB CYS A 326 18.092 10.369 67.567 1.00 25.86 C ATOM 210 SG CYS A 326 19.386 9.328 66.868 1.00 25.37 S ATOM 211 HA CYS A 326 16.720 8.714 67.690 1.00 0.00 H ATOM 212 HB2 CYS A 326 18.541 11.088 68.252 1.00 0.00 H ATOM 213 HB3 CYS A 326 17.587 10.903 66.762 1.00 0.00 H ATOM 214 HG CYS A 326 20.292 10.117 66.189 1.00 0.00 H ATOM 215 H CYS A 326 15.857 10.794 69.579 1.00 0.00 H ATOM 216 N ARG A 327 17.738 7.591 69.642 1.00 23.81 N ATOM 217 CA ARG A 327 18.380 6.917 70.766 1.00 24.52 C ATOM 218 C ARG A 327 19.878 6.768 70.581 1.00 26.08 C ATOM 219 O ARG A 327 20.553 6.186 71.420 1.00 26.90 O ATOM 220 CB ARG A 327 17.714 5.563 71.045 1.00 24.75 C ATOM 221 CG ARG A 327 16.276 5.739 71.438 1.00 24.79 C ATOM 222 CD ARG A 327 15.594 4.423 71.755 1.00 30.37 C ATOM 223 NE ARG A 327 14.277 4.667 72.327 1.00 28.12 N ATOM 224 CZ ARG A 327 13.162 4.819 71.625 1.00 32.28 C ATOM 225 NH1 ARG A 327 13.191 4.751 70.299 1.00 37.06 N ATOM 226 NH2 ARG A 327 12.010 5.039 72.252 1.00 34.09 N ATOM 227 HA ARG A 327 18.240 7.555 71.639 1.00 0.00 H ATOM 228 HB2 ARG A 327 17.765 4.949 70.146 1.00 0.00 H ATOM 229 HB3 ARG A 327 18.246 5.064 71.855 1.00 0.00 H ATOM 230 HG2 ARG A 327 16.230 6.378 72.320 1.00 0.00 H ATOM 231 HG3 ARG A 327 15.745 6.219 70.616 1.00 0.00 H ATOM 232 HD2 ARG A 327 16.200 3.865 72.469 1.00 0.00 H ATOM 233 HD3 ARG A 327 15.488 3.842 70.839 1.00 0.00 H ATOM 234 HE ARG A 327 14.206 4.726 73.363 1.00 0.00 H ATOM 235 HH12 ARG A 327 12.314 4.871 69.753 1.00 0.00 H ATOM 236 HH11 ARG A 327 14.091 4.578 69.807 1.00 0.00 H ATOM 237 HH22 ARG A 327 11.134 5.159 71.704 1.00 0.00 H ATOM 238 HH21 ARG A 327 11.985 5.092 73.290 1.00 0.00 H ATOM 239 H ARG A 327 17.259 7.028 68.910 1.00 0.00 H ATOM 240 N VAL A 328 20.410 7.305 69.486 1.00 25.83 N ATOM 241 CA VAL A 328 21.854 7.240 69.286 1.00 27.61 C ATOM 242 C VAL A 328 22.568 8.504 69.739 1.00 24.96 C ATOM 243 O VAL A 328 23.553 8.422 70.458 1.00 31.08 O ATOM 244 CB VAL A 328 22.231 6.905 67.823 1.00 27.04 C ATOM 245 CG1 VAL A 328 23.749 6.785 67.701 1.00 29.75 C ATOM 246 CG2 VAL A 328 21.546 5.610 67.398 1.00 30.51 C ATOM 247 HA VAL A 328 22.197 6.422 69.919 1.00 0.00 H ATOM 248 HB VAL A 328 21.893 7.704 67.163 1.00 0.00 H ATOM 249 HG11 VAL A 328 24.211 7.730 67.988 1.00 0.00 H ATOM 250 HG12 VAL A 328 24.103 5.991 68.358 1.00 0.00 H ATOM 251 HG13 VAL A 328 24.012 6.549 66.670 1.00 0.00 H ATOM 252 HG21 VAL A 328 21.870 4.798 68.050 1.00 0.00 H ATOM 253 HG22 VAL A 328 20.465 5.730 67.474 1.00 0.00 H ATOM 254 HG23 VAL A 328 21.815 5.379 66.367 1.00 0.00 H ATOM 255 H VAL A 328 19.802 7.767 68.779 1.00 0.00 H ATOM 256 N CYS A 329 22.056 9.669 69.349 1.00 24.63 N ATOM 257 CA CYS A 329 22.688 10.949 69.673 1.00 28.43 C ATOM 258 C CYS A 329 21.944 11.738 70.751 1.00 27.28 C ATOM 259 O CYS A 329 22.383 12.816 71.162 1.00 26.82 O ATOM 260 CB CYS A 329 22.845 11.810 68.411 1.00 27.69 C ATOM 261 SG CYS A 329 21.329 12.554 67.717 1.00 27.62 S ATOM 262 HA CYS A 329 23.670 10.706 70.080 1.00 0.00 H ATOM 263 HB2 CYS A 329 23.286 11.182 67.637 1.00 0.00 H ATOM 264 HB3 CYS A 329 23.530 12.623 68.651 1.00 0.00 H ATOM 265 HG CYS A 329 21.652 13.289 66.594 1.00 0.00 H ATOM 266 H CYS A 329 21.176 9.670 68.795 1.00 0.00 H ATOM 267 N ALA A 330 20.813 11.205 71.201 1.00 23.92 N ATOM 268 CA ALA A 330 20.073 11.814 72.308 1.00 22.69 C ATOM 269 C ALA A 330 19.834 10.741 73.366 1.00 21.91 C ATOM 270 O ALA A 330 20.531 9.726 73.375 1.00 23.12 O ATOM 271 CB ALA A 330 18.770 12.433 71.830 1.00 22.55 C ATOM 272 HA ALA A 330 20.655 12.628 72.739 1.00 0.00 H ATOM 273 HB1 ALA A 330 18.985 13.205 71.091 1.00 0.00 H ATOM 274 HB2 ALA A 330 18.146 11.661 71.379 1.00 0.00 H ATOM 275 HB3 ALA A 330 18.247 12.876 72.678 1.00 0.00 H ATOM 276 H ALA A 330 20.446 10.338 70.758 1.00 0.00 H ATOM 277 N CYS A 331 18.887 10.951 74.267 1.00 21.15 N ATOM 278 CA CYS A 331 18.726 9.986 75.360 1.00 20.44 C ATOM 279 C CYS A 331 18.578 8.574 74.789 1.00 22.22 C ATOM 280 O CYS A 331 17.714 8.332 73.935 1.00 21.43 O ATOM 281 CB CYS A 331 17.534 10.324 76.241 1.00 22.26 C ATOM 282 SG CYS A 331 17.223 9.050 77.533 1.00 20.98 S ATOM 283 HA CYS A 331 19.619 10.035 75.984 1.00 0.00 H ATOM 284 HB2 CYS A 331 16.648 10.407 75.612 1.00 0.00 H ATOM 285 HB3 CYS A 331 17.722 11.280 76.731 1.00 0.00 H ATOM 286 HG CYS A 331 16.131 9.422 78.291 1.00 0.00 H ATOM 287 H CYS A 331 18.269 11.785 74.201 1.00 0.00 H ATOM 288 N HIS A 332 19.409 7.648 75.248 1.00 19.11 N ATOM 289 CA HIS A 332 19.406 6.293 74.702 1.00 21.69 C ATOM 290 C HIS A 332 18.128 5.532 75.029 1.00 24.33 C ATOM 291 O HIS A 332 17.796 4.527 74.380 1.00 20.03 O ATOM 292 CB HIS A 332 20.633 5.522 75.195 1.00 22.99 C ATOM 293 CG HIS A 332 20.887 4.257 74.448 1.00 25.51 C ATOM 294 ND1 HIS A 332 21.078 4.228 73.082 1.00 26.99 N ATOM 295 CD2 HIS A 332 20.990 2.974 74.870 1.00 28.14 C ATOM 296 CE1 HIS A 332 21.277 2.981 72.696 1.00 29.75 C ATOM 297 NE2 HIS A 332 21.237 2.203 73.762 1.00 30.92 N ATOM 298 HA HIS A 332 19.448 6.383 73.617 1.00 0.00 H ATOM 299 HB2 HIS A 332 21.508 6.164 75.092 1.00 0.00 H ATOM 300 HB3 HIS A 332 20.486 5.277 76.247 1.00 0.00 H ATOM 301 HD2 HIS A 332 20.895 2.620 75.897 1.00 0.00 H ATOM 302 HE1 HIS A 332 21.446 2.650 71.671 1.00 0.00 H ATOM 303 H HIS A 332 20.074 7.891 76.010 1.00 0.00 H ATOM 304 N LEU A 333 17.407 6.002 76.040 1.00 21.37 N ATOM 305 CA LEU A 333 16.185 5.309 76.451 1.00 23.59 C ATOM 306 C LEU A 333 14.928 5.881 75.782 1.00 23.85 C ATOM 307 O LEU A 333 14.099 5.127 75.260 1.00 25.08 O ATOM 308 CB LEU A 333 16.052 5.319 77.978 1.00 22.22 C ATOM 309 CG LEU A 333 17.138 4.563 78.763 1.00 22.41 C ATOM 310 CD1 LEU A 333 17.008 4.837 80.286 1.00 22.36 C ATOM 311 CD2 LEU A 333 17.084 3.070 78.483 1.00 30.55 C ATOM 312 HA LEU A 333 16.271 4.276 76.113 1.00 0.00 H ATOM 313 HB2 LEU A 333 16.068 6.358 78.306 1.00 0.00 H ATOM 314 HB3 LEU A 333 15.089 4.874 78.230 1.00 0.00 H ATOM 315 HG LEU A 333 18.107 4.932 78.427 1.00 0.00 H ATOM 316 HD21 LEU A 333 16.109 2.681 78.777 1.00 0.00 H ATOM 317 HD22 LEU A 333 17.240 2.895 77.418 1.00 0.00 H ATOM 318 HD23 LEU A 333 17.864 2.566 79.053 1.00 0.00 H ATOM 319 HD11 LEU A 333 17.118 5.905 80.472 1.00 0.00 H ATOM 320 HD12 LEU A 333 16.029 4.506 80.631 1.00 0.00 H ATOM 321 HD13 LEU A 333 17.786 4.292 80.820 1.00 0.00 H ATOM 322 H LEU A 333 17.710 6.862 76.540 1.00 0.00 H ATOM 323 N CYS A 334 14.792 7.203 75.767 1.00 20.13 N ATOM 324 CA CYS A 334 13.565 7.829 75.231 1.00 22.34 C ATOM 325 C CYS A 334 13.758 8.525 73.890 1.00 24.20 C ATOM 326 O CYS A 334 12.777 8.884 73.233 1.00 22.09 O ATOM 327 CB CYS A 334 12.960 8.834 76.228 1.00 23.49 C ATOM 328 SG CYS A 334 13.792 10.452 76.334 1.00 19.82 S ATOM 329 HA CYS A 334 12.880 6.996 75.073 1.00 0.00 H ATOM 330 HB2 CYS A 334 12.987 8.379 77.218 1.00 0.00 H ATOM 331 HB3 CYS A 334 11.924 9.010 75.938 1.00 0.00 H ATOM 332 HG CYS A 334 15.104 10.268 76.721 1.00 0.00 H ATOM 333 H CYS A 334 15.557 7.803 76.136 1.00 0.00 H ATOM 334 N GLY A 335 15.015 8.745 73.519 1.00 21.15 N ATOM 335 CA GLY A 335 15.367 9.439 72.290 1.00 22.34 C ATOM 336 C GLY A 335 15.182 10.945 72.309 1.00 21.47 C ATOM 337 O GLY A 335 15.265 11.594 71.263 1.00 23.43 O ATOM 338 HA3 GLY A 335 14.749 9.035 71.488 1.00 0.00 H ATOM 339 HA2 GLY A 335 16.416 9.233 72.077 1.00 0.00 H ATOM 340 H GLY A 335 15.781 8.406 74.135 1.00 0.00 H ATOM 341 N GLY A 336 14.929 11.510 73.484 1.00 22.46 N ATOM 342 CA GLY A 336 14.652 12.936 73.606 1.00 22.10 C ATOM 343 C GLY A 336 15.901 13.776 73.812 1.00 23.01 C ATOM 344 O GLY A 336 16.870 13.300 74.393 1.00 20.11 O ATOM 345 HA3 GLY A 336 13.988 13.088 74.457 1.00 0.00 H ATOM 346 HA2 GLY A 336 14.156 13.271 72.695 1.00 0.00 H ATOM 347 H GLY A 336 14.928 10.919 74.340 1.00 0.00 H ATOM 348 N ARG A 337 15.878 15.025 73.335 1.00 22.15 N ATOM 349 CA ARG A 337 17.063 15.889 73.351 1.00 23.76 C ATOM 350 C ARG A 337 17.006 16.927 74.463 1.00 27.43 C ATOM 351 O ARG A 337 17.975 17.648 74.700 1.00 25.10 O ATOM 352 CB ARG A 337 17.202 16.622 72.008 1.00 26.48 C ATOM 353 CG ARG A 337 17.146 15.706 70.792 1.00 26.17 C ATOM 354 CD ARG A 337 17.045 16.506 69.490 1.00 32.20 C ATOM 355 NE ARG A 337 16.780 15.624 68.354 1.00 32.57 N ATOM 356 CZ ARG A 337 17.728 14.955 67.710 1.00 32.72 C ATOM 357 NH1 ARG A 337 18.979 15.086 68.097 1.00 34.26 N ATOM 358 NH2 ARG A 337 17.427 14.160 66.683 1.00 32.53 N ATOM 359 HA ARG A 337 17.922 15.241 73.527 1.00 0.00 H ATOM 360 HB2 ARG A 337 16.393 17.348 71.928 1.00 0.00 H ATOM 361 HB3 ARG A 337 18.159 17.144 72.000 1.00 0.00 H ATOM 362 HG2 ARG A 337 18.050 15.097 70.765 1.00 0.00 H ATOM 363 HG3 ARG A 337 16.275 15.057 70.877 1.00 0.00 H ATOM 364 HD2 ARG A 337 17.984 17.033 69.321 1.00 0.00 H ATOM 365 HD3 ARG A 337 16.234 17.229 69.577 1.00 0.00 H ATOM 366 HE ARG A 337 15.796 15.515 68.034 1.00 0.00 H ATOM 367 HH12 ARG A 337 19.733 14.568 67.602 1.00 0.00 H ATOM 368 HH11 ARG A 337 19.213 15.707 68.897 1.00 0.00 H ATOM 369 HH22 ARG A 337 18.181 13.642 66.188 1.00 0.00 H ATOM 370 HH21 ARG A 337 16.438 14.058 66.377 1.00 0.00 H ATOM 371 H ARG A 337 14.991 15.396 72.940 1.00 0.00 H ATOM 372 N GLN A 338 15.863 16.993 75.142 1.00 24.73 N ATOM 373 CA GLN A 338 15.634 17.974 76.190 1.00 27.03 C ATOM 374 C GLN A 338 16.549 17.750 77.398 1.00 25.69 C ATOM 375 O GLN A 338 17.072 16.652 77.601 1.00 23.58 O ATOM 376 CB GLN A 338 14.151 17.941 76.622 1.00 27.11 C ATOM 377 CG GLN A 338 13.766 16.846 77.674 1.00 27.87 C ATOM 378 CD GLN A 338 13.297 15.497 77.083 1.00 29.41 C ATOM 379 OE1 GLN A 338 12.749 14.633 77.806 1.00 28.11 O ATOM 380 NE2 GLN A 338 13.500 15.319 75.782 1.00 25.20 N ATOM 381 HA GLN A 338 15.873 18.957 75.785 1.00 0.00 H ATOM 382 HB2 GLN A 338 13.906 18.914 77.048 1.00 0.00 H ATOM 383 HB3 GLN A 338 13.547 17.774 75.730 1.00 0.00 H ATOM 384 HG2 GLN A 338 14.640 16.655 78.297 1.00 0.00 H ATOM 385 HG3 GLN A 338 12.960 17.241 78.292 1.00 0.00 H ATOM 386 HE22 GLN A 338 13.959 16.064 75.221 1.00 0.00 H ATOM 387 HE21 GLN A 338 13.200 14.434 75.325 1.00 0.00 H ATOM 388 H GLN A 338 15.106 16.318 74.914 1.00 0.00 H ATOM 389 N ASP A 339 16.751 18.797 78.195 1.00 23.31 N ATOM 390 CA ASP A 339 17.443 18.650 79.477 1.00 24.86 C ATOM 391 C ASP A 339 18.818 17.987 79.391 1.00 23.85 C ATOM 392 O ASP A 339 19.098 17.043 80.124 1.00 23.89 O ATOM 393 CB ASP A 339 16.566 17.874 80.465 1.00 23.82 C ATOM 394 CG ASP A 339 15.250 18.571 80.743 1.00 26.96 C ATOM 395 OD1 ASP A 339 15.242 19.813 80.717 1.00 26.56 O ATOM 396 OD2 ASP A 339 14.227 17.876 80.989 1.00 23.95 O ATOM 397 HA ASP A 339 17.620 19.668 79.825 1.00 0.00 H ATOM 398 HB2 ASP A 339 16.359 16.888 80.049 1.00 0.00 H ATOM 399 HB3 ASP A 339 17.109 17.764 81.404 1.00 0.00 H ATOM 400 H ASP A 339 16.412 19.735 77.902 1.00 0.00 H ATOM 401 N PRO A 340 19.698 18.494 78.510 1.00 24.24 N ATOM 402 CA PRO A 340 21.042 17.912 78.374 1.00 25.04 C ATOM 403 C PRO A 340 21.811 17.976 79.699 1.00 24.67 C ATOM 404 O PRO A 340 22.717 17.190 79.920 1.00 25.98 O ATOM 405 CB PRO A 340 21.725 18.805 77.326 1.00 29.92 C ATOM 406 CG PRO A 340 20.825 20.015 77.157 1.00 28.25 C ATOM 407 CD PRO A 340 19.445 19.581 77.540 1.00 25.44 C ATOM 408 HA PRO A 340 21.009 16.860 78.090 1.00 0.00 H ATOM 409 HD3 PRO A 340 18.891 20.398 78.002 1.00 0.00 H ATOM 410 HD2 PRO A 340 18.894 19.214 76.674 1.00 0.00 H ATOM 411 HG3 PRO A 340 20.839 20.352 76.121 1.00 0.00 H ATOM 412 HG2 PRO A 340 21.158 20.825 77.806 1.00 0.00 H ATOM 413 HB2 PRO A 340 22.711 19.112 77.674 1.00 0.00 H ATOM 414 HB3 PRO A 340 21.825 18.272 76.381 1.00 0.00 H ATOM 415 N ASP A 341 21.419 18.902 80.561 1.00 23.08 N ATOM 416 CA ASP A 341 22.005 19.065 81.893 1.00 27.24 C ATOM 417 C ASP A 341 21.646 17.908 82.820 1.00 26.20 C ATOM 418 O ASP A 341 22.208 17.780 83.908 1.00 23.61 O ATOM 419 CB ASP A 341 21.529 20.387 82.521 1.00 30.38 C ATOM 420 CG ASP A 341 20.027 20.611 82.356 1.00 31.90 C ATOM 421 OD1 ASP A 341 19.536 20.552 81.210 1.00 33.74 O ATOM 422 OD2 ASP A 341 19.340 20.875 83.369 1.00 37.25 O ATOM 423 HA ASP A 341 23.088 19.077 81.771 1.00 0.00 H ATOM 424 HB2 ASP A 341 21.765 20.373 83.585 1.00 0.00 H ATOM 425 HB3 ASP A 341 22.059 21.211 82.044 1.00 0.00 H ATOM 426 H ASP A 341 20.655 19.547 80.277 1.00 0.00 H ATOM 427 N LYS A 342 20.702 17.077 82.371 1.00 23.79 N ATOM 428 CA LYS A 342 20.231 15.928 83.136 1.00 23.14 C ATOM 429 C LYS A 342 20.471 14.627 82.389 1.00 22.66 C ATOM 430 O LYS A 342 19.963 13.581 82.801 1.00 23.66 O ATOM 431 CB LYS A 342 18.729 16.072 83.454 1.00 25.10 C ATOM 432 CG LYS A 342 18.423 17.143 84.471 1.00 25.99 C ATOM 433 CD LYS A 342 16.927 17.414 84.615 1.00 29.96 C ATOM 434 CE LYS A 342 16.672 18.387 85.771 1.00 33.88 C ATOM 435 NZ LYS A 342 15.250 18.811 85.901 1.00 30.55 N ATOM 436 HA LYS A 342 20.798 15.899 84.067 1.00 0.00 H ATOM 437 HB2 LYS A 342 18.203 16.314 82.530 1.00 0.00 H ATOM 438 HB3 LYS A 342 18.366 15.119 83.838 1.00 0.00 H ATOM 439 HG2 LYS A 342 18.814 16.827 85.438 1.00 0.00 H ATOM 440 HG3 LYS A 342 18.916 18.065 84.165 1.00 0.00 H ATOM 441 HD2 LYS A 342 16.549 17.848 83.689 1.00 0.00 H ATOM 442 HD3 LYS A 342 16.409 16.476 84.813 1.00 0.00 H ATOM 443 HE2 LYS A 342 17.282 19.276 85.613 1.00 0.00 H ATOM 444 HE3 LYS A 342 16.972 17.903 86.700 1.00 0.00 H ATOM 445 HZ1 LYS A 342 14.950 19.286 85.026 1.00 0.00 H ATOM 446 HZ2 LYS A 342 14.654 17.975 86.065 1.00 0.00 H ATOM 447 HZ3 LYS A 342 15.157 19.467 86.703 1.00 0.00 H ATOM 448 H LYS A 342 20.285 17.257 81.436 1.00 0.00 H ATOM 449 N GLN A 343 21.235 14.690 81.295 1.00 23.57 N ATOM 450 CA GLN A 343 21.609 13.498 80.543 1.00 24.02 C ATOM 451 C GLN A 343 23.013 13.041 80.909 1.00 25.75 C ATOM 452 O GLN A 343 23.997 13.684 80.525 1.00 24.05 O ATOM 453 CB GLN A 343 21.560 13.748 79.036 1.00 23.94 C ATOM 454 CG GLN A 343 20.178 13.977 78.467 1.00 22.09 C ATOM 455 CD GLN A 343 20.237 14.150 76.956 1.00 28.12 C ATOM 456 OE1 GLN A 343 21.093 13.564 76.292 1.00 32.47 O ATOM 457 NE2 GLN A 343 19.363 14.984 76.413 1.00 26.88 N ATOM 458 HA GLN A 343 20.887 12.724 80.804 1.00 0.00 H ATOM 459 HB2 GLN A 343 22.164 14.629 78.820 1.00 0.00 H ATOM 460 HB3 GLN A 343 21.992 12.881 78.536 1.00 0.00 H ATOM 461 HG2 GLN A 343 19.547 13.120 78.704 1.00 0.00 H ATOM 462 HG3 GLN A 343 19.752 14.875 78.913 1.00 0.00 H ATOM 463 HE22 GLN A 343 18.656 15.458 77.011 1.00 0.00 H ATOM 464 HE21 GLN A 343 19.383 15.165 75.389 1.00 0.00 H ATOM 465 H GLN A 343 21.574 15.618 80.970 1.00 0.00 H ATOM 466 N LEU A 344 23.091 11.939 81.655 1.00 22.12 N ATOM 467 CA LEU A 344 24.356 11.375 82.106 1.00 24.59 C ATOM 468 C LEU A 344 25.028 10.655 80.967 1.00 24.69 C ATOM 469 O LEU A 344 24.377 9.962 80.207 1.00 22.67 O ATOM 470 CB LEU A 344 24.110 10.352 83.212 1.00 21.63 C ATOM 471 CG LEU A 344 23.269 10.806 84.399 1.00 22.16 C ATOM 472 CD1 LEU A 344 23.189 9.712 85.453 1.00 23.11 C ATOM 473 CD2 LEU A 344 23.834 12.072 84.990 1.00 26.39 C ATOM 474 HA LEU A 344 24.981 12.190 82.472 1.00 0.00 H ATOM 475 HB2 LEU A 344 23.609 9.495 82.762 1.00 0.00 H ATOM 476 HB3 LEU A 344 25.082 10.043 83.596 1.00 0.00 H ATOM 477 HG LEU A 344 22.259 11.011 84.045 1.00 0.00 H ATOM 478 HD21 LEU A 344 24.855 11.890 85.326 1.00 0.00 H ATOM 479 HD22 LEU A 344 23.834 12.856 84.233 1.00 0.00 H ATOM 480 HD23 LEU A 344 23.221 12.382 85.836 1.00 0.00 H ATOM 481 HD11 LEU A 344 22.733 8.823 85.018 1.00 0.00 H ATOM 482 HD12 LEU A 344 24.193 9.473 85.803 1.00 0.00 H ATOM 483 HD13 LEU A 344 22.584 10.059 86.290 1.00 0.00 H ATOM 484 H LEU A 344 22.209 11.460 81.927 1.00 0.00 H ATOM 485 N MET A 345 26.347 10.764 80.870 1.00 23.42 N ATOM 486 CA MET A 345 27.052 10.124 79.765 1.00 24.97 C ATOM 487 C MET A 345 27.767 8.899 80.306 1.00 27.80 C ATOM 488 O MET A 345 28.522 8.997 81.282 1.00 26.01 O ATOM 489 CB MET A 345 28.053 11.111 79.144 1.00 25.20 C ATOM 490 CG MET A 345 27.442 12.433 78.747 1.00 25.99 C ATOM 491 SD MET A 345 26.214 12.302 77.424 1.00 29.11 S ATOM 492 CE MET A 345 27.207 11.790 76.037 1.00 30.47 C ATOM 493 HA MET A 345 26.351 9.823 78.986 1.00 0.00 H ATOM 494 HB2 MET A 345 28.843 11.302 79.870 1.00 0.00 H ATOM 495 HB3 MET A 345 28.483 10.650 78.255 1.00 0.00 H ATOM 496 HG2 MET A 345 28.241 13.094 78.411 1.00 0.00 H ATOM 497 HG3 MET A 345 26.959 12.866 79.623 1.00 0.00 H ATOM 498 HE1 MET A 345 27.968 12.545 75.838 1.00 0.00 H ATOM 499 HE2 MET A 345 27.688 10.839 76.267 1.00 0.00 H ATOM 500 HE3 MET A 345 26.571 11.674 75.160 1.00 0.00 H ATOM 501 H MET A 345 26.878 11.306 81.582 1.00 0.00 H ATOM 502 N CYS A 346 27.505 7.737 79.712 1.00 25.34 N ATOM 503 CA CYS A 346 28.075 6.503 80.232 1.00 24.99 C ATOM 504 C CYS A 346 29.575 6.472 79.978 1.00 27.68 C ATOM 505 O CYS A 346 30.036 6.718 78.859 1.00 26.72 O ATOM 506 CB CYS A 346 27.416 5.272 79.625 1.00 25.36 C ATOM 507 SG CYS A 346 28.128 3.728 80.220 1.00 25.76 S ATOM 508 HA CYS A 346 27.887 6.481 81.306 1.00 0.00 H ATOM 509 HB2 CYS A 346 27.532 5.314 78.542 1.00 0.00 H ATOM 510 HB3 CYS A 346 26.355 5.286 79.876 1.00 0.00 H ATOM 511 HG CYS A 346 27.479 2.665 79.626 1.00 0.00 H ATOM 512 H CYS A 346 26.891 7.711 78.873 1.00 0.00 H ATOM 513 N ASP A 347 30.323 6.185 81.034 1.00 27.21 N ATOM 514 CA ASP A 347 31.767 6.185 80.951 1.00 30.39 C ATOM 515 C ASP A 347 32.326 4.910 80.326 1.00 32.82 C ATOM 516 O ASP A 347 33.547 4.758 80.210 1.00 34.01 O ATOM 517 CB ASP A 347 32.375 6.463 82.330 1.00 29.33 C ATOM 518 CG ASP A 347 32.294 7.923 82.698 1.00 31.36 C ATOM 519 OD1 ASP A 347 32.702 8.743 81.859 1.00 32.67 O ATOM 520 OD2 ASP A 347 31.810 8.259 83.802 1.00 29.29 O ATOM 521 HA ASP A 347 32.057 6.991 80.276 1.00 0.00 H ATOM 522 HB2 ASP A 347 31.835 5.881 83.077 1.00 0.00 H ATOM 523 HB3 ASP A 347 33.422 6.159 82.321 1.00 0.00 H ATOM 524 H ASP A 347 29.863 5.956 81.938 1.00 0.00 H ATOM 525 N GLU A 348 31.443 3.997 79.924 1.00 31.71 N ATOM 526 CA GLU A 348 31.867 2.883 79.085 1.00 30.66 C ATOM 527 C GLU A 348 31.445 3.047 77.618 1.00 33.47 C ATOM 528 O GLU A 348 32.297 3.013 76.736 1.00 35.96 O ATOM 529 CB GLU A 348 31.451 1.514 79.646 1.00 34.72 C ATOM 530 CG GLU A 348 32.115 0.369 78.872 1.00 39.27 C ATOM 531 CD GLU A 348 31.672 -1.019 79.292 1.00 41.97 C ATOM 532 OE1 GLU A 348 31.547 -1.290 80.511 1.00 40.30 O ATOM 533 OE2 GLU A 348 31.463 -1.853 78.380 1.00 45.88 O ATOM 534 HA GLU A 348 32.957 2.909 79.104 1.00 0.00 H ATOM 535 HB2 GLU A 348 31.748 1.454 80.693 1.00 0.00 H ATOM 536 HB3 GLU A 348 30.368 1.413 79.570 1.00 0.00 H ATOM 537 HG2 GLU A 348 31.883 0.494 77.814 1.00 0.00 H ATOM 538 HG3 GLU A 348 33.193 0.440 79.017 1.00 0.00 H ATOM 539 H GLU A 348 30.447 4.079 80.210 1.00 0.00 H ATOM 540 N CYS A 349 30.155 3.254 77.349 1.00 29.46 N ATOM 541 CA CYS A 349 29.663 3.265 75.961 1.00 30.96 C ATOM 542 C CYS A 349 29.428 4.657 75.387 1.00 28.81 C ATOM 543 O CYS A 349 29.167 4.806 74.188 1.00 29.02 O ATOM 544 CB CYS A 349 28.378 2.440 75.840 1.00 34.44 C ATOM 545 SG CYS A 349 26.960 3.198 76.695 1.00 29.59 S ATOM 546 HA CYS A 349 30.463 2.819 75.370 1.00 0.00 H ATOM 547 HB2 CYS A 349 28.556 1.454 76.270 1.00 0.00 H ATOM 548 HB3 CYS A 349 28.131 2.335 74.784 1.00 0.00 H ATOM 549 HG CYS A 349 25.848 2.396 76.538 1.00 0.00 H ATOM 550 H CYS A 349 29.487 3.410 78.131 1.00 0.00 H ATOM 551 N ASP A 350 29.537 5.668 76.244 1.00 27.20 N ATOM 552 CA ASP A 350 29.304 7.075 75.894 1.00 29.04 C ATOM 553 C ASP A 350 27.915 7.402 75.354 1.00 30.60 C ATOM 554 O ASP A 350 27.751 8.379 74.614 1.00 30.91 O ATOM 555 CB ASP A 350 30.360 7.620 74.919 1.00 30.46 C ATOM 556 CG ASP A 350 30.622 9.111 75.127 1.00 37.81 C ATOM 557 OD1 ASP A 350 30.366 9.607 76.253 1.00 35.33 O ATOM 558 OD2 ASP A 350 31.080 9.792 74.180 1.00 40.29 O ATOM 559 HA ASP A 350 29.387 7.576 76.859 1.00 0.00 H ATOM 560 HB2 ASP A 350 31.292 7.075 75.070 1.00 0.00 H ATOM 561 HB3 ASP A 350 30.010 7.464 73.899 1.00 0.00 H ATOM 562 H ASP A 350 29.804 5.448 77.225 1.00 0.00 H ATOM 563 N MET A 351 26.919 6.601 75.710 1.00 29.74 N ATOM 564 CA MET A 351 25.544 6.963 75.394 1.00 29.63 C ATOM 565 C MET A 351 24.993 7.864 76.503 1.00 25.64 C ATOM 566 O MET A 351 25.500 7.865 77.640 1.00 24.24 O ATOM 567 CB MET A 351 24.658 5.728 75.209 1.00 28.19 C ATOM 568 CG MET A 351 24.964 4.876 73.975 1.00 31.15 C ATOM 569 SD MET A 351 24.559 5.715 72.435 1.00 35.37 S ATOM 570 CE MET A 351 24.768 4.377 71.248 1.00 40.37 C ATOM 571 HA MET A 351 25.538 7.502 74.447 1.00 0.00 H ATOM 572 HB2 MET A 351 24.773 5.097 76.090 1.00 0.00 H ATOM 573 HB3 MET A 351 23.624 6.064 75.137 1.00 0.00 H ATOM 574 HG2 MET A 351 24.384 3.955 74.034 1.00 0.00 H ATOM 575 HG3 MET A 351 26.027 4.635 73.972 1.00 0.00 H ATOM 576 HE1 MET A 351 25.795 4.014 71.289 1.00 0.00 H ATOM 577 HE2 MET A 351 24.084 3.565 71.494 1.00 0.00 H ATOM 578 HE3 MET A 351 24.551 4.745 70.245 1.00 0.00 H ATOM 579 H MET A 351 27.120 5.714 76.215 1.00 0.00 H ATOM 580 N ALA A 352 23.984 8.654 76.143 1.00 23.88 N ATOM 581 CA ALA A 352 23.349 9.616 77.055 1.00 22.81 C ATOM 582 C ALA A 352 22.074 9.027 77.639 1.00 22.93 C ATOM 583 O ALA A 352 21.349 8.303 76.948 1.00 22.06 O ATOM 584 CB ALA A 352 23.033 10.913 76.320 1.00 23.06 C ATOM 585 HA ALA A 352 24.043 9.832 77.868 1.00 0.00 H ATOM 586 HB1 ALA A 352 23.956 11.344 75.934 1.00 0.00 H ATOM 587 HB2 ALA A 352 22.354 10.704 75.493 1.00 0.00 H ATOM 588 HB3 ALA A 352 22.563 11.615 77.009 1.00 0.00 H ATOM 589 H ALA A 352 23.627 8.587 75.168 1.00 0.00 H ATOM 590 N PHE A 353 21.808 9.331 78.909 1.00 21.08 N ATOM 591 CA PHE A 353 20.600 8.859 79.591 1.00 20.64 C ATOM 592 C PHE A 353 20.033 9.939 80.491 1.00 20.83 C ATOM 593 O PHE A 353 20.719 10.364 81.423 1.00 22.12 O ATOM 594 CB PHE A 353 20.932 7.647 80.481 1.00 21.17 C ATOM 595 CG PHE A 353 21.470 6.462 79.728 1.00 23.07 C ATOM 596 CD1 PHE A 353 22.794 6.425 79.318 1.00 23.75 C ATOM 597 CD2 PHE A 353 20.654 5.385 79.439 1.00 24.29 C ATOM 598 CE1 PHE A 353 23.288 5.345 78.621 1.00 24.98 C ATOM 599 CE2 PHE A 353 21.144 4.294 78.751 1.00 25.50 C ATOM 600 CZ PHE A 353 22.470 4.276 78.341 1.00 25.18 C ATOM 601 HA PHE A 353 19.875 8.590 78.823 1.00 0.00 H ATOM 602 HB2 PHE A 353 21.678 7.954 81.214 1.00 0.00 H ATOM 603 HB3 PHE A 353 20.022 7.341 80.997 1.00 0.00 H ATOM 604 HD2 PHE A 353 19.612 5.397 79.758 1.00 0.00 H ATOM 605 HE2 PHE A 353 20.492 3.449 78.530 1.00 0.00 H ATOM 606 HZ PHE A 353 22.862 3.416 77.798 1.00 0.00 H ATOM 607 HE1 PHE A 353 24.327 5.338 78.291 1.00 0.00 H ATOM 608 HD1 PHE A 353 23.453 7.262 79.550 1.00 0.00 H ATOM 609 H PHE A 353 22.482 9.924 79.435 1.00 0.00 H ATOM 610 N HIS A 354 18.788 10.379 80.268 1.00 19.57 N ATOM 611 CA HIS A 354 18.156 11.266 81.247 1.00 18.68 C ATOM 612 C HIS A 354 18.125 10.606 82.608 1.00 20.11 C ATOM 613 O HIS A 354 17.795 9.415 82.720 1.00 19.46 O ATOM 614 CB HIS A 354 16.701 11.599 80.895 1.00 19.95 C ATOM 615 CG HIS A 354 16.533 12.484 79.696 1.00 19.92 C ATOM 616 ND1 HIS A 354 15.861 12.074 78.565 1.00 19.38 N ATOM 617 CD2 HIS A 354 16.899 13.770 79.469 1.00 21.39 C ATOM 618 CE1 HIS A 354 15.856 13.054 77.674 1.00 21.89 C ATOM 619 NE2 HIS A 354 16.460 14.101 78.209 1.00 21.63 N ATOM 620 HA HIS A 354 18.751 12.179 81.245 1.00 0.00 H ATOM 621 HB2 HIS A 354 16.175 10.664 80.703 1.00 0.00 H ATOM 622 HB3 HIS A 354 16.250 12.099 81.752 1.00 0.00 H ATOM 623 HD2 HIS A 354 17.440 14.420 80.157 1.00 0.00 H ATOM 624 HE1 HIS A 354 15.428 13.006 76.673 1.00 0.00 H ATOM 625 H HIS A 354 18.276 10.094 79.409 1.00 0.00 H ATOM 626 N ILE A 355 18.403 11.369 83.663 1.00 18.64 N ATOM 627 CA ILE A 355 18.373 10.780 85.009 1.00 19.01 C ATOM 628 C ILE A 355 16.984 10.214 85.266 1.00 18.58 C ATOM 629 O ILE A 355 16.839 9.205 85.973 1.00 18.58 O ATOM 630 CB ILE A 355 18.720 11.784 86.132 1.00 21.58 C ATOM 631 CG1 ILE A 355 17.873 13.044 86.018 1.00 21.51 C ATOM 632 CG2 ILE A 355 20.212 12.126 86.094 1.00 19.96 C ATOM 633 CD1 ILE A 355 18.198 14.067 87.125 1.00 24.30 C ATOM 634 HA ILE A 355 19.138 10.003 85.033 1.00 0.00 H ATOM 635 HB ILE A 355 18.495 11.318 87.091 1.00 0.00 H ATOM 636 HG12 ILE A 355 18.058 13.505 85.048 1.00 0.00 H ATOM 637 HG13 ILE A 355 16.821 12.768 86.093 1.00 0.00 H ATOM 638 HD11 ILE A 355 18.008 13.618 88.100 1.00 0.00 H ATOM 639 HD12 ILE A 355 19.247 14.356 87.054 1.00 0.00 H ATOM 640 HD13 ILE A 355 17.568 14.948 87.000 1.00 0.00 H ATOM 641 HG21 ILE A 355 20.796 11.216 86.235 1.00 0.00 H ATOM 642 HG22 ILE A 355 20.457 12.570 85.129 1.00 0.00 H ATOM 643 HG23 ILE A 355 20.442 12.834 86.890 1.00 0.00 H ATOM 644 H ILE A 355 18.639 12.374 83.536 1.00 0.00 H ATOM 645 N TYR A 356 15.981 10.880 84.697 1.00 18.77 N ATOM 646 CA TYR A 356 14.596 10.508 84.940 1.00 21.44 C ATOM 647 C TYR A 356 14.074 9.374 84.059 1.00 20.01 C ATOM 648 O TYR A 356 12.937 8.920 84.247 1.00 21.81 O ATOM 649 CB TYR A 356 13.682 11.734 84.887 1.00 20.45 C ATOM 650 CG TYR A 356 13.837 12.651 83.672 1.00 19.01 C ATOM 651 CD1 TYR A 356 13.500 12.222 82.405 1.00 20.47 C ATOM 652 CD2 TYR A 356 14.281 13.969 83.823 1.00 20.78 C ATOM 653 CE1 TYR A 356 13.596 13.080 81.296 1.00 21.31 C ATOM 654 CE2 TYR A 356 14.395 14.827 82.728 1.00 21.01 C ATOM 655 CZ TYR A 356 14.044 14.375 81.470 1.00 21.56 C ATOM 656 OH TYR A 356 14.135 15.218 80.385 1.00 20.05 O ATOM 657 HA TYR A 356 14.579 10.099 85.950 1.00 0.00 H ATOM 658 HB3 TYR A 356 13.876 12.330 85.779 1.00 0.00 H ATOM 659 HB2 TYR A 356 12.651 11.380 84.905 1.00 0.00 H ATOM 660 HD2 TYR A 356 14.543 14.333 84.816 1.00 0.00 H ATOM 661 HE2 TYR A 356 14.758 15.846 82.864 1.00 0.00 H ATOM 662 HE1 TYR A 356 13.318 12.725 80.303 1.00 0.00 H ATOM 663 HD1 TYR A 356 13.153 11.199 82.261 1.00 0.00 H ATOM 664 HH TYR A 356 13.550 16.004 80.529 1.00 0.00 H ATOM 665 H TYR A 356 16.192 11.681 84.068 1.00 0.00 H ATOM 666 N CYS A 357 14.889 8.900 83.122 1.00 19.56 N ATOM 667 CA CYS A 357 14.503 7.762 82.279 1.00 20.69 C ATOM 668 C CYS A 357 15.057 6.456 82.813 1.00 19.77 C ATOM 669 O CYS A 357 14.597 5.363 82.440 1.00 22.47 O ATOM 670 CB CYS A 357 14.955 7.967 80.834 1.00 22.29 C ATOM 671 SG CYS A 357 13.961 9.216 79.997 1.00 20.56 S ATOM 672 HA CYS A 357 13.415 7.706 82.302 1.00 0.00 H ATOM 673 HB2 CYS A 357 14.862 7.023 80.297 1.00 0.00 H ATOM 674 HB3 CYS A 357 15.998 8.284 80.831 1.00 0.00 H ATOM 675 HG CYS A 357 14.408 9.363 78.700 1.00 0.00 H ATOM 676 H CYS A 357 15.819 9.344 82.983 1.00 0.00 H ATOM 677 N LEU A 358 16.051 6.561 83.683 1.00 19.53 N ATOM 678 CA LEU A 358 16.689 5.373 84.255 1.00 18.28 C ATOM 679 C LEU A 358 15.700 4.636 85.145 1.00 21.50 C ATOM 680 O LEU A 358 14.714 5.220 85.591 1.00 19.95 O ATOM 681 CB LEU A 358 17.905 5.787 85.085 1.00 20.49 C ATOM 682 CG LEU A 358 19.015 6.422 84.249 1.00 18.56 C ATOM 683 CD1 LEU A 358 20.027 7.077 85.199 1.00 20.20 C ATOM 684 CD2 LEU A 358 19.705 5.365 83.412 1.00 21.58 C ATOM 685 HA LEU A 358 17.008 4.717 83.445 1.00 0.00 H ATOM 686 HB2 LEU A 358 17.583 6.507 85.838 1.00 0.00 H ATOM 687 HB3 LEU A 358 18.306 4.902 85.579 1.00 0.00 H ATOM 688 HG LEU A 358 18.591 7.171 83.580 1.00 0.00 H ATOM 689 HD21 LEU A 358 20.138 4.609 84.068 1.00 0.00 H ATOM 690 HD22 LEU A 358 18.978 4.898 82.747 1.00 0.00 H ATOM 691 HD23 LEU A 358 20.494 5.830 82.821 1.00 0.00 H ATOM 692 HD11 LEU A 358 19.525 7.841 85.793 1.00 0.00 H ATOM 693 HD12 LEU A 358 20.446 6.319 85.860 1.00 0.00 H ATOM 694 HD13 LEU A 358 20.826 7.535 84.617 1.00 0.00 H ATOM 695 H LEU A 358 16.384 7.505 83.965 1.00 0.00 H ATOM 696 N ASP A 359 15.978 3.354 85.400 1.00 22.36 N ATOM 697 CA ASP A 359 15.155 2.534 86.299 1.00 26.64 C ATOM 698 C ASP A 359 16.112 1.874 87.274 1.00 24.38 C ATOM 699 O ASP A 359 16.787 0.892 86.925 1.00 23.96 O ATOM 700 CB ASP A 359 14.409 1.460 85.495 1.00 28.75 C ATOM 701 CG ASP A 359 13.480 0.615 86.354 1.00 33.78 C ATOM 702 OD1 ASP A 359 13.442 0.786 87.595 1.00 28.77 O ATOM 703 OD2 ASP A 359 12.776 -0.226 85.768 1.00 38.52 O ATOM 704 HA ASP A 359 14.413 3.141 86.818 1.00 0.00 H ATOM 705 HB2 ASP A 359 13.818 1.952 84.723 1.00 0.00 H ATOM 706 HB3 ASP A 359 15.143 0.804 85.027 1.00 0.00 H ATOM 707 H ASP A 359 16.807 2.921 84.945 1.00 0.00 H ATOM 708 N PRO A 360 16.191 2.405 88.503 1.00 24.55 N ATOM 709 CA PRO A 360 15.335 3.461 89.049 1.00 22.52 C ATOM 710 C PRO A 360 15.748 4.841 88.567 1.00 20.43 C ATOM 711 O PRO A 360 16.929 5.080 88.319 1.00 21.44 O ATOM 712 CB PRO A 360 15.616 3.385 90.548 1.00 22.98 C ATOM 713 CG PRO A 360 17.080 2.932 90.599 1.00 24.10 C ATOM 714 CD PRO A 360 17.154 1.903 89.497 1.00 26.66 C ATOM 715 HA PRO A 360 14.294 3.323 88.757 1.00 0.00 H ATOM 716 HD3 PRO A 360 18.159 1.851 89.077 1.00 0.00 H ATOM 717 HD2 PRO A 360 16.863 0.918 89.861 1.00 0.00 H ATOM 718 HG3 PRO A 360 17.320 2.490 91.566 1.00 0.00 H ATOM 719 HG2 PRO A 360 17.755 3.765 90.404 1.00 0.00 H ATOM 720 HB2 PRO A 360 15.490 4.359 91.021 1.00 0.00 H ATOM 721 HB3 PRO A 360 14.963 2.659 91.033 1.00 0.00 H ATOM 722 N PRO A 361 14.787 5.758 88.488 1.00 22.31 N ATOM 723 CA PRO A 361 15.110 7.119 88.063 1.00 20.39 C ATOM 724 C PRO A 361 15.813 7.860 89.201 1.00 22.85 C ATOM 725 O PRO A 361 15.499 7.614 90.361 1.00 21.17 O ATOM 726 CB PRO A 361 13.745 7.740 87.783 1.00 23.09 C ATOM 727 CG PRO A 361 12.760 6.904 88.566 1.00 22.95 C ATOM 728 CD PRO A 361 13.347 5.548 88.730 1.00 22.16 C ATOM 729 HA PRO A 361 15.775 7.159 87.200 1.00 0.00 H ATOM 730 HD3 PRO A 361 13.173 5.168 89.737 1.00 0.00 H ATOM 731 HD2 PRO A 361 12.928 4.852 88.003 1.00 0.00 H ATOM 732 HG3 PRO A 361 11.816 6.837 88.024 1.00 0.00 H ATOM 733 HG2 PRO A 361 12.585 7.354 89.543 1.00 0.00 H ATOM 734 HB2 PRO A 361 13.720 8.776 88.120 1.00 0.00 H ATOM 735 HB3 PRO A 361 13.518 7.700 86.718 1.00 0.00 H ATOM 736 N LEU A 362 16.761 8.733 88.870 1.00 20.58 N ATOM 737 CA LEU A 362 17.512 9.475 89.894 1.00 19.43 C ATOM 738 C LEU A 362 16.968 10.892 89.982 1.00 22.11 C ATOM 739 O LEU A 362 16.664 11.481 88.950 1.00 20.60 O ATOM 740 CB LEU A 362 18.995 9.534 89.521 1.00 21.77 C ATOM 741 CG LEU A 362 19.742 8.240 89.223 1.00 23.98 C ATOM 742 CD1 LEU A 362 21.210 8.526 88.911 1.00 24.81 C ATOM 743 CD2 LEU A 362 19.629 7.239 90.363 1.00 26.39 C ATOM 744 HA LEU A 362 17.403 8.968 90.853 1.00 0.00 H ATOM 745 HB2 LEU A 362 19.075 10.159 88.632 1.00 0.00 H ATOM 746 HB3 LEU A 362 19.513 10.016 90.350 1.00 0.00 H ATOM 747 HG LEU A 362 19.273 7.792 88.347 1.00 0.00 H ATOM 748 HD21 LEU A 362 20.050 7.674 91.270 1.00 0.00 H ATOM 749 HD22 LEU A 362 18.579 6.996 90.528 1.00 0.00 H ATOM 750 HD23 LEU A 362 20.177 6.333 90.105 1.00 0.00 H ATOM 751 HD11 LEU A 362 21.275 9.180 88.041 1.00 0.00 H ATOM 752 HD12 LEU A 362 21.674 9.013 89.769 1.00 0.00 H ATOM 753 HD13 LEU A 362 21.725 7.588 88.701 1.00 0.00 H ATOM 754 H LEU A 362 16.976 8.894 87.865 1.00 0.00 H ATOM 755 N SER A 363 16.836 11.436 91.199 1.00 20.39 N ATOM 756 CA SER A 363 16.304 12.794 91.382 1.00 24.34 C ATOM 757 C SER A 363 17.348 13.856 91.084 1.00 25.11 C ATOM 758 O SER A 363 17.009 15.035 90.939 1.00 27.62 O ATOM 759 CB SER A 363 15.821 13.028 92.824 1.00 25.85 C ATOM 760 OG SER A 363 14.940 12.023 93.257 1.00 28.04 O ATOM 761 HA SER A 363 15.471 12.876 90.684 1.00 0.00 H ATOM 762 HB2 SER A 363 15.309 13.989 92.872 1.00 0.00 H ATOM 763 HB3 SER A 363 16.687 13.046 93.486 1.00 0.00 H ATOM 764 HG SER A 363 14.656 12.213 94.186 1.00 0.00 H ATOM 765 H SER A 363 17.117 10.884 92.035 1.00 0.00 H ATOM 766 N SER A 364 18.619 13.463 91.040 1.00 24.17 N ATOM 767 CA SER A 364 19.675 14.400 90.670 1.00 24.87 C ATOM 768 C SER A 364 20.906 13.713 90.079 1.00 25.76 C ATOM 769 O SER A 364 21.047 12.493 90.156 1.00 24.05 O ATOM 770 CB SER A 364 20.054 15.293 91.856 1.00 31.55 C ATOM 771 OG SER A 364 20.409 14.513 92.975 1.00 28.98 O ATOM 772 HA SER A 364 19.268 15.029 89.878 1.00 0.00 H ATOM 773 HB2 SER A 364 19.204 15.924 92.115 1.00 0.00 H ATOM 774 HB3 SER A 364 20.899 15.921 91.575 1.00 0.00 H ATOM 775 HG SER A 364 20.650 15.109 93.728 1.00 0.00 H ATOM 776 H SER A 364 18.862 12.479 91.272 1.00 0.00 H ATOM 777 N VAL A 365 21.785 14.506 89.461 1.00 25.38 N ATOM 778 CA VAL A 365 23.000 13.973 88.849 1.00 24.94 C ATOM 779 C VAL A 365 23.959 13.468 89.925 1.00 28.51 C ATOM 780 O VAL A 365 24.232 14.188 90.874 1.00 28.06 O ATOM 781 CB VAL A 365 23.694 15.061 88.003 1.00 29.18 C ATOM 782 CG1 VAL A 365 25.028 14.572 87.483 1.00 27.98 C ATOM 783 CG2 VAL A 365 22.781 15.508 86.850 1.00 29.56 C ATOM 784 HA VAL A 365 22.723 13.141 88.202 1.00 0.00 H ATOM 785 HB VAL A 365 23.884 15.924 88.641 1.00 0.00 H ATOM 786 HG11 VAL A 365 25.673 14.317 88.324 1.00 0.00 H ATOM 787 HG12 VAL A 365 24.873 13.690 86.862 1.00 0.00 H ATOM 788 HG13 VAL A 365 25.496 15.358 86.890 1.00 0.00 H ATOM 789 HG21 VAL A 365 22.556 14.652 86.213 1.00 0.00 H ATOM 790 HG22 VAL A 365 21.854 15.912 87.258 1.00 0.00 H ATOM 791 HG23 VAL A 365 23.287 16.275 86.264 1.00 0.00 H ATOM 792 H VAL A 365 21.600 15.528 89.414 1.00 0.00 H ATOM 793 N PRO A 366 24.454 12.224 89.795 1.00 25.21 N ATOM 794 CA PRO A 366 25.383 11.661 90.787 1.00 27.92 C ATOM 795 C PRO A 366 26.650 12.510 90.941 1.00 29.61 C ATOM 796 O PRO A 366 27.095 13.097 89.965 1.00 30.88 O ATOM 797 CB PRO A 366 25.768 10.314 90.188 1.00 28.73 C ATOM 798 CG PRO A 366 24.631 9.967 89.262 1.00 30.92 C ATOM 799 CD PRO A 366 24.125 11.257 88.729 1.00 26.03 C ATOM 800 HA PRO A 366 24.926 11.607 91.775 1.00 0.00 H ATOM 801 HD3 PRO A 366 24.627 11.518 87.797 1.00 0.00 H ATOM 802 HD2 PRO A 366 23.049 11.214 88.560 1.00 0.00 H ATOM 803 HG3 PRO A 366 23.843 9.448 89.808 1.00 0.00 H ATOM 804 HG2 PRO A 366 24.985 9.334 88.448 1.00 0.00 H ATOM 805 HB2 PRO A 366 26.704 10.392 89.635 1.00 0.00 H ATOM 806 HB3 PRO A 366 25.871 9.561 90.969 1.00 0.00 H ATOM 807 N SER A 367 27.218 12.534 92.144 1.00 29.12 N ATOM 808 CA SER A 367 28.426 13.306 92.427 1.00 35.12 C ATOM 809 C SER A 367 29.696 12.580 92.009 1.00 33.36 C ATOM 810 O SER A 367 30.728 13.213 91.823 1.00 34.61 O ATOM 811 CB SER A 367 28.527 13.596 93.932 1.00 36.04 C ATOM 812 OG SER A 367 27.489 14.459 94.362 1.00 43.18 O ATOM 813 HA SER A 367 28.343 14.227 91.850 1.00 0.00 H ATOM 814 HB2 SER A 367 29.488 14.066 94.139 1.00 0.00 H ATOM 815 HB3 SER A 367 28.458 12.656 94.480 1.00 0.00 H ATOM 816 HG SER A 367 27.582 14.626 95.333 1.00 0.00 H ATOM 817 H SER A 367 26.786 11.982 92.912 1.00 0.00 H ATOM 818 N GLU A 368 29.645 11.252 91.906 1.00 32.24 N ATOM 819 CA GLU A 368 30.884 10.505 91.708 1.00 34.11 C ATOM 820 C GLU A 368 31.446 10.704 90.315 1.00 34.95 C ATOM 821 O GLU A 368 30.706 10.991 89.368 1.00 30.25 O ATOM 822 CB GLU A 368 30.743 9.013 92.045 1.00 35.84 C ATOM 823 CG GLU A 368 29.341 8.462 91.957 1.00 41.64 C ATOM 824 CD GLU A 368 28.505 8.769 93.190 1.00 40.72 C ATOM 825 OE1 GLU A 368 29.044 8.787 94.319 1.00 45.12 O ATOM 826 OE2 GLU A 368 27.292 8.986 93.025 1.00 43.02 O ATOM 827 HA GLU A 368 31.600 10.918 92.418 1.00 0.00 H ATOM 828 HB2 GLU A 368 31.370 8.450 91.353 1.00 0.00 H ATOM 829 HB3 GLU A 368 31.101 8.862 93.063 1.00 0.00 H ATOM 830 HG2 GLU A 368 28.850 8.897 91.087 1.00 0.00 H ATOM 831 HG3 GLU A 368 29.399 7.380 91.837 1.00 0.00 H ATOM 832 H GLU A 368 28.734 10.754 91.966 1.00 0.00 H ATOM 833 N ASP A 369 32.761 10.539 90.208 1.00 31.90 N ATOM 834 CA ASP A 369 33.501 10.820 88.984 1.00 33.25 C ATOM 835 C ASP A 369 32.889 10.131 87.793 1.00 31.81 C ATOM 836 O ASP A 369 32.601 10.766 86.762 1.00 33.53 O ATOM 837 CB ASP A 369 34.934 10.312 89.116 1.00 34.07 C ATOM 838 CG ASP A 369 35.781 11.202 89.966 1.00 40.48 C ATOM 839 OD1 ASP A 369 35.531 12.420 89.942 1.00 40.50 O ATOM 840 OD2 ASP A 369 36.696 10.687 90.646 1.00 42.57 O ATOM 841 HA ASP A 369 33.474 11.899 88.835 1.00 0.00 H ATOM 842 HB2 ASP A 369 34.913 9.318 89.563 1.00 0.00 H ATOM 843 HB3 ASP A 369 35.377 10.253 88.122 1.00 0.00 H ATOM 844 H ASP A 369 33.286 10.193 91.036 1.00 0.00 H ATOM 845 N GLU A 370 32.731 8.817 87.922 1.00 31.84 N ATOM 846 CA GLU A 370 32.285 8.005 86.799 1.00 30.52 C ATOM 847 C GLU A 370 30.896 7.455 87.014 1.00 29.27 C ATOM 848 O GLU A 370 30.448 7.236 88.140 1.00 27.02 O ATOM 849 CB GLU A 370 33.215 6.827 86.566 1.00 34.45 C ATOM 850 CG GLU A 370 34.666 7.178 86.457 1.00 38.31 C ATOM 851 CD GLU A 370 35.456 6.418 87.484 1.00 44.28 C ATOM 852 OE1 GLU A 370 36.117 7.079 88.304 1.00 48.92 O ATOM 853 OE2 GLU A 370 35.378 5.165 87.497 1.00 48.63 O ATOM 854 HA GLU A 370 32.287 8.668 85.934 1.00 0.00 H ATOM 855 HB2 GLU A 370 33.096 6.133 87.398 1.00 0.00 H ATOM 856 HB3 GLU A 370 32.915 6.337 85.640 1.00 0.00 H ATOM 857 HG2 GLU A 370 35.026 6.921 85.461 1.00 0.00 H ATOM 858 HG3 GLU A 370 34.793 8.248 86.623 1.00 0.00 H ATOM 859 H GLU A 370 32.929 8.364 88.837 1.00 0.00 H ATOM 860 N TRP A 371 30.225 7.219 85.904 1.00 29.37 N ATOM 861 CA TRP A 371 28.888 6.678 85.945 1.00 28.58 C ATOM 862 C TRP A 371 28.760 5.676 84.817 1.00 26.46 C ATOM 863 O TRP A 371 29.235 5.911 83.707 1.00 27.25 O ATOM 864 CB TRP A 371 27.859 7.798 85.811 1.00 27.08 C ATOM 865 CG TRP A 371 26.490 7.267 85.775 1.00 25.32 C ATOM 866 CD1 TRP A 371 25.718 6.915 86.844 1.00 24.65 C ATOM 867 CD2 TRP A 371 25.726 6.990 84.609 1.00 24.23 C ATOM 868 NE1 TRP A 371 24.506 6.428 86.409 1.00 25.71 N ATOM 869 CE2 TRP A 371 24.484 6.475 85.036 1.00 24.30 C ATOM 870 CE3 TRP A 371 25.972 7.122 83.240 1.00 23.11 C ATOM 871 CZ2 TRP A 371 23.495 6.098 84.145 1.00 22.08 C ATOM 872 CZ3 TRP A 371 24.987 6.766 82.361 1.00 23.38 C ATOM 873 CH2 TRP A 371 23.766 6.241 82.811 1.00 23.87 C ATOM 874 HA TRP A 371 28.702 6.183 86.898 1.00 0.00 H ATOM 875 HB2 TRP A 371 27.956 8.472 86.662 1.00 0.00 H ATOM 876 HB3 TRP A 371 28.051 8.348 84.890 1.00 0.00 H ATOM 877 HE1 TRP A 371 23.736 6.083 87.017 1.00 0.00 H ATOM 878 HD1 TRP A 371 26.017 7.006 87.888 1.00 0.00 H ATOM 879 HZ2 TRP A 371 22.540 5.703 84.491 1.00 0.00 H ATOM 880 HH2 TRP A 371 23.015 5.940 82.081 1.00 0.00 H ATOM 881 HZ3 TRP A 371 25.153 6.892 81.291 1.00 0.00 H ATOM 882 HE3 TRP A 371 26.929 7.501 82.880 1.00 0.00 H ATOM 883 H TRP A 371 30.666 7.426 84.985 1.00 0.00 H ATOM 884 N TYR A 372 28.141 4.541 85.126 1.00 27.21 N ATOM 885 CA TYR A 372 27.929 3.476 84.149 1.00 28.02 C ATOM 886 C TYR A 372 26.448 3.159 84.004 1.00 26.37 C ATOM 887 O TYR A 372 25.720 3.026 84.998 1.00 25.27 O ATOM 888 CB TYR A 372 28.735 2.239 84.540 1.00 29.07 C ATOM 889 CG TYR A 372 30.196 2.586 84.586 1.00 30.59 C ATOM 890 CD1 TYR A 372 30.931 2.690 83.414 1.00 29.97 C ATOM 891 CD2 TYR A 372 30.823 2.891 85.788 1.00 33.37 C ATOM 892 CE1 TYR A 372 32.271 3.053 83.434 1.00 33.41 C ATOM 893 CE2 TYR A 372 32.169 3.251 85.822 1.00 33.67 C ATOM 894 CZ TYR A 372 32.885 3.323 84.637 1.00 34.25 C ATOM 895 OH TYR A 372 34.221 3.679 84.644 1.00 36.27 O ATOM 896 HA TYR A 372 28.282 3.815 83.175 1.00 0.00 H ATOM 897 HB3 TYR A 372 28.571 1.451 83.805 1.00 0.00 H ATOM 898 HB2 TYR A 372 28.413 1.891 85.521 1.00 0.00 H ATOM 899 HD2 TYR A 372 30.254 2.848 86.717 1.00 0.00 H ATOM 900 HE2 TYR A 372 32.655 3.474 86.772 1.00 0.00 H ATOM 901 HE1 TYR A 372 32.834 3.124 82.503 1.00 0.00 H ATOM 902 HD1 TYR A 372 30.447 2.483 82.459 1.00 0.00 H ATOM 903 HH TYR A 372 34.566 3.678 83.716 1.00 0.00 H ATOM 904 H TYR A 372 27.795 4.406 86.098 1.00 0.00 H ATOM 905 N CYS A 373 26.024 3.054 82.751 1.00 25.82 N ATOM 906 CA CYS A 373 24.623 2.894 82.402 1.00 25.76 C ATOM 907 C CYS A 373 24.128 1.475 82.681 1.00 28.87 C ATOM 908 O CYS A 373 24.904 0.599 83.058 1.00 28.55 O ATOM 909 CB CYS A 373 24.411 3.268 80.930 1.00 26.45 C ATOM 910 SG CYS A 373 24.786 1.953 79.742 1.00 25.76 S ATOM 911 HA CYS A 373 24.036 3.565 83.029 1.00 0.00 H ATOM 912 HB2 CYS A 373 25.050 4.121 80.703 1.00 0.00 H ATOM 913 HB3 CYS A 373 23.367 3.553 80.801 1.00 0.00 H ATOM 914 HG CYS A 373 24.556 2.413 78.461 1.00 0.00 H ATOM 915 H CYS A 373 26.726 3.088 81.985 1.00 0.00 H ATOM 916 N PRO A 374 22.818 1.254 82.542 1.00 26.66 N ATOM 917 CA PRO A 374 22.279 -0.078 82.848 1.00 29.34 C ATOM 918 C PRO A 374 22.859 -1.167 81.947 1.00 27.62 C ATOM 919 O PRO A 374 22.873 -2.327 82.333 1.00 28.95 O ATOM 920 CB PRO A 374 20.784 0.079 82.572 1.00 29.11 C ATOM 921 CG PRO A 374 20.514 1.531 82.752 1.00 32.69 C ATOM 922 CD PRO A 374 21.755 2.245 82.303 1.00 28.37 C ATOM 923 HA PRO A 374 22.520 -0.386 83.865 1.00 0.00 H ATOM 924 HD3 PRO A 374 21.695 2.507 81.247 1.00 0.00 H ATOM 925 HD2 PRO A 374 21.922 3.147 82.891 1.00 0.00 H ATOM 926 HG3 PRO A 374 20.309 1.751 83.800 1.00 0.00 H ATOM 927 HG2 PRO A 374 19.662 1.836 82.145 1.00 0.00 H ATOM 928 HB2 PRO A 374 20.546 -0.233 81.555 1.00 0.00 H ATOM 929 HB3 PRO A 374 20.199 -0.511 83.278 1.00 0.00 H ATOM 930 N GLU A 375 23.321 -0.806 80.759 1.00 27.13 N ATOM 931 CA GLU A 375 23.854 -1.804 79.835 1.00 29.16 C ATOM 932 C GLU A 375 25.292 -2.177 80.157 1.00 31.55 C ATOM 933 O GLU A 375 25.770 -3.248 79.775 1.00 32.50 O ATOM 934 CB GLU A 375 23.770 -1.290 78.400 1.00 30.17 C ATOM 935 CG GLU A 375 22.363 -0.958 77.985 1.00 27.63 C ATOM 936 CD GLU A 375 22.281 -0.491 76.544 1.00 29.91 C ATOM 937 OE1 GLU A 375 23.338 -0.301 75.913 1.00 30.96 O ATOM 938 OE2 GLU A 375 21.155 -0.298 76.068 1.00 30.84 O ATOM 939 HA GLU A 375 23.245 -2.701 79.946 1.00 0.00 H ATOM 940 HB2 GLU A 375 24.381 -0.391 78.315 1.00 0.00 H ATOM 941 HB3 GLU A 375 24.160 -2.057 77.731 1.00 0.00 H ATOM 942 HG2 GLU A 375 21.744 -1.848 78.101 1.00 0.00 H ATOM 943 HG3 GLU A 375 21.984 -0.167 78.632 1.00 0.00 H ATOM 944 H GLU A 375 23.304 0.196 80.482 1.00 0.00 H ATOM 945 N CYS A 376 25.982 -1.287 80.858 1.00 31.55 N ATOM 946 CA CYS A 376 27.418 -1.442 81.065 1.00 31.89 C ATOM 947 C CYS A 376 27.781 -1.742 82.510 1.00 32.76 C ATOM 948 O CYS A 376 28.827 -2.320 82.765 1.00 35.86 O ATOM 949 CB CYS A 376 28.167 -0.193 80.593 1.00 30.45 C ATOM 950 SG CYS A 376 28.030 0.153 78.826 1.00 30.89 S ATOM 951 HA CYS A 376 27.722 -2.303 80.470 1.00 0.00 H ATOM 952 HB2 CYS A 376 29.223 -0.320 80.833 1.00 0.00 H ATOM 953 HB3 CYS A 376 27.773 0.665 81.138 1.00 0.00 H ATOM 954 HG CYS A 376 28.743 1.296 78.526 1.00 0.00 H ATOM 955 H CYS A 376 25.492 -0.466 81.266 1.00 0.00 H ATOM 956 N ARG A 377 26.916 -1.353 83.445 1.00 31.01 N ATOM 957 CA ARG A 377 27.208 -1.485 84.878 1.00 34.59 C ATOM 958 C ARG A 377 27.354 -2.953 85.299 1.00 38.10 C ATOM 959 O ARG A 377 26.622 -3.818 84.818 1.00 35.35 O ATOM 960 CB ARG A 377 26.097 -0.825 85.704 1.00 34.19 C ATOM 961 CG ARG A 377 26.368 -0.750 87.201 1.00 40.03 C ATOM 962 CD ARG A 377 25.362 0.160 87.922 1.00 39.69 C ATOM 963 NE ARG A 377 25.611 0.272 89.365 1.00 42.17 N ATOM 964 CZ ARG A 377 25.119 1.246 90.130 1.00 45.37 C ATOM 965 NH1 ARG A 377 24.360 2.195 89.585 1.00 45.05 N ATOM 966 NH2 ARG A 377 25.391 1.284 91.435 1.00 43.54 N ATOM 967 HA ARG A 377 28.158 -0.984 85.065 1.00 0.00 H ATOM 968 HB2 ARG A 377 25.957 0.191 85.334 1.00 0.00 H ATOM 969 HB3 ARG A 377 25.180 -1.394 85.554 1.00 0.00 H ATOM 970 HG2 ARG A 377 26.301 -1.753 87.622 1.00 0.00 H ATOM 971 HG3 ARG A 377 27.373 -0.358 87.358 1.00 0.00 H ATOM 972 HD2 ARG A 377 24.361 -0.245 87.774 1.00 0.00 H ATOM 973 HD3 ARG A 377 25.419 1.156 87.482 1.00 0.00 H ATOM 974 HE ARG A 377 26.206 -0.451 89.816 1.00 0.00 H ATOM 975 HH12 ARG A 377 23.974 2.957 90.178 1.00 0.00 H ATOM 976 HH11 ARG A 377 24.153 2.174 88.566 1.00 0.00 H ATOM 977 HH22 ARG A 377 25.003 2.048 92.025 1.00 0.00 H ATOM 978 HH21 ARG A 377 25.991 0.550 91.863 1.00 0.00 H ATOM 979 H ARG A 377 26.006 -0.943 83.151 1.00 0.00 H ATOM 980 N ASN A 378 28.296 -3.225 86.200 1.00 40.00 N ATOM 981 CA ASN A 378 28.444 -4.558 86.777 1.00 39.70 C ATOM 982 C ASN A 378 27.263 -4.920 87.667 1.00 42.47 C ATOM 983 O ASN A 378 26.601 -4.037 88.229 1.00 39.98 O ATOM 984 CB ASN A 378 29.711 -4.634 87.630 1.00 40.44 C ATOM 985 CG ASN A 378 30.969 -4.329 86.847 1.00 43.21 C ATOM 986 OD1 ASN A 378 31.072 -4.645 85.656 1.00 44.40 O ATOM 987 ND2 ASN A 378 31.948 -3.723 87.519 1.00 44.14 N ATOM 988 HA ASN A 378 28.498 -5.257 85.942 1.00 0.00 H ATOM 989 HB2 ASN A 378 29.625 -3.915 88.445 1.00 0.00 H ATOM 990 HB3 ASN A 378 29.793 -5.640 88.042 1.00 0.00 H ATOM 991 HD22 ASN A 378 31.816 -3.476 88.521 1.00 0.00 H ATOM 992 HD21 ASN A 378 32.844 -3.497 87.042 1.00 0.00 H ATOM 993 H ASN A 378 28.943 -2.468 86.500 1.00 0.00 H ATOM 994 N ASP A 379 27.028 -6.220 87.831 1.00 43.05 N ATOM 995 CA ASP A 379 25.991 -6.700 88.744 1.00 42.67 C ATOM 996 C ASP A 379 26.261 -6.203 90.165 1.00 41.62 C ATOM 997 O ASP A 379 27.389 -6.295 90.658 1.00 41.81 O ATOM 998 CB ASP A 379 25.921 -8.234 88.732 1.00 44.29 C ATOM 999 CG ASP A 379 25.662 -8.801 87.342 1.00 52.57 C ATOM 1000 OD1 ASP A 379 24.978 -8.127 86.537 1.00 48.24 O ATOM 1001 OD2 ASP A 379 26.143 -9.926 87.060 1.00 54.66 O ATOM 1002 HA ASP A 379 25.033 -6.306 88.405 1.00 0.00 H ATOM 1003 HB2 ASP A 379 26.868 -8.629 89.099 1.00 0.00 H ATOM 1004 HB3 ASP A 379 25.115 -8.552 89.394 1.00 0.00 H ATOM 1005 H ASP A 379 27.595 -6.910 87.298 1.00 0.00 H ATOM 1006 N ALA A 380 25.228 -5.675 90.817 1.00 40.95 N ATOM 1007 CA ALA A 380 25.386 -5.069 92.142 1.00 42.55 C ATOM 1008 C ALA A 380 25.432 -6.123 93.241 1.00 41.69 C ATOM 1009 O ALA A 380 25.945 -5.869 94.337 1.00 39.90 O ATOM 1010 CB ALA A 380 24.275 -4.057 92.416 1.00 40.82 C ATOM 1011 HA ALA A 380 26.341 -4.544 92.146 1.00 0.00 H ATOM 1012 OXT ALA A 380 24.970 -7.255 93.046 1.00 40.90 O ATOM 1013 HB1 ALA A 380 24.309 -3.269 91.664 1.00 0.00 H ATOM 1014 HB2 ALA A 380 23.309 -4.560 92.373 1.00 0.00 H ATOM 1015 HB3 ALA A 380 24.417 -3.623 93.406 1.00 0.00 H ATOM 1016 H ALA A 380 24.286 -5.693 90.376 1.00 0.00 H TER 1017 ALA A 380 HETATM 1018 ZN ZN A 1 20.720 11.008 66.016 1.00 35.17 ZN HETATM 1019 ZN ZN A 2 15.180 10.031 78.232 1.00 27.53 ZN HETATM 1020 ZN ZN A 3 26.935 2.250 78.830 1.00 35.46 ZN HETATM 1021 ZN ZN A 4 21.117 0.076 74.082 1.00 41.26 ZN HETATM 1022 O HOH 5 15.994 21.394 77.575 1.00 31.02 O HETATM 1023 O HOH 6 23.017 8.676 73.278 1.00 25.60 O HETATM 1024 O HOH 7 22.131 4.872 87.603 1.00 27.77 O HETATM 1025 O HOH 8 13.542 11.491 88.612 1.00 29.07 O HETATM 1026 O HOH 9 29.759 9.999 83.567 1.00 28.90 O HETATM 1027 O HOH 10 26.356 8.996 70.006 1.00 39.51 O HETATM 1028 O HOH 11 13.141 18.643 83.445 1.00 24.73 O HETATM 1029 O HOH 12 20.668 3.033 90.479 1.00 26.74 O HETATM 1030 O HOH 13 13.973 18.638 70.472 1.00 38.98 O HETATM 1031 O HOH 14 37.588 7.920 90.319 1.00 42.69 O HETATM 1032 O HOH 15 22.510 15.085 66.080 1.00 34.14 O HETATM 1033 O HOH 16 11.659 15.363 73.659 1.00 31.60 O HETATM 1034 O HOH 17 22.371 4.623 92.225 1.00 29.08 O HETATM 1035 O HOH 18 13.808 15.954 71.768 1.00 27.95 O HETATM 1036 O HOH 19 20.500 15.517 70.591 1.00 33.41 O HETATM 1037 O HOH 20 10.562 10.379 73.555 1.00 28.85 O HETATM 1038 O HOH 21 13.830 16.529 86.131 1.00 29.93 O HETATM 1039 O HOH 22 19.732 2.190 86.196 1.00 34.45 O HETATM 1040 O HOH 23 14.442 19.994 73.845 1.00 40.51 O HETATM 1041 O HOH 24 23.720 5.766 90.159 1.00 35.88 O HETATM 1042 O HOH 25 26.902 13.721 96.813 1.00 42.78 O HETATM 1043 O HOH 26 23.063 -4.943 86.449 1.00 47.42 O HETATM 1044 O HOH 27 18.395 20.299 74.006 1.00 37.29 O HETATM 1045 O HOH 28 12.926 4.629 80.516 1.00 29.84 O HETATM 1046 O HOH 29 25.049 1.789 74.797 1.00 35.96 O HETATM 1047 O HOH 30 18.083 2.130 84.105 1.00 32.36 O HETATM 1048 O HOH 31 11.280 12.778 74.146 1.00 29.95 O HETATM 1049 O HOH 32 16.252 20.773 83.359 1.00 36.25 O HETATM 1050 O HOH 33 27.307 6.794 68.882 1.00 48.89 O HETATM 1051 O HOH 34 23.250 2.763 85.944 1.00 34.14 O HETATM 1052 O HOH 35 9.827 5.344 70.000 1.00 44.02 O HETATM 1053 O HOH 36 20.540 17.555 73.777 1.00 35.31 O HETATM 1054 O HOH 37 26.459 9.332 62.748 1.00 40.87 O HETATM 1055 O HOH 38 19.386 0.727 77.652 1.00 38.67 O HETATM 1056 O HOH 39 37.579 9.886 92.968 1.00 38.64 O HETATM 1057 O HOH 40 18.267 -0.355 79.775 1.00 39.30 O HETATM 1058 O HOH 41 10.432 3.839 81.311 1.00 35.78 O HETATM 1059 O HOH 42 17.127 0.711 82.290 1.00 35.57 O HETATM 1060 O HOH 43 22.063 0.473 86.672 1.00 37.48 O HETATM 1061 O HOH 44 25.722 2.751 62.682 1.00 35.85 O HETATM 1062 O HOH 45 26.006 10.896 93.939 1.00 36.73 O HETATM 1063 O HOH 46 27.645 3.712 88.017 1.00 33.96 O HETATM 1064 O HOH 47 18.003 -1.336 88.454 1.00 45.47 O HETATM 1065 O HOH 48 17.838 -1.295 91.133 1.00 39.28 O HETATM 1066 O HOH 49 13.854 12.659 95.761 1.00 32.46 O HETATM 1067 O HOH 50 14.547 14.718 88.016 1.00 39.52 O HETATM 1068 O HOH 51 11.980 2.027 82.798 1.00 44.09 O HETATM 1069 O HOH 52 19.406 4.114 88.142 1.00 24.46 O HETATM 1070 O HOH 53 27.890 28.187 80.972 1.00 53.06 O HETATM 1071 O HOH 54 20.649 15.329 73.389 1.00 35.55 O HETATM 1072 O HOH 55 29.816 18.874 80.562 1.00 42.85 O HETATM 1073 O HOH 56 29.078 25.991 79.784 1.00 53.45 O HETATM 1074 O HOH 57 28.579 15.574 88.745 1.00 39.16 O HETATM 1075 N ALA A 58 29.650 12.972 87.730 1.00 0.24 N HETATM 1076 CA ALA A 58 29.401 12.302 86.457 1.00 0.06 C HETATM 1077 C ALA A 58 29.328 13.314 85.320 1.00 0.23 C HETATM 1078 O ALA A 58 29.006 14.478 85.538 1.00 -0.39 O HETATM 1079 N ALA A 58 29.641 12.868 84.112 1.00 -0.26 N HETATM 1080 CA ALA A 58 29.528 13.730 82.944 1.00 0.13 C HETATM 1081 C ALA A 58 28.079 13.873 82.545 1.00 0.20 C HETATM 1082 O ALA A 58 27.338 12.892 82.585 1.00 -0.39 O HETATM 1083 N ALA A 58 27.674 15.083 82.165 1.00 -0.26 N HETATM 1084 CA ALA A 58 26.362 15.274 81.555 1.00 0.16 C HETATM 1085 C ALA A 58 26.579 15.847 80.164 1.00 0.21 C HETATM 1086 O ALA A 58 27.670 16.337 79.849 1.00 -0.39 O HETATM 1087 N ALA A 58 25.566 15.762 79.318 1.00 -0.26 N HETATM 1088 CA ALA A 58 25.720 16.225 77.950 1.00 0.13 C HETATM 1089 C ALA A 58 26.063 17.716 77.931 1.00 0.20 C HETATM 1090 O ALA A 58 26.765 18.198 77.038 1.00 -0.39 O HETATM 1091 N ALA A 58 25.581 18.427 78.943 1.00 -0.26 N HETATM 1092 CA ALA A 58 25.853 19.849 79.118 1.00 0.13 C HETATM 1093 C ALA A 58 25.973 20.161 80.606 1.00 0.20 C HETATM 1094 O ALA A 58 25.345 19.502 81.438 1.00 -0.39 O HETATM 1095 N ALA A 58 26.786 21.154 80.958 1.00 -0.26 N HETATM 1096 CA ALA A 58 26.958 21.498 82.361 1.00 0.16 C HETATM 1097 C ALA A 58 26.706 22.987 82.604 1.00 0.21 C HETATM 1098 O ALA A 58 26.844 23.806 81.688 1.00 -0.39 O HETATM 1099 N ALA A 58 26.321 23.326 83.834 1.00 -0.26 N HETATM 1100 CA ALA A 58 26.064 24.718 84.200 1.00 0.13 C HETATM 1101 C ALA A 58 27.314 25.555 83.969 1.00 0.20 C HETATM 1102 O ALA A 58 27.268 26.585 83.286 1.00 -0.39 O HETATM 1103 N ALA A 58 28.435 25.108 84.531 1.00 -0.27 N HETATM 1104 CA ALA A 58 29.703 25.792 84.303 1.00 0.09 C HETATM 1105 C ALA A 58 30.054 25.780 82.816 1.00 0.06 C HETATM 1106 O ALA A 58 30.754 26.669 82.325 1.00 -0.57 O HETATM 1107 O ALA A 58 29.623 24.851 82.082 1.00 -0.57 O HETATM 1108 CB ALA A 58 30.841 25.163 85.122 1.00 -0.01 C HETATM 1109 CG ALA A 58 32.097 26.030 85.132 1.00 -0.02 C HETATM 1110 CD ALA A 58 33.311 25.353 85.769 1.00 0.06 C HETATM 1111 NE ALA A 58 33.314 25.446 87.223 1.00 -0.27 N HETATM 1112 CZ ALA A 58 34.356 25.827 87.956 1.00 0.29 C HETATM 1113 NH1 ALA A 58 35.500 26.179 87.381 1.00 -0.28 N HETATM 1114 H ALA A 58 35.587 26.159 86.365 1.00 0.26 H HETATM 1115 H ALA A 58 36.291 26.469 87.955 1.00 0.26 H HETATM 1116 NH2 ALA A 58 34.248 25.866 89.276 1.00 -0.28 N HETATM 1117 H ALA A 58 33.370 25.605 89.724 1.00 0.26 H HETATM 1118 H ALA A 58 35.043 26.157 89.844 1.00 0.26 H HETATM 1119 H ALA A 58 32.454 25.201 87.714 1.00 0.26 H HETATM 1120 H ALA A 58 34.205 25.857 85.401 1.00 0.07 H HETATM 1121 H ALA A 58 33.281 24.296 85.503 1.00 0.07 H HETATM 1122 H ALA A 58 31.873 26.918 85.723 1.00 0.03 H HETATM 1123 H ALA A 58 32.352 26.244 84.094 1.00 0.03 H HETATM 1124 H ALA A 58 31.095 24.206 84.667 1.00 0.03 H HETATM 1125 H ALA A 58 30.497 25.055 86.151 1.00 0.03 H HETATM 1126 H ALA A 58 29.585 26.824 84.634 1.00 0.07 H HETATM 1127 H ALA A 58 28.407 24.280 85.126 1.00 0.19 H HETATM 1128 CB ALA A 58 25.605 24.822 85.653 1.00 -0.02 C HETATM 1129 H ALA A 58 24.687 24.249 85.785 1.00 0.03 H HETATM 1130 H ALA A 58 26.381 24.424 86.307 1.00 0.03 H HETATM 1131 H ALA A 58 25.421 25.867 85.900 1.00 0.03 H HETATM 1132 H ALA A 58 25.263 25.102 83.568 1.00 0.08 H HETATM 1133 H ALA A 58 26.203 22.597 84.537 1.00 0.19 H HETATM 1134 CB ALA A 58 28.359 21.080 82.876 1.00 0.09 C HETATM 1135 OG1 ALA A 58 28.230 20.377 84.122 1.00 -0.39 O HETATM 1136 H ALA A 58 29.101 20.121 84.435 1.00 0.21 H HETATM 1137 CG2 ALA A 58 29.267 22.299 83.050 1.00 -0.03 C HETATM 1138 H ALA A 58 29.383 22.804 82.091 1.00 0.03 H HETATM 1139 H ALA A 58 28.820 22.984 83.770 1.00 0.03 H HETATM 1140 H ALA A 58 30.243 21.975 83.412 1.00 0.03 H HETATM 1141 H ALA A 58 28.815 20.422 82.136 1.00 0.06 H HETATM 1142 H ALA A 58 26.214 20.938 82.928 1.00 0.08 H HETATM 1143 H ALA A 58 27.291 21.676 80.241 1.00 0.19 H HETATM 1144 CB ALA A 58 24.725 20.678 78.501 1.00 0.00 C HETATM 1145 CG ALA A 58 24.541 22.055 79.119 1.00 0.04 C HETATM 1146 CD ALA A 58 23.210 22.677 78.732 1.00 0.17 C HETATM 1147 OE1 ALA A 58 22.320 22.862 79.573 1.00 -0.40 O HETATM 1148 NE2 ALA A 58 23.059 22.986 77.448 1.00 -0.30 N HETATM 1149 H ALA A 58 22.183 23.393 77.121 1.00 0.18 H HETATM 1150 H ALA A 58 23.819 22.816 76.790 1.00 0.18 H HETATM 1151 H ALA A 58 25.339 22.702 78.755 1.00 0.05 H HETATM 1152 H ALA A 58 24.566 21.949 80.204 1.00 0.05 H HETATM 1153 H ALA A 58 23.799 20.128 78.667 1.00 0.03 H HETATM 1154 H ALA A 58 24.980 20.831 77.452 1.00 0.03 H HETATM 1155 H ALA A 58 26.788 20.102 78.618 1.00 0.08 H HETATM 1156 H ALA A 58 24.993 17.957 79.631 1.00 0.19 H HETATM 1157 CB ALA A 58 24.460 15.934 77.145 1.00 -0.01 C HETATM 1158 CG ALA A 58 24.505 16.483 75.740 1.00 -0.04 C HETATM 1159 CD ALA A 58 23.553 15.727 74.866 1.00 -0.01 C HETATM 1160 CE ALA A 58 24.074 14.334 74.564 1.00 -0.04 C HETATM 1161 NZ ALA A 58 23.094 13.659 73.664 1.00 0.22 N HETATM 1162 H ALA A 58 23.425 12.719 73.447 1.00 0.20 H HETATM 1163 H ALA A 58 22.189 13.603 74.130 1.00 0.20 H HETATM 1164 H ALA A 58 23.001 14.195 72.801 1.00 0.20 H HETATM 1165 H ALA A 58 24.189 13.767 75.488 1.00 0.08 H HETATM 1166 H ALA A 58 25.049 14.394 74.081 1.00 0.08 H HETATM 1167 H ALA A 58 23.439 16.267 73.926 1.00 0.03 H HETATM 1168 H ALA A 58 22.599 15.637 75.386 1.00 0.03 H HETATM 1169 H ALA A 58 25.516 16.378 75.345 1.00 0.03 H HETATM 1170 H ALA A 58 24.220 17.535 75.756 1.00 0.03 H HETATM 1171 H ALA A 58 23.625 16.412 77.658 1.00 0.03 H HETATM 1172 H ALA A 58 24.360 14.851 77.071 1.00 0.03 H HETATM 1173 H ALA A 58 26.544 15.685 77.484 1.00 0.08 H HETATM 1174 H ALA A 58 24.676 15.371 79.626 1.00 0.19 H HETATM 1175 CB ALA A 58 25.418 16.171 82.397 1.00 0.09 C HETATM 1176 OG1 ALA A 58 26.090 17.385 82.767 1.00 -0.39 O HETATM 1177 H ALA A 58 26.352 17.859 81.974 1.00 0.21 H HETATM 1178 CG2 ALA A 58 24.978 15.438 83.664 1.00 -0.03 C HETATM 1179 H ALA A 58 24.450 14.525 83.389 1.00 0.03 H HETATM 1180 H ALA A 58 25.855 15.187 84.260 1.00 0.03 H HETATM 1181 H ALA A 58 24.316 16.082 84.243 1.00 0.03 H HETATM 1182 H ALA A 58 24.542 16.407 81.793 1.00 0.06 H HETATM 1183 H ALA A 58 25.856 14.310 81.501 1.00 0.08 H HETATM 1184 H ALA A 58 28.288 15.886 82.302 1.00 0.19 H HETATM 1185 CB ALA A 58 30.271 13.127 81.763 1.00 -0.01 C HETATM 1186 CG ALA A 58 31.757 13.042 81.934 1.00 -0.02 C HETATM 1187 CD ALA A 58 32.374 12.610 80.616 1.00 0.06 C HETATM 1188 NE ALA A 58 32.055 11.220 80.298 1.00 -0.27 N HETATM 1189 CZ ALA A 58 31.632 10.813 79.109 1.00 0.29 C HETATM 1190 NH1 ALA A 58 31.466 11.695 78.135 1.00 -0.28 N HETATM 1191 H ALA A 58 31.663 12.682 78.302 1.00 0.26 H HETATM 1192 H ALA A 58 31.141 11.387 77.218 1.00 0.26 H HETATM 1193 NH2 ALA A 58 31.365 9.530 78.900 1.00 -0.28 N HETATM 1194 H ALA A 58 31.485 8.854 79.655 1.00 0.26 H HETATM 1195 H ALA A 58 31.040 9.219 77.984 1.00 0.26 H HETATM 1196 H ALA A 58 32.164 10.522 81.034 1.00 0.26 H HETATM 1197 H ALA A 58 33.457 12.703 80.698 1.00 0.07 H HETATM 1198 H ALA A 58 31.972 13.243 79.825 1.00 0.07 H HETATM 1199 H ALA A 58 32.000 12.318 82.712 1.00 0.03 H HETATM 1200 H ALA A 58 32.153 14.014 82.227 1.00 0.03 H HETATM 1201 H ALA A 58 30.087 13.777 80.908 1.00 0.03 H HETATM 1202 H ALA A 58 29.907 12.106 81.647 1.00 0.03 H HETATM 1203 H ALA A 58 29.954 14.699 83.203 1.00 0.08 H HETATM 1204 H ALA A 58 29.965 11.908 83.999 1.00 0.19 H HETATM 1205 CB ALA A 58 28.107 11.480 86.531 1.00 -0.00 C HETATM 1206 H ALA A 58 27.263 12.148 86.705 1.00 0.03 H HETATM 1207 H ALA A 58 27.962 10.947 85.591 1.00 0.03 H HETATM 1208 H ALA A 58 28.180 10.763 87.349 1.00 0.03 H HETATM 1209 H ALA A 58 30.231 11.625 86.256 1.00 0.11 H HETATM 1210 H ALA A 58 30.512 13.513 87.665 1.00 0.20 H HETATM 1211 H ALA A 58 28.871 13.595 87.943 1.00 0.20 H HETATM 1212 H ALA A 58 29.740 12.274 88.468 1.00 0.20 H CONECT 31 30 35 1018 CONECT 80 79 84 1018 CONECT 210 209 214 1018 CONECT 261 260 265 1018 CONECT 282 281 286 1019 CONECT 297 295 296 1021 CONECT 328 327 332 1019 CONECT 507 506 511 1020 CONECT 545 544 549 1020 CONECT 616 615 618 1019 CONECT 671 670 675 1019 CONECT 910 909 914 1020 CONECT 938 936 1021 CONECT 950 949 954 1020 CONECT 1018 31 80 210 261 CONECT 1019 282 328 616 671 CONECT 1020 507 545 910 950 CONECT 1021 297 938 CONECT 1075 1076 1210 1211 1212 CONECT 1076 1075 1077 1205 1209 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1204 CONECT 1080 1079 1081 1185 1203 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1184 CONECT 1084 1083 1085 1175 1183 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1174 CONECT 1088 1087 1089 1157 1173 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1156 CONECT 1092 1091 1093 1144 1155 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1143 CONECT 1096 1095 1097 1134 1142 CONECT 1097 1096 1098 1099 CONECT 1098 1097 CONECT 1099 1097 1100 1133 CONECT 1100 1099 1101 1128 1132 CONECT 1101 1100 1102 1103 CONECT 1102 1101 CONECT 1103 1101 1104 1127 CONECT 1104 1103 1105 1108 1126 CONECT 1105 1104 1106 1107 CONECT 1106 1105 CONECT 1107 1105 CONECT 1108 1104 1109 1124 1125 CONECT 1109 1108 1110 1122 1123 CONECT 1110 1109 1111 1120 1121 CONECT 1111 1110 1112 1119 CONECT 1112 1111 1113 1116 CONECT 1113 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1112 1117 1118 CONECT 1117 1116 CONECT 1118 1116 CONECT 1119 1111 CONECT 1120 1110 CONECT 1121 1110 CONECT 1122 1109 CONECT 1123 1109 CONECT 1124 1108 CONECT 1125 1108 CONECT 1126 1104 CONECT 1127 1103 CONECT 1128 1100 1129 1130 1131 CONECT 1129 1128 CONECT 1130 1128 CONECT 1131 1128 CONECT 1132 1100 CONECT 1133 1099 CONECT 1134 1096 1135 1137 1141 CONECT 1135 1134 1136 CONECT 1136 1135 CONECT 1137 1134 1138 1139 1140 CONECT 1138 1137 CONECT 1139 1137 CONECT 1140 1137 CONECT 1141 1134 CONECT 1142 1096 CONECT 1143 1095 CONECT 1144 1092 1145 1153 1154 CONECT 1145 1144 1146 1151 1152 CONECT 1146 1145 1147 1148 CONECT 1147 1146 CONECT 1148 1146 1149 1150 CONECT 1149 1148 CONECT 1150 1148 CONECT 1151 1145 CONECT 1152 1145 CONECT 1153 1144 CONECT 1154 1144 CONECT 1155 1092 CONECT 1156 1091 CONECT 1157 1088 1158 1171 1172 CONECT 1158 1157 1159 1169 1170 CONECT 1159 1158 1160 1167 1168 CONECT 1160 1159 1161 1165 1166 CONECT 1161 1160 1162 1163 1164 CONECT 1162 1161 CONECT 1163 1161 CONECT 1164 1161 CONECT 1165 1160 CONECT 1166 1160 CONECT 1167 1159 CONECT 1168 1159 CONECT 1169 1158 CONECT 1170 1158 CONECT 1171 1157 CONECT 1172 1157 CONECT 1173 1088 CONECT 1174 1087 CONECT 1175 1084 1176 1178 1182 CONECT 1176 1175 1177 CONECT 1177 1176 CONECT 1178 1175 1179 1180 1181 CONECT 1179 1178 CONECT 1180 1178 CONECT 1181 1178 CONECT 1182 1175 CONECT 1183 1084 CONECT 1184 1083 CONECT 1185 1080 1186 1201 1202 CONECT 1186 1185 1187 1199 1200 CONECT 1187 1186 1188 1197 1198 CONECT 1188 1187 1189 1196 CONECT 1189 1188 1190 1193 CONECT 1190 1189 1191 1192 CONECT 1191 1190 CONECT 1192 1190 CONECT 1193 1189 1194 1195 CONECT 1194 1193 CONECT 1195 1193 CONECT 1196 1188 CONECT 1197 1187 CONECT 1198 1187 CONECT 1199 1186 CONECT 1200 1186 CONECT 1201 1185 CONECT 1202 1185 CONECT 1203 1080 CONECT 1204 1079 CONECT 1205 1076 1206 1207 1208 CONECT 1206 1205 CONECT 1207 1205 CONECT 1208 1205 CONECT 1209 1076 CONECT 1210 1075 CONECT 1211 1075 CONECT 1212 1075 MASTER 0 0 0 0 0 0 0 0 1211 1 156 6 END
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Related entries of code: 3sou
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3sow
RCSB PDB
PDBbind
70aa, >3SOW_1|Chains... at 98%
3t6r
RCSB PDB
PDBbind
72aa, >3T6R_1|Chains... at 91%
3zvy
RCSB PDB
PDBbind
72aa, >3ZVY_1|Chains... at 98%
5xpi
RCSB PDB
PDBbind
157aa, >5XPI_1|Chain... at 95%
6iiw
RCSB PDB
PDBbind
68aa, >6IIW_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
3sou
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase UHRF1
Ligand Name
9-mer
EC.Number
E.C.6.3.2.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=2.1uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Mol.Cell Vol. 43: pp. 275-284
Ligand Properties
Formula
C
3
7
H
7
4
N
1
6
O
1
2
Molecular Weight
935.083
Exact Mass
934.567
No. of atoms
139
No. of bonds
138
Polar Surface Area
511.85
LOGP Value
-4.71 (
Computed with XLOGP3
)
-6.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 40
No. of Nitrogen and Oxygen Atoms: 28
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)O)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/C37H70N16O12/c1-17(39)28(57)48-22(10-7-15-45-36(41)42)31(60)53-27(20(4)55)34(63)50-21(9-5-6-14-38)30(59)49-23(12-13-25(40)56)32(61)52-26(19(3)54)33(62)47-18(2)29(58)51-24(35(64)65)11-8-16-46-37(43)44/h17-24,26-27,54-55H,5-16,38-39H2,1-4H3,(H2,40,56)(H,47,62)(H,48,57)(H,49,59)(H,50,63)(H,51,58)(H,52,61)(H,53,60)(H,64,65)(H4,41,42,45)(H4,43,44,46)/p+4/t17-,18-,19+,20+,21-,22-,23-,24-,26-,27-/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
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
29128
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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