Browse entries in the PDBbind-CN Database
HEADER 3SOW_COMPLEX COMPND 3SOW_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 67 PRO SER CYS LYS HIS CYS LYS ASP ASP VAL ASN ARG LEU SEQRES 2 A 67 CYS ARG VAL CYS ALA CYS HIS LEU CYS GLY GLY ARG GLN SEQRES 3 A 67 ASP PRO ASP LYS GLN LEU MET CYS ASP GLU CYS ASP MET SEQRES 4 A 67 ALA PHE HIS ILE TYR CYS LEU ASP PRO PRO LEU SER SER SEQRES 5 A 67 VAL PRO SER GLU ASP GLU TRP TYR CYS PRO GLU CYS ARG SEQRES 6 A 67 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 98 113 ATOM 1 N PRO A 313 -16.192 17.605 34.087 1.00 48.55 N ATOM 2 CA PRO A 313 -15.910 18.131 32.746 1.00 45.25 C ATOM 3 C PRO A 313 -15.247 17.090 31.857 1.00 43.49 C ATOM 4 O PRO A 313 -14.261 16.471 32.256 1.00 47.90 O ATOM 5 CB PRO A 313 -14.919 19.273 33.011 1.00 41.24 C ATOM 6 CG PRO A 313 -15.133 19.646 34.427 1.00 46.59 C ATOM 7 CD PRO A 313 -15.525 18.388 35.140 1.00 50.64 C ATOM 8 HA PRO A 313 -16.821 18.437 32.232 1.00 0.00 H ATOM 9 HD3 PRO A 313 -14.649 17.865 35.522 1.00 0.00 H ATOM 10 HD2 PRO A 313 -16.208 18.600 35.963 1.00 0.00 H ATOM 11 HG3 PRO A 313 -15.928 20.388 34.506 1.00 0.00 H ATOM 12 HG2 PRO A 313 -14.215 20.051 34.853 1.00 0.00 H ATOM 13 HB2 PRO A 313 -13.894 18.936 32.854 1.00 0.00 H ATOM 14 HB3 PRO A 313 -15.126 20.120 32.356 1.00 0.00 H ATOM 15 N SER A 314 -15.778 16.909 30.656 1.00 43.64 N ATOM 16 CA SER A 314 -15.149 16.033 29.685 1.00 43.52 C ATOM 17 C SER A 314 -13.742 16.549 29.356 1.00 41.60 C ATOM 18 O SER A 314 -12.807 15.760 29.169 1.00 41.37 O ATOM 19 CB SER A 314 -16.009 15.932 28.427 1.00 42.22 C ATOM 20 OG SER A 314 -15.403 15.098 27.460 1.00 51.95 O ATOM 21 HA SER A 314 -15.058 15.032 30.108 1.00 0.00 H ATOM 22 HB2 SER A 314 -16.141 16.928 28.005 1.00 0.00 H ATOM 23 HB3 SER A 314 -16.982 15.520 28.693 1.00 0.00 H ATOM 24 HG SER A 314 -15.981 15.051 26.658 1.00 0.00 H ATOM 25 H SER A 314 -16.659 17.402 30.406 1.00 0.00 H ATOM 26 N CYS A 315 -13.592 17.872 29.299 1.00 37.56 N ATOM 27 CA CYS A 315 -12.282 18.472 29.043 1.00 33.72 C ATOM 28 C CYS A 315 -11.732 19.195 30.274 1.00 28.40 C ATOM 29 O CYS A 315 -12.315 20.174 30.752 1.00 29.80 O ATOM 30 CB CYS A 315 -12.317 19.428 27.842 1.00 27.92 C ATOM 31 SG CYS A 315 -10.668 20.105 27.459 1.00 26.85 S ATOM 32 HA CYS A 315 -11.610 17.647 28.805 1.00 0.00 H ATOM 33 HB2 CYS A 315 -12.993 20.253 28.068 1.00 0.00 H ATOM 34 HB3 CYS A 315 -12.686 18.886 26.971 1.00 0.00 H ATOM 35 HG CYS A 315 -10.761 20.954 26.375 1.00 0.00 H ATOM 36 H CYS A 315 -14.419 18.487 29.439 1.00 0.00 H ATOM 37 N LYS A 316 -10.592 18.723 30.765 1.00 27.51 N ATOM 38 CA LYS A 316 -9.972 19.297 31.961 1.00 29.44 C ATOM 39 C LYS A 316 -9.339 20.664 31.689 1.00 28.98 C ATOM 40 O LYS A 316 -9.098 21.441 32.610 1.00 25.37 O ATOM 41 CB LYS A 316 -8.912 18.340 32.505 1.00 31.86 C ATOM 42 CG LYS A 316 -7.576 18.433 31.777 1.00 32.53 C ATOM 43 CD LYS A 316 -6.969 17.068 31.587 1.00 36.25 C ATOM 44 CE LYS A 316 -5.569 16.986 32.185 1.00 40.23 C ATOM 45 NZ LYS A 316 -4.844 15.789 31.644 1.00 41.89 N ATOM 46 HA LYS A 316 -10.762 19.442 32.698 1.00 0.00 H ATOM 47 HB2 LYS A 316 -8.748 18.569 33.558 1.00 0.00 H ATOM 48 HB3 LYS A 316 -9.286 17.321 32.410 1.00 0.00 H ATOM 49 HG2 LYS A 316 -7.733 18.893 30.801 1.00 0.00 H ATOM 50 HG3 LYS A 316 -6.893 19.049 32.362 1.00 0.00 H ATOM 51 HD2 LYS A 316 -7.605 16.328 32.072 1.00 0.00 H ATOM 52 HD3 LYS A 316 -6.911 16.852 30.520 1.00 0.00 H ATOM 53 HE2 LYS A 316 -5.645 16.902 33.269 1.00 0.00 H ATOM 54 HE3 LYS A 316 -5.015 17.889 31.930 1.00 0.00 H ATOM 55 HZ1 LYS A 316 -5.371 14.926 31.889 1.00 0.00 H ATOM 56 HZ2 LYS A 316 -4.769 15.869 30.610 1.00 0.00 H ATOM 57 HZ3 LYS A 316 -3.892 15.745 32.060 1.00 0.00 H ATOM 58 H LYS A 316 -10.127 17.925 30.287 1.00 0.00 H ATOM 59 N HIS A 317 -9.079 20.963 30.418 1.00 26.25 N ATOM 60 CA HIS A 317 -8.390 22.197 30.070 1.00 26.23 C ATOM 61 C HIS A 317 -9.316 23.416 30.154 1.00 26.51 C ATOM 62 O HIS A 317 -8.967 24.423 30.776 1.00 28.26 O ATOM 63 CB HIS A 317 -7.688 22.084 28.698 1.00 23.87 C ATOM 64 CG HIS A 317 -6.681 20.973 28.631 1.00 27.45 C ATOM 65 ND1 HIS A 317 -5.370 21.120 29.038 1.00 25.82 N ATOM 66 CD2 HIS A 317 -6.800 19.686 28.222 1.00 29.79 C ATOM 67 CE1 HIS A 317 -4.726 19.979 28.876 1.00 27.05 C ATOM 68 NE2 HIS A 317 -5.572 19.093 28.382 1.00 28.15 N ATOM 69 HA HIS A 317 -7.609 22.355 30.814 1.00 0.00 H ATOM 70 HB2 HIS A 317 -8.447 21.909 27.935 1.00 0.00 H ATOM 71 HB3 HIS A 317 -7.178 23.025 28.492 1.00 0.00 H ATOM 72 HD2 HIS A 317 -7.702 19.211 27.838 1.00 0.00 H ATOM 73 HE1 HIS A 317 -3.677 19.799 29.110 1.00 0.00 H ATOM 74 H HIS A 317 -9.371 20.308 29.665 1.00 0.00 H ATOM 75 N CYS A 318 -10.505 23.310 29.574 1.00 23.56 N ATOM 76 CA CYS A 318 -11.446 24.426 29.550 1.00 25.32 C ATOM 77 C CYS A 318 -12.679 24.203 30.435 1.00 25.82 C ATOM 78 O CYS A 318 -13.526 25.087 30.548 1.00 22.74 O ATOM 79 CB CYS A 318 -11.927 24.666 28.116 1.00 24.66 C ATOM 80 SG CYS A 318 -12.974 23.337 27.508 1.00 24.38 S ATOM 81 HA CYS A 318 -10.905 25.287 29.942 1.00 0.00 H ATOM 82 HB2 CYS A 318 -11.057 24.751 27.465 1.00 0.00 H ATOM 83 HB3 CYS A 318 -12.493 25.597 28.088 1.00 0.00 H ATOM 84 HG CYS A 318 -12.267 22.152 27.527 1.00 0.00 H ATOM 85 H CYS A 318 -10.773 22.411 29.126 1.00 0.00 H ATOM 86 N LYS A 319 -12.786 23.014 31.021 1.00 26.33 N ATOM 87 CA LYS A 319 -13.917 22.657 31.883 1.00 29.36 C ATOM 88 C LYS A 319 -15.272 22.780 31.162 1.00 31.96 C ATOM 89 O LYS A 319 -16.310 23.018 31.783 1.00 32.63 O ATOM 90 CB LYS A 319 -13.871 23.467 33.181 1.00 29.73 C ATOM 91 CG LYS A 319 -12.528 23.330 33.911 1.00 33.65 C ATOM 92 CD LYS A 319 -12.507 24.066 35.257 1.00 45.22 C ATOM 93 CE LYS A 319 -11.074 24.221 35.812 1.00 46.87 C ATOM 94 NZ LYS A 319 -10.515 22.981 36.457 1.00 50.56 N ATOM 95 HA LYS A 319 -13.820 21.602 32.141 1.00 0.00 H ATOM 96 HB2 LYS A 319 -14.035 24.518 32.944 1.00 0.00 H ATOM 97 HB3 LYS A 319 -14.665 23.117 33.840 1.00 0.00 H ATOM 98 HG2 LYS A 319 -12.334 22.272 34.089 1.00 0.00 H ATOM 99 HG3 LYS A 319 -11.743 23.741 33.277 1.00 0.00 H ATOM 100 HD2 LYS A 319 -12.941 25.057 35.123 1.00 0.00 H ATOM 101 HD3 LYS A 319 -13.103 23.503 35.975 1.00 0.00 H ATOM 102 HE2 LYS A 319 -11.081 25.018 36.556 1.00 0.00 H ATOM 103 HE3 LYS A 319 -10.418 24.501 34.988 1.00 0.00 H ATOM 104 HZ1 LYS A 319 -11.120 22.704 37.256 1.00 0.00 H ATOM 105 HZ2 LYS A 319 -10.487 22.211 35.759 1.00 0.00 H ATOM 106 HZ3 LYS A 319 -9.553 23.174 36.800 1.00 0.00 H ATOM 107 H LYS A 319 -12.038 22.309 30.862 1.00 0.00 H ATOM 108 N ASP A 320 -15.247 22.601 29.845 1.00 28.82 N ATOM 109 CA ASP A 320 -16.465 22.619 29.031 1.00 33.43 C ATOM 110 C ASP A 320 -17.177 23.976 28.995 1.00 33.55 C ATOM 111 O ASP A 320 -18.364 24.051 28.668 1.00 36.94 O ATOM 112 CB ASP A 320 -17.437 21.529 29.500 1.00 34.89 C ATOM 113 CG ASP A 320 -16.915 20.121 29.244 1.00 38.67 C ATOM 114 OD1 ASP A 320 -15.825 19.964 28.656 1.00 37.74 O ATOM 115 OD2 ASP A 320 -17.603 19.156 29.631 1.00 42.03 O ATOM 116 HA ASP A 320 -16.140 22.421 28.010 1.00 0.00 H ATOM 117 HB2 ASP A 320 -17.605 21.649 30.570 1.00 0.00 H ATOM 118 HB3 ASP A 320 -18.381 21.652 28.969 1.00 0.00 H ATOM 119 H ASP A 320 -14.332 22.443 29.377 1.00 0.00 H ATOM 120 N ASP A 321 -16.459 25.038 29.349 1.00 29.02 N ATOM 121 CA ASP A 321 -16.981 26.394 29.267 1.00 26.23 C ATOM 122 C ASP A 321 -17.079 26.833 27.793 1.00 32.18 C ATOM 123 O ASP A 321 -16.063 26.954 27.092 1.00 27.53 O ATOM 124 CB ASP A 321 -16.058 27.341 30.035 1.00 29.85 C ATOM 125 CG ASP A 321 -16.621 28.742 30.155 1.00 28.44 C ATOM 126 OD1 ASP A 321 -17.559 29.085 29.410 1.00 30.18 O ATOM 127 OD2 ASP A 321 -16.120 29.504 31.009 1.00 33.25 O ATOM 128 HA ASP A 321 -17.977 26.425 29.708 1.00 0.00 H ATOM 129 HB2 ASP A 321 -15.904 26.941 31.037 1.00 0.00 H ATOM 130 HB3 ASP A 321 -15.102 27.393 29.515 1.00 0.00 H ATOM 131 H ASP A 321 -15.490 24.894 29.697 1.00 0.00 H ATOM 132 N VAL A 322 -18.311 27.072 27.347 1.00 28.22 N ATOM 133 CA VAL A 322 -18.607 27.375 25.959 1.00 30.52 C ATOM 134 C VAL A 322 -18.059 28.741 25.564 1.00 28.57 C ATOM 135 O VAL A 322 -17.806 29.001 24.393 1.00 31.48 O ATOM 136 CB VAL A 322 -20.134 27.328 25.705 1.00 32.87 C ATOM 137 CG1 VAL A 322 -20.811 28.539 26.327 1.00 32.39 C ATOM 138 CG2 VAL A 322 -20.420 27.271 24.217 1.00 34.95 C ATOM 139 HA VAL A 322 -18.120 26.618 25.345 1.00 0.00 H ATOM 140 HB VAL A 322 -20.536 26.428 26.171 1.00 0.00 H ATOM 141 HG11 VAL A 322 -20.629 28.543 27.402 1.00 0.00 H ATOM 142 HG12 VAL A 322 -20.404 29.448 25.884 1.00 0.00 H ATOM 143 HG13 VAL A 322 -21.884 28.490 26.139 1.00 0.00 H ATOM 144 HG21 VAL A 322 -20.006 28.156 23.735 1.00 0.00 H ATOM 145 HG22 VAL A 322 -19.961 26.377 23.794 1.00 0.00 H ATOM 146 HG23 VAL A 322 -21.498 27.238 24.056 1.00 0.00 H ATOM 147 H VAL A 322 -19.098 27.040 28.026 1.00 0.00 H ATOM 148 N ASN A 323 -17.859 29.608 26.545 1.00 26.72 N ATOM 149 CA ASN A 323 -17.328 30.935 26.278 1.00 32.38 C ATOM 150 C ASN A 323 -15.810 31.024 26.357 1.00 28.96 C ATOM 151 O ASN A 323 -15.253 32.114 26.281 1.00 27.97 O ATOM 152 CB ASN A 323 -17.956 31.958 27.217 1.00 30.87 C ATOM 153 CG ASN A 323 -19.396 32.220 26.881 1.00 38.86 C ATOM 154 OD1 ASN A 323 -20.246 32.316 27.767 1.00 40.88 O ATOM 155 ND2 ASN A 323 -19.693 32.300 25.579 1.00 35.40 N ATOM 156 HA ASN A 323 -17.595 31.157 25.245 1.00 0.00 H ATOM 157 HB2 ASN A 323 -17.895 31.582 28.238 1.00 0.00 H ATOM 158 HB3 ASN A 323 -17.401 32.893 27.141 1.00 0.00 H ATOM 159 HD22 ASN A 323 -18.940 32.213 24.867 1.00 0.00 H ATOM 160 HD21 ASN A 323 -20.677 32.449 25.278 1.00 0.00 H ATOM 161 H ASN A 323 -18.086 29.335 27.523 1.00 0.00 H ATOM 162 N ARG A 324 -15.164 29.873 26.525 1.00 27.30 N ATOM 163 CA ARG A 324 -13.710 29.796 26.655 1.00 28.80 C ATOM 164 C ARG A 324 -13.150 29.160 25.395 1.00 25.97 C ATOM 165 O ARG A 324 -13.727 28.207 24.883 1.00 25.93 O ATOM 166 CB ARG A 324 -13.339 28.900 27.840 1.00 30.61 C ATOM 167 CG ARG A 324 -12.488 29.545 28.910 1.00 36.98 C ATOM 168 CD ARG A 324 -11.212 28.736 29.147 1.00 37.98 C ATOM 169 NE ARG A 324 -10.150 29.140 28.223 1.00 40.11 N ATOM 170 CZ ARG A 324 -9.184 28.343 27.769 1.00 35.52 C ATOM 171 NH1 ARG A 324 -8.263 28.829 26.943 1.00 42.67 N ATOM 172 NH2 ARG A 324 -9.138 27.061 28.119 1.00 34.05 N ATOM 173 HA ARG A 324 -13.306 30.797 26.807 1.00 0.00 H ATOM 174 HB2 ARG A 324 -14.264 28.562 28.307 1.00 0.00 H ATOM 175 HB3 ARG A 324 -12.794 28.040 27.452 1.00 0.00 H ATOM 176 HG2 ARG A 324 -12.219 30.553 28.594 1.00 0.00 H ATOM 177 HG3 ARG A 324 -13.057 29.596 29.838 1.00 0.00 H ATOM 178 HD2 ARG A 324 -11.429 27.678 28.999 1.00 0.00 H ATOM 179 HD3 ARG A 324 -10.874 28.897 30.171 1.00 0.00 H ATOM 180 HE ARG A 324 -10.150 30.127 27.895 1.00 0.00 H ATOM 181 HH12 ARG A 324 -7.507 28.211 26.586 1.00 0.00 H ATOM 182 HH11 ARG A 324 -8.299 29.827 26.654 1.00 0.00 H ATOM 183 HH22 ARG A 324 -8.378 26.450 27.757 1.00 0.00 H ATOM 184 HH21 ARG A 324 -9.862 26.669 28.755 1.00 0.00 H ATOM 185 H ARG A 324 -15.716 28.992 26.565 1.00 0.00 H ATOM 186 N LEU A 325 -12.027 29.676 24.906 1.00 26.73 N ATOM 187 CA LEU A 325 -11.313 29.033 23.804 1.00 26.29 C ATOM 188 C LEU A 325 -10.712 27.759 24.340 1.00 27.58 C ATOM 189 O LEU A 325 -10.306 27.716 25.497 1.00 28.76 O ATOM 190 CB LEU A 325 -10.163 29.912 23.312 1.00 26.19 C ATOM 191 CG LEU A 325 -10.525 31.233 22.655 1.00 28.23 C ATOM 192 CD1 LEU A 325 -9.265 31.879 22.073 1.00 27.05 C ATOM 193 CD2 LEU A 325 -11.563 30.948 21.597 1.00 28.12 C ATOM 194 HA LEU A 325 -12.005 28.856 22.981 1.00 0.00 H ATOM 195 HB2 LEU A 325 -9.531 30.136 24.172 1.00 0.00 H ATOM 196 HB3 LEU A 325 -9.594 29.331 22.586 1.00 0.00 H ATOM 197 HG LEU A 325 -10.939 31.939 23.375 1.00 0.00 H ATOM 198 HD21 LEU A 325 -11.150 30.258 20.861 1.00 0.00 H ATOM 199 HD22 LEU A 325 -12.442 30.502 22.063 1.00 0.00 H ATOM 200 HD23 LEU A 325 -11.844 31.879 21.106 1.00 0.00 H ATOM 201 HD11 LEU A 325 -8.546 32.057 22.873 1.00 0.00 H ATOM 202 HD12 LEU A 325 -8.826 31.212 21.330 1.00 0.00 H ATOM 203 HD13 LEU A 325 -9.528 32.826 21.602 1.00 0.00 H ATOM 204 H LEU A 325 -11.649 30.554 25.315 1.00 0.00 H ATOM 205 N CYS A 326 -10.641 26.722 23.521 1.00 21.25 N ATOM 206 CA CYS A 326 -9.871 25.555 23.913 1.00 22.14 C ATOM 207 C CYS A 326 -9.258 24.838 22.722 1.00 21.37 C ATOM 208 O CYS A 326 -9.974 24.277 21.882 1.00 21.25 O ATOM 209 CB CYS A 326 -10.695 24.577 24.748 1.00 24.15 C ATOM 210 SG CYS A 326 -9.661 23.196 25.350 1.00 22.01 S ATOM 211 HA CYS A 326 -9.057 25.932 24.532 1.00 0.00 H ATOM 212 HB2 CYS A 326 -11.503 24.177 24.135 1.00 0.00 H ATOM 213 HB3 CYS A 326 -11.117 25.105 25.603 1.00 0.00 H ATOM 214 HG CYS A 326 -10.437 22.335 26.099 1.00 0.00 H ATOM 215 H CYS A 326 -11.132 26.743 22.605 1.00 0.00 H ATOM 216 N ARG A 327 -7.931 24.850 22.654 1.00 18.78 N ATOM 217 CA ARG A 327 -7.239 24.237 21.525 1.00 22.29 C ATOM 218 C ARG A 327 -7.063 22.727 21.699 1.00 22.56 C ATOM 219 O ARG A 327 -6.437 22.071 20.879 1.00 20.66 O ATOM 220 CB ARG A 327 -5.905 24.938 21.264 1.00 22.05 C ATOM 221 CG ARG A 327 -6.085 26.376 20.803 1.00 21.27 C ATOM 222 CD ARG A 327 -4.747 27.065 20.577 1.00 22.87 C ATOM 223 NE ARG A 327 -4.960 28.383 19.991 1.00 27.72 N ATOM 224 CZ ARG A 327 -5.285 29.464 20.690 1.00 31.94 C ATOM 225 NH1 ARG A 327 -5.413 29.385 22.010 1.00 30.56 N ATOM 226 NH2 ARG A 327 -5.463 30.628 20.071 1.00 33.37 N ATOM 227 HA ARG A 327 -7.869 24.370 20.645 1.00 0.00 H ATOM 228 HB2 ARG A 327 -5.322 24.936 22.185 1.00 0.00 H ATOM 229 HB3 ARG A 327 -5.365 24.388 20.493 1.00 0.00 H ATOM 230 HG2 ARG A 327 -6.647 26.380 19.869 1.00 0.00 H ATOM 231 HG3 ARG A 327 -6.641 26.924 21.563 1.00 0.00 H ATOM 232 HD2 ARG A 327 -4.140 26.463 19.901 1.00 0.00 H ATOM 233 HD3 ARG A 327 -4.230 27.172 21.530 1.00 0.00 H ATOM 234 HE ARG A 327 -4.851 28.483 18.962 1.00 0.00 H ATOM 235 HH12 ARG A 327 -5.668 30.231 22.559 1.00 0.00 H ATOM 236 HH11 ARG A 327 -5.259 28.478 22.494 1.00 0.00 H ATOM 237 HH22 ARG A 327 -5.718 31.475 20.619 1.00 0.00 H ATOM 238 HH21 ARG A 327 -5.348 30.691 19.039 1.00 0.00 H ATOM 239 H ARG A 327 -7.380 25.301 23.413 1.00 0.00 H ATOM 240 N VAL A 328 -7.637 22.180 22.773 1.00 23.81 N ATOM 241 CA VAL A 328 -7.575 20.743 23.020 1.00 22.09 C ATOM 242 C VAL A 328 -8.835 20.025 22.533 1.00 22.94 C ATOM 243 O VAL A 328 -8.751 19.060 21.781 1.00 26.54 O ATOM 244 CB VAL A 328 -7.332 20.443 24.523 1.00 23.50 C ATOM 245 CG1 VAL A 328 -7.653 19.003 24.840 1.00 26.45 C ATOM 246 CG2 VAL A 328 -5.879 20.756 24.872 1.00 28.38 C ATOM 247 HA VAL A 328 -6.730 20.360 22.447 1.00 0.00 H ATOM 248 HB VAL A 328 -7.991 21.072 25.122 1.00 0.00 H ATOM 249 HG11 VAL A 328 -8.699 18.805 24.606 1.00 0.00 H ATOM 250 HG12 VAL A 328 -7.016 18.350 24.243 1.00 0.00 H ATOM 251 HG13 VAL A 328 -7.475 18.817 25.899 1.00 0.00 H ATOM 252 HG21 VAL A 328 -5.219 20.137 24.264 1.00 0.00 H ATOM 253 HG22 VAL A 328 -5.677 21.808 24.672 1.00 0.00 H ATOM 254 HG23 VAL A 328 -5.707 20.546 25.928 1.00 0.00 H ATOM 255 H VAL A 328 -8.139 22.791 23.448 1.00 0.00 H ATOM 256 N CYS A 329 -9.999 20.512 22.946 1.00 20.51 N ATOM 257 CA CYS A 329 -11.261 19.873 22.595 1.00 23.73 C ATOM 258 C CYS A 329 -12.039 20.610 21.476 1.00 25.19 C ATOM 259 O CYS A 329 -13.046 20.117 20.982 1.00 26.10 O ATOM 260 CB CYS A 329 -12.132 19.676 23.849 1.00 23.02 C ATOM 261 SG CYS A 329 -12.866 21.181 24.534 1.00 27.52 S ATOM 262 HA CYS A 329 -11.010 18.896 22.181 1.00 0.00 H ATOM 263 HB2 CYS A 329 -11.511 19.224 24.622 1.00 0.00 H ATOM 264 HB3 CYS A 329 -12.943 18.994 23.591 1.00 0.00 H ATOM 265 HG CYS A 329 -11.863 22.059 24.891 1.00 0.00 H ATOM 266 H CYS A 329 -10.011 21.370 23.534 1.00 0.00 H ATOM 267 N ALA A 330 -11.575 21.792 21.088 1.00 22.79 N ATOM 268 CA ALA A 330 -12.156 22.489 19.936 1.00 21.57 C ATOM 269 C ALA A 330 -11.055 22.728 18.903 1.00 20.17 C ATOM 270 O ALA A 330 -10.064 22.014 18.902 1.00 20.87 O ATOM 271 CB ALA A 330 -12.826 23.796 20.359 1.00 21.23 C ATOM 272 HA ALA A 330 -12.937 21.872 19.491 1.00 0.00 H ATOM 273 HB1 ALA A 330 -13.621 23.581 21.073 1.00 0.00 H ATOM 274 HB2 ALA A 330 -12.086 24.448 20.823 1.00 0.00 H ATOM 275 HB3 ALA A 330 -13.246 24.288 19.482 1.00 0.00 H ATOM 276 H ALA A 330 -10.788 22.230 21.609 1.00 0.00 H ATOM 277 N CYS A 331 -11.200 23.729 18.040 1.00 18.68 N ATOM 278 CA CYS A 331 -10.212 23.909 16.962 1.00 18.89 C ATOM 279 C CYS A 331 -8.800 24.077 17.533 1.00 20.06 C ATOM 280 O CYS A 331 -8.547 24.971 18.350 1.00 18.00 O ATOM 281 CB CYS A 331 -10.549 25.107 16.071 1.00 18.45 C ATOM 282 SG CYS A 331 -9.303 25.376 14.749 1.00 18.68 S ATOM 283 HA CYS A 331 -10.248 23.007 16.351 1.00 0.00 H ATOM 284 HB2 CYS A 331 -10.598 26.001 16.692 1.00 0.00 H ATOM 285 HB3 CYS A 331 -11.520 24.935 15.606 1.00 0.00 H ATOM 286 HG CYS A 331 -9.670 26.467 13.988 1.00 0.00 H ATOM 287 H CYS A 331 -12.006 24.381 18.125 1.00 0.00 H ATOM 288 N HIS A 332 -7.885 23.226 17.093 1.00 19.17 N ATOM 289 CA HIS A 332 -6.535 23.217 17.642 1.00 21.61 C ATOM 290 C HIS A 332 -5.739 24.476 17.254 1.00 20.85 C ATOM 291 O HIS A 332 -4.754 24.815 17.893 1.00 19.52 O ATOM 292 CB HIS A 332 -5.811 21.918 17.244 1.00 21.00 C ATOM 293 CG HIS A 332 -4.460 21.760 17.863 1.00 23.80 C ATOM 294 ND1 HIS A 332 -4.274 21.644 19.229 1.00 25.37 N ATOM 295 CD2 HIS A 332 -3.228 21.693 17.308 1.00 21.82 C ATOM 296 CE1 HIS A 332 -2.984 21.513 19.484 1.00 24.21 C ATOM 297 NE2 HIS A 332 -2.328 21.548 18.337 1.00 26.37 N ATOM 298 HA HIS A 332 -6.610 23.241 18.729 1.00 0.00 H ATOM 299 HB2 HIS A 332 -6.429 21.074 17.549 1.00 0.00 H ATOM 300 HB3 HIS A 332 -5.695 21.908 16.160 1.00 0.00 H ATOM 301 HD2 HIS A 332 -2.993 21.744 16.245 1.00 0.00 H ATOM 302 HE1 HIS A 332 -2.537 21.396 20.471 1.00 0.00 H ATOM 303 H HIS A 332 -8.135 22.552 16.342 1.00 0.00 H ATOM 304 N LEU A 333 -6.190 25.179 16.217 1.00 20.28 N ATOM 305 CA LEU A 333 -5.528 26.401 15.765 1.00 20.86 C ATOM 306 C LEU A 333 -6.104 27.654 16.425 1.00 22.66 C ATOM 307 O LEU A 333 -5.352 28.520 16.872 1.00 21.16 O ATOM 308 CB LEU A 333 -5.602 26.538 14.235 1.00 20.04 C ATOM 309 CG LEU A 333 -4.940 25.389 13.467 1.00 24.68 C ATOM 310 CD1 LEU A 333 -5.148 25.510 11.912 1.00 20.74 C ATOM 311 CD2 LEU A 333 -3.455 25.309 13.817 1.00 27.41 C ATOM 312 HA LEU A 333 -4.484 26.315 16.067 1.00 0.00 H ATOM 313 HB2 LEU A 333 -6.652 26.582 13.946 1.00 0.00 H ATOM 314 HB3 LEU A 333 -5.109 27.468 13.951 1.00 0.00 H ATOM 315 HG LEU A 333 -5.427 24.464 13.775 1.00 0.00 H ATOM 316 HD21 LEU A 333 -2.969 26.247 13.548 1.00 0.00 H ATOM 317 HD22 LEU A 333 -3.344 25.135 14.887 1.00 0.00 H ATOM 318 HD23 LEU A 333 -2.997 24.489 13.265 1.00 0.00 H ATOM 319 HD11 LEU A 333 -6.214 25.496 11.687 1.00 0.00 H ATOM 320 HD12 LEU A 333 -4.713 26.446 11.560 1.00 0.00 H ATOM 321 HD13 LEU A 333 -4.660 24.672 11.415 1.00 0.00 H ATOM 322 H LEU A 333 -7.038 24.849 15.714 1.00 0.00 H ATOM 323 N CYS A 334 -7.430 27.754 16.497 1.00 19.15 N ATOM 324 CA CYS A 334 -8.033 28.970 17.065 1.00 23.10 C ATOM 325 C CYS A 334 -8.772 28.766 18.407 1.00 20.40 C ATOM 326 O CYS A 334 -9.181 29.730 19.064 1.00 20.07 O ATOM 327 CB CYS A 334 -8.966 29.625 16.050 1.00 19.49 C ATOM 328 SG CYS A 334 -10.571 28.823 15.918 1.00 19.36 S ATOM 329 HA CYS A 334 -7.192 29.625 17.291 1.00 0.00 H ATOM 330 HB2 CYS A 334 -8.485 29.596 15.072 1.00 0.00 H ATOM 331 HB3 CYS A 334 -9.123 30.662 16.346 1.00 0.00 H ATOM 332 HG CYS A 334 -10.397 27.510 15.529 1.00 0.00 H ATOM 333 H CYS A 334 -8.034 26.980 16.155 1.00 0.00 H ATOM 334 N GLY A 335 -8.967 27.519 18.807 1.00 17.64 N ATOM 335 CA GLY A 335 -9.674 27.259 20.049 1.00 19.57 C ATOM 336 C GLY A 335 -11.191 27.390 19.982 1.00 21.11 C ATOM 337 O GLY A 335 -11.873 27.159 20.994 1.00 21.01 O ATOM 338 HA3 GLY A 335 -9.309 27.963 20.797 1.00 0.00 H ATOM 339 HA2 GLY A 335 -9.438 26.242 20.363 1.00 0.00 H ATOM 340 H GLY A 335 -8.614 26.727 18.233 1.00 0.00 H ATOM 341 N GLY A 336 -11.719 27.765 18.814 1.00 19.50 N ATOM 342 CA GLY A 336 -13.156 27.958 18.622 1.00 18.80 C ATOM 343 C GLY A 336 -13.971 26.691 18.393 1.00 20.97 C ATOM 344 O GLY A 336 -13.491 25.728 17.784 1.00 18.77 O ATOM 345 HA3 GLY A 336 -13.294 28.606 17.756 1.00 0.00 H ATOM 346 HA2 GLY A 336 -13.549 28.453 19.510 1.00 0.00 H ATOM 347 H GLY A 336 -11.082 27.926 18.008 1.00 0.00 H ATOM 348 N ARG A 337 -15.222 26.707 18.860 1.00 20.73 N ATOM 349 CA ARG A 337 -16.119 25.544 18.816 1.00 22.17 C ATOM 350 C ARG A 337 -17.153 25.545 17.689 1.00 22.10 C ATOM 351 O ARG A 337 -17.825 24.542 17.466 1.00 22.47 O ATOM 352 CB ARG A 337 -16.886 25.443 20.143 1.00 24.43 C ATOM 353 CG ARG A 337 -15.990 25.445 21.369 1.00 22.75 C ATOM 354 CD ARG A 337 -16.801 25.480 22.661 1.00 26.26 C ATOM 355 NE ARG A 337 -15.914 25.780 23.777 1.00 26.79 N ATOM 356 CZ ARG A 337 -15.233 24.865 24.450 1.00 24.79 C ATOM 357 NH1 ARG A 337 -15.355 23.590 24.136 1.00 27.76 N ATOM 358 NH2 ARG A 337 -14.431 25.227 25.436 1.00 28.03 N ATOM 359 HA ARG A 337 -15.459 24.696 18.633 1.00 0.00 H ATOM 360 HB2 ARG A 337 -17.567 26.292 20.213 1.00 0.00 H ATOM 361 HB3 ARG A 337 -17.461 24.517 20.139 1.00 0.00 H ATOM 362 HG2 ARG A 337 -15.377 24.544 21.361 1.00 0.00 H ATOM 363 HG3 ARG A 337 -15.344 26.322 21.333 1.00 0.00 H ATOM 364 HD2 ARG A 337 -17.274 24.511 22.821 1.00 0.00 H ATOM 365 HD3 ARG A 337 -17.569 26.250 22.589 1.00 0.00 H ATOM 366 HE ARG A 337 -15.809 26.774 24.063 1.00 0.00 H ATOM 367 HH12 ARG A 337 -14.821 22.871 24.664 1.00 0.00 H ATOM 368 HH11 ARG A 337 -15.986 23.304 23.360 1.00 0.00 H ATOM 369 HH22 ARG A 337 -13.897 24.507 25.963 1.00 0.00 H ATOM 370 HH21 ARG A 337 -14.334 26.232 25.685 1.00 0.00 H ATOM 371 H ARG A 337 -15.581 27.590 19.277 1.00 0.00 H ATOM 372 N GLN A 338 -17.309 26.686 17.023 1.00 21.34 N ATOM 373 CA GLN A 338 -18.296 26.862 15.966 1.00 24.59 C ATOM 374 C GLN A 338 -17.999 25.991 14.732 1.00 24.23 C ATOM 375 O GLN A 338 -16.857 25.597 14.497 1.00 21.88 O ATOM 376 CB GLN A 338 -18.398 28.361 15.594 1.00 23.01 C ATOM 377 CG GLN A 338 -17.335 28.895 14.576 1.00 25.36 C ATOM 378 CD GLN A 338 -15.956 29.295 15.174 1.00 25.79 C ATOM 379 OE1 GLN A 338 -15.121 29.901 14.481 1.00 27.36 O ATOM 380 NE2 GLN A 338 -15.712 28.947 16.425 1.00 18.67 N ATOM 381 HA GLN A 338 -19.260 26.524 16.345 1.00 0.00 H ATOM 382 HB2 GLN A 338 -19.385 28.531 15.164 1.00 0.00 H ATOM 383 HB3 GLN A 338 -18.299 28.939 16.513 1.00 0.00 H ATOM 384 HG2 GLN A 338 -17.163 28.115 13.834 1.00 0.00 H ATOM 385 HG3 GLN A 338 -17.754 29.774 14.087 1.00 0.00 H ATOM 386 HE22 GLN A 338 -16.435 28.440 16.974 1.00 0.00 H ATOM 387 HE21 GLN A 338 -14.797 29.180 16.860 1.00 0.00 H ATOM 388 H GLN A 338 -16.697 27.490 17.269 1.00 0.00 H ATOM 389 N ASP A 339 -19.038 25.689 13.952 1.00 25.15 N ATOM 390 CA ASP A 339 -18.886 24.939 12.704 1.00 24.85 C ATOM 391 C ASP A 339 -18.206 23.584 12.851 1.00 24.20 C ATOM 392 O ASP A 339 -17.225 23.314 12.153 1.00 20.56 O ATOM 393 CB ASP A 339 -18.080 25.753 11.676 1.00 26.54 C ATOM 394 CG ASP A 339 -18.699 27.093 11.383 1.00 27.80 C ATOM 395 OD1 ASP A 339 -19.936 27.155 11.294 1.00 30.84 O ATOM 396 OD2 ASP A 339 -17.948 28.085 11.232 1.00 28.82 O ATOM 397 HA ASP A 339 -19.909 24.760 12.372 1.00 0.00 H ATOM 398 HB2 ASP A 339 -17.075 25.911 12.066 1.00 0.00 H ATOM 399 HB3 ASP A 339 -18.023 25.184 10.748 1.00 0.00 H ATOM 400 H ASP A 339 -19.989 25.997 14.240 1.00 0.00 H ATOM 401 N PRO A 340 -18.729 22.712 13.728 1.00 24.40 N ATOM 402 CA PRO A 340 -18.097 21.392 13.843 1.00 23.34 C ATOM 403 C PRO A 340 -18.189 20.594 12.523 1.00 24.77 C ATOM 404 O PRO A 340 -17.393 19.682 12.287 1.00 22.13 O ATOM 405 CB PRO A 340 -18.897 20.714 14.968 1.00 25.47 C ATOM 406 CG PRO A 340 -20.206 21.445 14.999 1.00 25.67 C ATOM 407 CD PRO A 340 -19.866 22.868 14.652 1.00 25.04 C ATOM 408 HA PRO A 340 -17.030 21.453 14.055 1.00 0.00 H ATOM 409 HD3 PRO A 340 -20.704 23.365 14.164 1.00 0.00 H ATOM 410 HD2 PRO A 340 -19.578 23.431 15.539 1.00 0.00 H ATOM 411 HG3 PRO A 340 -20.653 21.389 15.992 1.00 0.00 H ATOM 412 HG2 PRO A 340 -20.896 21.026 14.267 1.00 0.00 H ATOM 413 HB2 PRO A 340 -19.051 19.658 14.747 1.00 0.00 H ATOM 414 HB3 PRO A 340 -18.379 20.813 15.922 1.00 0.00 H ATOM 415 N ASP A 341 -19.146 20.949 11.670 1.00 25.82 N ATOM 416 CA ASP A 341 -19.261 20.341 10.335 1.00 28.28 C ATOM 417 C ASP A 341 -18.101 20.747 9.407 1.00 28.30 C ATOM 418 O ASP A 341 -17.899 20.157 8.344 1.00 26.51 O ATOM 419 CB ASP A 341 -20.618 20.689 9.698 1.00 28.49 C ATOM 420 CG ASP A 341 -20.903 22.192 9.684 1.00 32.74 C ATOM 421 OD1 ASP A 341 -20.685 22.869 10.717 1.00 32.52 O ATOM 422 OD2 ASP A 341 -21.361 22.700 8.633 1.00 38.73 O ATOM 423 HA ASP A 341 -19.201 19.261 10.466 1.00 0.00 H ATOM 424 HB2 ASP A 341 -20.624 20.324 8.671 1.00 0.00 H ATOM 425 HB3 ASP A 341 -21.406 20.191 10.263 1.00 0.00 H ATOM 426 H ASP A 341 -19.832 21.677 11.955 1.00 0.00 H ATOM 427 N LYS A 342 -17.352 21.765 9.825 1.00 23.80 N ATOM 428 CA LYS A 342 -16.208 22.271 9.080 1.00 23.30 C ATOM 429 C LYS A 342 -14.906 22.038 9.830 1.00 22.70 C ATOM 430 O LYS A 342 -13.872 22.569 9.444 1.00 20.66 O ATOM 431 CB LYS A 342 -16.359 23.771 8.812 1.00 24.21 C ATOM 432 CG LYS A 342 -17.537 24.146 7.944 1.00 26.30 C ATOM 433 CD LYS A 342 -17.540 25.646 7.644 1.00 31.38 C ATOM 434 CE LYS A 342 -18.746 26.052 6.785 1.00 40.15 C ATOM 435 NZ LYS A 342 -18.743 27.509 6.419 1.00 38.12 N ATOM 436 HA LYS A 342 -16.176 21.727 8.136 1.00 0.00 H ATOM 437 HB2 LYS A 342 -16.470 24.277 9.771 1.00 0.00 H ATOM 438 HB3 LYS A 342 -15.451 24.121 8.321 1.00 0.00 H ATOM 439 HG2 LYS A 342 -17.479 23.594 7.006 1.00 0.00 H ATOM 440 HG3 LYS A 342 -18.460 23.884 8.462 1.00 0.00 H ATOM 441 HD2 LYS A 342 -17.576 26.195 8.585 1.00 0.00 H ATOM 442 HD3 LYS A 342 -16.624 25.902 7.111 1.00 0.00 H ATOM 443 HE2 LYS A 342 -19.658 25.835 7.342 1.00 0.00 H ATOM 444 HE3 LYS A 342 -18.733 25.463 5.868 1.00 0.00 H ATOM 445 HZ1 LYS A 342 -18.765 28.083 7.286 1.00 0.00 H ATOM 446 HZ2 LYS A 342 -17.882 27.728 5.878 1.00 0.00 H ATOM 447 HZ3 LYS A 342 -19.580 27.721 5.840 1.00 0.00 H ATOM 448 H LYS A 342 -17.596 22.221 10.727 1.00 0.00 H ATOM 449 N GLN A 343 -14.964 21.273 10.919 1.00 22.50 N ATOM 450 CA GLN A 343 -13.768 20.929 11.680 1.00 23.16 C ATOM 451 C GLN A 343 -13.262 19.553 11.259 1.00 25.26 C ATOM 452 O GLN A 343 -13.942 18.550 11.465 1.00 26.30 O ATOM 453 CB GLN A 343 -14.067 20.927 13.187 1.00 22.56 C ATOM 454 CG GLN A 343 -14.440 22.286 13.763 1.00 22.74 C ATOM 455 CD GLN A 343 -14.734 22.215 15.255 1.00 25.58 C ATOM 456 OE1 GLN A 343 -14.117 21.439 15.969 1.00 28.91 O ATOM 457 NE2 GLN A 343 -15.685 23.020 15.725 1.00 24.24 N ATOM 458 HA GLN A 343 -13.003 21.677 11.475 1.00 0.00 H ATOM 459 HB2 GLN A 343 -14.895 20.242 13.368 1.00 0.00 H ATOM 460 HB3 GLN A 343 -13.180 20.568 13.709 1.00 0.00 H ATOM 461 HG2 GLN A 343 -13.612 22.976 13.600 1.00 0.00 H ATOM 462 HG3 GLN A 343 -15.326 22.655 13.247 1.00 0.00 H ATOM 463 HE22 GLN A 343 -16.185 23.665 15.081 1.00 0.00 H ATOM 464 HE21 GLN A 343 -15.928 23.003 16.736 1.00 0.00 H ATOM 465 H GLN A 343 -15.886 20.911 11.235 1.00 0.00 H ATOM 466 N LEU A 344 -12.072 19.505 10.666 1.00 22.54 N ATOM 467 CA LEU A 344 -11.488 18.239 10.227 1.00 24.43 C ATOM 468 C LEU A 344 -10.775 17.571 11.394 1.00 23.38 C ATOM 469 O LEU A 344 -10.020 18.226 12.116 1.00 23.37 O ATOM 470 CB LEU A 344 -10.483 18.458 9.080 1.00 21.21 C ATOM 471 CG LEU A 344 -10.971 19.168 7.811 1.00 24.18 C ATOM 472 CD1 LEU A 344 -9.879 19.159 6.733 1.00 19.78 C ATOM 473 CD2 LEU A 344 -12.233 18.518 7.292 1.00 25.78 C ATOM 474 HA LEU A 344 -12.295 17.602 9.866 1.00 0.00 H ATOM 475 HB2 LEU A 344 -9.658 19.046 9.482 1.00 0.00 H ATOM 476 HB3 LEU A 344 -10.116 17.476 8.780 1.00 0.00 H ATOM 477 HG LEU A 344 -11.196 20.204 8.063 1.00 0.00 H ATOM 478 HD21 LEU A 344 -12.032 17.473 7.058 1.00 0.00 H ATOM 479 HD22 LEU A 344 -13.011 18.578 8.053 1.00 0.00 H ATOM 480 HD23 LEU A 344 -12.563 19.036 6.392 1.00 0.00 H ATOM 481 HD11 LEU A 344 -8.995 19.674 7.109 1.00 0.00 H ATOM 482 HD12 LEU A 344 -9.623 18.129 6.486 1.00 0.00 H ATOM 483 HD13 LEU A 344 -10.246 19.668 5.842 1.00 0.00 H ATOM 484 H LEU A 344 -11.545 20.388 10.511 1.00 0.00 H ATOM 485 N MET A 345 -10.997 16.272 11.555 1.00 22.36 N ATOM 486 CA MET A 345 -10.350 15.488 12.604 1.00 25.64 C ATOM 487 C MET A 345 -9.126 14.794 12.032 1.00 26.40 C ATOM 488 O MET A 345 -9.250 14.030 11.082 1.00 26.90 O ATOM 489 CB MET A 345 -11.319 14.430 13.136 1.00 28.54 C ATOM 490 CG MET A 345 -12.633 14.995 13.617 1.00 27.99 C ATOM 491 SD MET A 345 -12.356 16.033 15.061 1.00 35.37 S ATOM 492 CE MET A 345 -11.570 14.849 16.152 1.00 30.76 C ATOM 493 HA MET A 345 -10.056 16.153 13.416 1.00 0.00 H ATOM 494 HB2 MET A 345 -11.523 13.717 12.337 1.00 0.00 H ATOM 495 HB3 MET A 345 -10.841 13.914 13.969 1.00 0.00 H ATOM 496 HG2 MET A 345 -13.304 14.178 13.881 1.00 0.00 H ATOM 497 HG3 MET A 345 -13.084 15.591 12.823 1.00 0.00 H ATOM 498 HE1 MET A 345 -12.249 14.015 16.330 1.00 0.00 H ATOM 499 HE2 MET A 345 -10.654 14.482 15.688 1.00 0.00 H ATOM 500 HE3 MET A 345 -11.331 15.333 17.099 1.00 0.00 H ATOM 501 H MET A 345 -11.657 15.794 10.909 1.00 0.00 H ATOM 502 N CYS A 346 -7.946 15.056 12.593 1.00 23.73 N ATOM 503 CA CYS A 346 -6.738 14.447 12.064 1.00 26.91 C ATOM 504 C CYS A 346 -6.758 12.940 12.282 1.00 31.57 C ATOM 505 O CYS A 346 -7.066 12.463 13.371 1.00 29.24 O ATOM 506 CB CYS A 346 -5.488 15.040 12.695 1.00 27.36 C ATOM 507 SG CYS A 346 -3.941 14.278 12.122 1.00 28.24 S ATOM 508 HA CYS A 346 -6.712 14.656 10.995 1.00 0.00 H ATOM 509 HB2 CYS A 346 -5.555 14.911 13.775 1.00 0.00 H ATOM 510 HB3 CYS A 346 -5.455 16.103 12.458 1.00 0.00 H ATOM 511 HG CYS A 346 -2.872 14.883 12.750 1.00 0.00 H ATOM 512 H CYS A 346 -7.890 15.697 13.410 1.00 0.00 H ATOM 513 N ASP A 347 -6.426 12.190 11.241 1.00 30.88 N ATOM 514 CA ASP A 347 -6.425 10.740 11.351 1.00 34.48 C ATOM 515 C ASP A 347 -5.223 10.164 12.112 1.00 33.45 C ATOM 516 O ASP A 347 -5.173 8.961 12.371 1.00 35.86 O ATOM 517 CB ASP A 347 -6.611 10.089 9.977 1.00 30.94 C ATOM 518 CG ASP A 347 -8.042 10.167 9.504 1.00 34.72 C ATOM 519 OD1 ASP A 347 -8.934 9.785 10.287 1.00 34.84 O ATOM 520 OD2 ASP A 347 -8.290 10.632 8.372 1.00 33.46 O ATOM 521 HA ASP A 347 -7.284 10.484 11.971 1.00 0.00 H ATOM 522 HB2 ASP A 347 -5.973 10.600 9.256 1.00 0.00 H ATOM 523 HB3 ASP A 347 -6.318 9.041 10.041 1.00 0.00 H ATOM 524 H ASP A 347 -6.165 12.641 10.341 1.00 0.00 H ATOM 525 N GLU A 348 -4.271 11.014 12.489 1.00 33.05 N ATOM 526 CA GLU A 348 -3.177 10.569 13.355 1.00 34.26 C ATOM 527 C GLU A 348 -3.332 11.038 14.808 1.00 34.87 C ATOM 528 O GLU A 348 -3.445 10.213 15.723 1.00 36.93 O ATOM 529 CB GLU A 348 -1.805 10.982 12.801 1.00 36.91 C ATOM 530 CG GLU A 348 -0.646 10.608 13.727 1.00 39.19 C ATOM 531 CD GLU A 348 0.726 10.842 13.110 1.00 49.61 C ATOM 532 OE1 GLU A 348 0.829 10.905 11.858 1.00 49.88 O ATOM 533 OE2 GLU A 348 1.708 10.954 13.882 1.00 49.20 O ATOM 534 HA GLU A 348 -3.233 9.480 13.361 1.00 0.00 H ATOM 535 HB2 GLU A 348 -1.655 10.488 11.841 1.00 0.00 H ATOM 536 HB3 GLU A 348 -1.800 12.062 12.657 1.00 0.00 H ATOM 537 HG2 GLU A 348 -0.723 11.206 14.635 1.00 0.00 H ATOM 538 HG3 GLU A 348 -0.734 9.552 13.981 1.00 0.00 H ATOM 539 H GLU A 348 -4.304 12.002 12.166 1.00 0.00 H ATOM 540 N CYS A 349 -3.349 12.352 15.024 1.00 32.09 N ATOM 541 CA CYS A 349 -3.405 12.893 16.386 1.00 31.85 C ATOM 542 C CYS A 349 -4.828 13.097 16.903 1.00 30.05 C ATOM 543 O CYS A 349 -5.034 13.335 18.094 1.00 30.86 O ATOM 544 CB CYS A 349 -2.642 14.220 16.469 1.00 34.74 C ATOM 545 SG CYS A 349 -3.530 15.628 15.745 1.00 28.78 S ATOM 546 HA CYS A 349 -2.935 12.144 17.023 1.00 0.00 H ATOM 547 HB2 CYS A 349 -1.694 14.105 15.943 1.00 0.00 H ATOM 548 HB3 CYS A 349 -2.449 14.440 17.519 1.00 0.00 H ATOM 549 HG CYS A 349 -3.773 15.379 14.409 1.00 0.00 H ATOM 550 H CYS A 349 -3.322 13.004 14.215 1.00 0.00 H ATOM 551 N ASP A 350 -5.807 13.028 16.008 1.00 29.92 N ATOM 552 CA ASP A 350 -7.218 13.206 16.381 1.00 31.08 C ATOM 553 C ASP A 350 -7.614 14.588 16.911 1.00 29.30 C ATOM 554 O ASP A 350 -8.652 14.721 17.556 1.00 30.20 O ATOM 555 CB ASP A 350 -7.673 12.144 17.394 1.00 31.94 C ATOM 556 CG ASP A 350 -9.177 11.897 17.333 1.00 38.68 C ATOM 557 OD1 ASP A 350 -9.724 11.830 16.203 1.00 39.27 O ATOM 558 OD2 ASP A 350 -9.821 11.777 18.399 1.00 39.95 O ATOM 559 HA ASP A 350 -7.732 13.092 15.427 1.00 0.00 H ATOM 560 HB2 ASP A 350 -7.154 11.209 17.180 1.00 0.00 H ATOM 561 HB3 ASP A 350 -7.413 12.481 18.397 1.00 0.00 H ATOM 562 H ASP A 350 -5.568 12.842 15.013 1.00 0.00 H ATOM 563 N MET A 351 -6.798 15.607 16.668 1.00 25.65 N ATOM 564 CA MET A 351 -7.209 16.969 16.991 1.00 26.35 C ATOM 565 C MET A 351 -8.151 17.499 15.893 1.00 24.30 C ATOM 566 O MET A 351 -8.169 16.974 14.773 1.00 24.76 O ATOM 567 CB MET A 351 -5.986 17.878 17.149 1.00 24.66 C ATOM 568 CG MET A 351 -5.070 17.506 18.308 1.00 29.73 C ATOM 569 SD MET A 351 -5.757 18.008 19.893 1.00 36.89 S ATOM 570 CE MET A 351 -4.585 17.272 21.032 1.00 42.94 C ATOM 571 HA MET A 351 -7.744 16.965 17.940 1.00 0.00 H ATOM 572 HB2 MET A 351 -5.406 17.832 16.227 1.00 0.00 H ATOM 573 HB3 MET A 351 -6.337 18.898 17.306 1.00 0.00 H ATOM 574 HG2 MET A 351 -4.107 17.998 18.169 1.00 0.00 H ATOM 575 HG3 MET A 351 -4.927 16.425 18.312 1.00 0.00 H ATOM 576 HE1 MET A 351 -4.571 16.192 20.889 1.00 0.00 H ATOM 577 HE2 MET A 351 -3.592 17.678 20.842 1.00 0.00 H ATOM 578 HE3 MET A 351 -4.883 17.500 22.055 1.00 0.00 H ATOM 579 H MET A 351 -5.863 15.434 16.246 1.00 0.00 H ATOM 580 N ALA A 352 -8.930 18.531 16.216 1.00 19.79 N ATOM 581 CA ALA A 352 -9.838 19.158 15.250 1.00 21.02 C ATOM 582 C ALA A 352 -9.229 20.435 14.672 1.00 20.88 C ATOM 583 O ALA A 352 -8.511 21.157 15.385 1.00 19.70 O ATOM 584 CB ALA A 352 -11.180 19.481 15.900 1.00 20.87 C ATOM 585 HA ALA A 352 -9.996 18.447 14.439 1.00 0.00 H ATOM 586 HB1 ALA A 352 -11.636 18.561 16.266 1.00 0.00 H ATOM 587 HB2 ALA A 352 -11.023 20.167 16.733 1.00 0.00 H ATOM 588 HB3 ALA A 352 -11.836 19.945 15.164 1.00 0.00 H ATOM 589 H ALA A 352 -8.893 18.904 17.186 1.00 0.00 H ATOM 590 N PHE A 353 -9.552 20.714 13.404 1.00 17.60 N ATOM 591 CA PHE A 353 -9.075 21.908 12.685 1.00 18.35 C ATOM 592 C PHE A 353 -10.136 22.503 11.755 1.00 19.08 C ATOM 593 O PHE A 353 -10.594 21.830 10.824 1.00 18.21 O ATOM 594 CB PHE A 353 -7.855 21.570 11.826 1.00 16.47 C ATOM 595 CG PHE A 353 -6.684 21.053 12.601 1.00 19.02 C ATOM 596 CD1 PHE A 353 -6.652 19.741 13.045 1.00 19.85 C ATOM 597 CD2 PHE A 353 -5.597 21.858 12.848 1.00 20.01 C ATOM 598 CE1 PHE A 353 -5.568 19.263 13.771 1.00 21.40 C ATOM 599 CE2 PHE A 353 -4.510 21.383 13.572 1.00 20.62 C ATOM 600 CZ PHE A 353 -4.499 20.079 14.030 1.00 20.19 C ATOM 601 HA PHE A 353 -8.826 22.637 13.457 1.00 0.00 H ATOM 602 HB2 PHE A 353 -8.147 20.811 11.100 1.00 0.00 H ATOM 603 HB3 PHE A 353 -7.546 22.473 11.300 1.00 0.00 H ATOM 604 HD2 PHE A 353 -5.588 22.881 12.471 1.00 0.00 H ATOM 605 HE2 PHE A 353 -3.665 22.040 13.779 1.00 0.00 H ATOM 606 HZ PHE A 353 -3.645 19.703 14.594 1.00 0.00 H ATOM 607 HE1 PHE A 353 -5.568 18.236 14.135 1.00 0.00 H ATOM 608 HD1 PHE A 353 -7.487 19.076 12.822 1.00 0.00 H ATOM 609 H PHE A 353 -10.174 20.052 12.898 1.00 0.00 H ATOM 610 N HIS A 354 -10.512 23.762 11.972 1.00 15.08 N ATOM 611 CA HIS A 354 -11.414 24.412 11.039 1.00 16.87 C ATOM 612 C HIS A 354 -10.732 24.413 9.676 1.00 18.99 C ATOM 613 O HIS A 354 -9.530 24.690 9.592 1.00 17.64 O ATOM 614 CB HIS A 354 -11.688 25.861 11.434 1.00 18.31 C ATOM 615 CG HIS A 354 -12.610 26.021 12.606 1.00 20.06 C ATOM 616 ND1 HIS A 354 -12.260 26.733 13.733 1.00 18.68 N ATOM 617 CD2 HIS A 354 -13.876 25.589 12.814 1.00 19.75 C ATOM 618 CE1 HIS A 354 -13.267 26.728 14.590 1.00 20.46 C ATOM 619 NE2 HIS A 354 -14.262 26.043 14.052 1.00 22.00 N ATOM 620 HA HIS A 354 -12.363 23.876 11.031 1.00 0.00 H ATOM 621 HB2 HIS A 354 -10.737 26.333 11.681 1.00 0.00 H ATOM 622 HB3 HIS A 354 -12.133 26.369 10.578 1.00 0.00 H ATOM 623 HD2 HIS A 354 -14.477 24.992 12.128 1.00 0.00 H ATOM 624 HE1 HIS A 354 -13.275 27.206 15.570 1.00 0.00 H ATOM 625 H HIS A 354 -10.161 24.276 12.805 1.00 0.00 H ATOM 626 N ILE A 355 -11.480 24.097 8.617 1.00 18.63 N ATOM 627 CA ILE A 355 -10.908 24.172 7.262 1.00 18.63 C ATOM 628 C ILE A 355 -10.372 25.572 6.975 1.00 20.33 C ATOM 629 O ILE A 355 -9.329 25.735 6.312 1.00 20.80 O ATOM 630 CB ILE A 355 -11.920 23.787 6.141 1.00 17.66 C ATOM 631 CG1 ILE A 355 -13.162 24.672 6.181 1.00 18.13 C ATOM 632 CG2 ILE A 355 -12.311 22.332 6.234 1.00 22.35 C ATOM 633 CD1 ILE A 355 -14.136 24.385 5.031 1.00 20.44 C ATOM 634 HA ILE A 355 -10.099 23.442 7.247 1.00 0.00 H ATOM 635 HB ILE A 355 -11.419 23.949 5.187 1.00 0.00 H ATOM 636 HG12 ILE A 355 -13.679 24.504 7.126 1.00 0.00 H ATOM 637 HG13 ILE A 355 -12.849 25.714 6.120 1.00 0.00 H ATOM 638 HD11 ILE A 355 -13.634 24.559 4.079 1.00 0.00 H ATOM 639 HD12 ILE A 355 -14.465 23.347 5.085 1.00 0.00 H ATOM 640 HD13 ILE A 355 -14.999 25.046 5.114 1.00 0.00 H ATOM 641 HG21 ILE A 355 -11.422 21.711 6.129 1.00 0.00 H ATOM 642 HG22 ILE A 355 -12.775 22.143 7.202 1.00 0.00 H ATOM 643 HG23 ILE A 355 -13.018 22.095 5.438 1.00 0.00 H ATOM 644 H ILE A 355 -12.467 23.798 8.749 1.00 0.00 H ATOM 645 N TYR A 356 -11.065 26.587 7.482 1.00 18.74 N ATOM 646 CA TYR A 356 -10.648 27.965 7.216 1.00 20.69 C ATOM 647 C TYR A 356 -9.512 28.472 8.121 1.00 20.03 C ATOM 648 O TYR A 356 -9.017 29.579 7.938 1.00 23.36 O ATOM 649 CB TYR A 356 -11.840 28.917 7.239 1.00 17.96 C ATOM 650 CG TYR A 356 -12.748 28.787 8.457 1.00 21.33 C ATOM 651 CD1 TYR A 356 -12.281 29.041 9.746 1.00 18.79 C ATOM 652 CD2 TYR A 356 -14.089 28.438 8.303 1.00 20.73 C ATOM 653 CE1 TYR A 356 -13.143 28.928 10.859 1.00 22.58 C ATOM 654 CE2 TYR A 356 -14.937 28.322 9.388 1.00 21.14 C ATOM 655 CZ TYR A 356 -14.477 28.571 10.660 1.00 21.46 C ATOM 656 OH TYR A 356 -15.359 28.460 11.724 1.00 20.66 O ATOM 657 HA TYR A 356 -10.228 27.949 6.210 1.00 0.00 H ATOM 658 HB3 TYR A 356 -12.440 28.729 6.349 1.00 0.00 H ATOM 659 HB2 TYR A 356 -11.458 29.937 7.209 1.00 0.00 H ATOM 660 HD2 TYR A 356 -14.478 28.252 7.302 1.00 0.00 H ATOM 661 HE2 TYR A 356 -15.976 28.032 9.235 1.00 0.00 H ATOM 662 HE1 TYR A 356 -12.769 29.118 11.865 1.00 0.00 H ATOM 663 HD1 TYR A 356 -11.241 29.330 9.896 1.00 0.00 H ATOM 664 HH TYR A 356 -16.107 29.097 11.599 1.00 0.00 H ATOM 665 H TYR A 356 -11.904 26.402 8.068 1.00 0.00 H ATOM 666 N CYS A 357 -9.075 27.649 9.064 1.00 20.64 N ATOM 667 CA CYS A 357 -7.956 28.013 9.927 1.00 19.85 C ATOM 668 C CYS A 357 -6.647 27.419 9.439 1.00 21.66 C ATOM 669 O CYS A 357 -5.569 27.819 9.881 1.00 20.08 O ATOM 670 CB CYS A 357 -8.214 27.565 11.375 1.00 20.03 C ATOM 671 SG CYS A 357 -9.378 28.610 12.268 1.00 17.55 S ATOM 672 HA CYS A 357 -7.872 29.099 9.893 1.00 0.00 H ATOM 673 HB2 CYS A 357 -7.265 27.573 11.911 1.00 0.00 H ATOM 674 HB3 CYS A 357 -8.610 26.550 11.355 1.00 0.00 H ATOM 675 HG CYS A 357 -8.889 29.900 12.320 1.00 0.00 H ATOM 676 H CYS A 357 -9.538 26.727 9.191 1.00 0.00 H ATOM 677 N LEU A 358 -6.740 26.450 8.531 1.00 20.06 N ATOM 678 CA LEU A 358 -5.552 25.805 7.998 1.00 20.72 C ATOM 679 C LEU A 358 -4.780 26.801 7.151 1.00 20.82 C ATOM 680 O LEU A 358 -5.339 27.809 6.710 1.00 19.11 O ATOM 681 CB LEU A 358 -5.943 24.597 7.143 1.00 17.55 C ATOM 682 CG LEU A 358 -6.558 23.416 7.899 1.00 22.11 C ATOM 683 CD1 LEU A 358 -7.145 22.410 6.915 1.00 22.36 C ATOM 684 CD2 LEU A 358 -5.521 22.760 8.827 1.00 17.65 C ATOM 685 HA LEU A 358 -4.929 25.462 8.825 1.00 0.00 H ATOM 686 HB2 LEU A 358 -6.667 24.933 6.401 1.00 0.00 H ATOM 687 HB3 LEU A 358 -5.046 24.240 6.638 1.00 0.00 H ATOM 688 HG LEU A 358 -7.368 23.785 8.528 1.00 0.00 H ATOM 689 HD21 LEU A 358 -4.681 22.398 8.233 1.00 0.00 H ATOM 690 HD22 LEU A 358 -5.167 23.494 9.550 1.00 0.00 H ATOM 691 HD23 LEU A 358 -5.983 21.924 9.352 1.00 0.00 H ATOM 692 HD11 LEU A 358 -7.918 22.895 6.319 1.00 0.00 H ATOM 693 HD12 LEU A 358 -6.356 22.043 6.259 1.00 0.00 H ATOM 694 HD13 LEU A 358 -7.579 21.576 7.466 1.00 0.00 H ATOM 695 H LEU A 358 -7.678 26.150 8.198 1.00 0.00 H ATOM 696 N ASP A 359 -3.500 26.516 6.929 1.00 20.53 N ATOM 697 CA ASP A 359 -2.670 27.296 6.004 1.00 24.50 C ATOM 698 C ASP A 359 -2.012 26.325 5.026 1.00 25.76 C ATOM 699 O ASP A 359 -1.092 25.591 5.394 1.00 28.38 O ATOM 700 CB ASP A 359 -1.620 28.098 6.795 1.00 27.96 C ATOM 701 CG ASP A 359 -0.733 28.986 5.913 1.00 35.26 C ATOM 702 OD1 ASP A 359 -0.873 28.988 4.665 1.00 31.49 O ATOM 703 OD2 ASP A 359 0.125 29.696 6.492 1.00 37.09 O ATOM 704 HA ASP A 359 -3.275 28.011 5.447 1.00 0.00 H ATOM 705 HB2 ASP A 359 -2.140 28.734 7.512 1.00 0.00 H ATOM 706 HB3 ASP A 359 -0.981 27.396 7.330 1.00 0.00 H ATOM 707 H ASP A 359 -3.072 25.711 7.429 1.00 0.00 H ATOM 708 N PRO A 360 -2.505 26.281 3.779 1.00 21.89 N ATOM 709 CA PRO A 360 -3.607 27.081 3.238 1.00 22.18 C ATOM 710 C PRO A 360 -4.986 26.615 3.708 1.00 20.86 C ATOM 711 O PRO A 360 -5.203 25.411 3.911 1.00 21.47 O ATOM 712 CB PRO A 360 -3.497 26.817 1.724 1.00 22.45 C ATOM 713 CG PRO A 360 -3.039 25.398 1.663 1.00 22.38 C ATOM 714 CD PRO A 360 -1.994 25.320 2.782 1.00 24.11 C ATOM 715 HA PRO A 360 -3.527 28.122 3.550 1.00 0.00 H ATOM 716 HD3 PRO A 360 -1.939 24.314 3.199 1.00 0.00 H ATOM 717 HD2 PRO A 360 -1.009 25.616 2.421 1.00 0.00 H ATOM 718 HG3 PRO A 360 -2.593 25.172 0.694 1.00 0.00 H ATOM 719 HG2 PRO A 360 -3.865 24.712 1.850 1.00 0.00 H ATOM 720 HB2 PRO A 360 -4.463 26.939 1.234 1.00 0.00 H ATOM 721 HB3 PRO A 360 -2.769 27.484 1.262 1.00 0.00 H ATOM 722 N PRO A 361 -5.924 27.556 3.839 1.00 19.16 N ATOM 723 CA PRO A 361 -7.323 27.261 4.183 1.00 20.90 C ATOM 724 C PRO A 361 -8.054 26.596 3.029 1.00 22.05 C ATOM 725 O PRO A 361 -7.823 26.929 1.849 1.00 20.95 O ATOM 726 CB PRO A 361 -7.922 28.640 4.430 1.00 19.46 C ATOM 727 CG PRO A 361 -7.080 29.566 3.560 1.00 22.85 C ATOM 728 CD PRO A 361 -5.697 28.995 3.599 1.00 23.12 C ATOM 729 HA PRO A 361 -7.402 26.580 5.030 1.00 0.00 H ATOM 730 HD3 PRO A 361 -5.182 29.156 2.652 1.00 0.00 H ATOM 731 HD2 PRO A 361 -5.115 29.438 4.407 1.00 0.00 H ATOM 732 HG3 PRO A 361 -7.087 30.579 3.962 1.00 0.00 H ATOM 733 HG2 PRO A 361 -7.459 29.580 2.538 1.00 0.00 H ATOM 734 HB2 PRO A 361 -8.969 28.668 4.127 1.00 0.00 H ATOM 735 HB3 PRO A 361 -7.841 28.916 5.481 1.00 0.00 H ATOM 736 N LEU A 362 -8.921 25.646 3.363 1.00 20.45 N ATOM 737 CA LEU A 362 -9.701 24.932 2.355 1.00 20.66 C ATOM 738 C LEU A 362 -11.089 25.545 2.277 1.00 23.23 C ATOM 739 O LEU A 362 -11.697 25.879 3.312 1.00 20.03 O ATOM 740 CB LEU A 362 -9.807 23.446 2.722 1.00 22.76 C ATOM 741 CG LEU A 362 -8.511 22.704 3.082 1.00 22.82 C ATOM 742 CD1 LEU A 362 -8.814 21.266 3.485 1.00 27.01 C ATOM 743 CD2 LEU A 362 -7.516 22.711 1.932 1.00 23.45 C ATOM 744 HA LEU A 362 -9.206 25.016 1.387 1.00 0.00 H ATOM 745 HB2 LEU A 362 -10.475 23.369 3.580 1.00 0.00 H ATOM 746 HB3 LEU A 362 -10.251 22.931 1.870 1.00 0.00 H ATOM 747 HG LEU A 362 -8.061 23.232 3.923 1.00 0.00 H ATOM 748 HD21 LEU A 362 -7.961 22.222 1.065 1.00 0.00 H ATOM 749 HD22 LEU A 362 -7.262 23.740 1.679 1.00 0.00 H ATOM 750 HD23 LEU A 362 -6.614 22.176 2.230 1.00 0.00 H ATOM 751 HD11 LEU A 362 -9.476 21.264 4.351 1.00 0.00 H ATOM 752 HD12 LEU A 362 -9.298 20.752 2.655 1.00 0.00 H ATOM 753 HD13 LEU A 362 -7.884 20.757 3.736 1.00 0.00 H ATOM 754 H LEU A 362 -9.047 25.405 4.367 1.00 0.00 H ATOM 755 N SER A 363 -11.593 25.702 1.054 1.00 22.79 N ATOM 756 CA SER A 363 -12.919 26.282 0.846 1.00 24.56 C ATOM 757 C SER A 363 -13.987 25.252 1.101 1.00 22.51 C ATOM 758 O SER A 363 -15.142 25.600 1.287 1.00 28.23 O ATOM 759 CB SER A 363 -13.083 26.825 -0.582 1.00 25.78 C ATOM 760 OG SER A 363 -11.939 27.549 -0.957 1.00 28.83 O ATOM 761 HA SER A 363 -13.022 27.109 1.548 1.00 0.00 H ATOM 762 HB2 SER A 363 -13.954 27.480 -0.621 1.00 0.00 H ATOM 763 HB3 SER A 363 -13.225 25.992 -1.271 1.00 0.00 H ATOM 764 HG SER A 363 -12.055 27.894 -1.878 1.00 0.00 H ATOM 765 H SER A 363 -11.032 25.406 0.230 1.00 0.00 H ATOM 766 N SER A 364 -13.623 23.976 1.073 1.00 23.23 N ATOM 767 CA SER A 364 -14.575 22.956 1.503 1.00 27.03 C ATOM 768 C SER A 364 -13.897 21.751 2.154 1.00 24.22 C ATOM 769 O SER A 364 -12.683 21.597 2.103 1.00 25.52 O ATOM 770 CB SER A 364 -15.492 22.524 0.343 1.00 28.45 C ATOM 771 OG SER A 364 -14.740 21.954 -0.705 1.00 29.03 O ATOM 772 HA SER A 364 -15.195 23.415 2.273 1.00 0.00 H ATOM 773 HB2 SER A 364 -16.027 23.396 -0.034 1.00 0.00 H ATOM 774 HB3 SER A 364 -16.209 21.789 0.709 1.00 0.00 H ATOM 775 HG SER A 364 -15.349 21.684 -1.438 1.00 0.00 H ATOM 776 H SER A 364 -12.672 23.706 0.749 1.00 0.00 H ATOM 777 N VAL A 365 -14.696 20.888 2.755 1.00 22.97 N ATOM 778 CA VAL A 365 -14.162 19.677 3.355 1.00 28.40 C ATOM 779 C VAL A 365 -13.687 18.706 2.278 1.00 30.71 C ATOM 780 O VAL A 365 -14.414 18.453 1.323 1.00 30.53 O ATOM 781 CB VAL A 365 -15.232 18.997 4.199 1.00 30.12 C ATOM 782 CG1 VAL A 365 -14.698 17.690 4.760 1.00 32.96 C ATOM 783 CG2 VAL A 365 -15.688 19.948 5.309 1.00 28.58 C ATOM 784 HA VAL A 365 -13.316 19.955 3.984 1.00 0.00 H ATOM 785 HB VAL A 365 -16.098 18.760 3.581 1.00 0.00 H ATOM 786 HG11 VAL A 365 -14.416 17.032 3.938 1.00 0.00 H ATOM 787 HG12 VAL A 365 -13.825 17.892 5.381 1.00 0.00 H ATOM 788 HG13 VAL A 365 -15.471 17.212 5.362 1.00 0.00 H ATOM 789 HG21 VAL A 365 -14.836 20.204 5.939 1.00 0.00 H ATOM 790 HG22 VAL A 365 -16.098 20.855 4.863 1.00 0.00 H ATOM 791 HG23 VAL A 365 -16.454 19.460 5.912 1.00 0.00 H ATOM 792 H VAL A 365 -15.718 21.077 2.799 1.00 0.00 H ATOM 793 N PRO A 366 -12.467 18.158 2.429 1.00 29.68 N ATOM 794 CA PRO A 366 -11.921 17.234 1.424 1.00 32.33 C ATOM 795 C PRO A 366 -12.687 15.910 1.354 1.00 36.97 C ATOM 796 O PRO A 366 -13.085 15.369 2.387 1.00 34.97 O ATOM 797 CB PRO A 366 -10.492 16.966 1.922 1.00 31.71 C ATOM 798 CG PRO A 366 -10.226 17.991 2.983 1.00 31.03 C ATOM 799 CD PRO A 366 -11.540 18.362 3.557 1.00 27.94 C ATOM 800 HA PRO A 366 -11.982 17.661 0.423 1.00 0.00 H ATOM 801 HD3 PRO A 366 -11.797 17.716 4.397 1.00 0.00 H ATOM 802 HD2 PRO A 366 -11.545 19.402 3.885 1.00 0.00 H ATOM 803 HG3 PRO A 366 -9.745 18.867 2.547 1.00 0.00 H ATOM 804 HG2 PRO A 366 -9.583 17.572 3.757 1.00 0.00 H ATOM 805 HB2 PRO A 366 -10.418 15.961 2.338 1.00 0.00 H ATOM 806 HB3 PRO A 366 -9.779 17.073 1.104 1.00 0.00 H ATOM 807 N SER A 367 -12.862 15.385 0.145 1.00 38.48 N ATOM 808 CA SER A 367 -13.589 14.133 -0.052 1.00 40.70 C ATOM 809 C SER A 367 -12.735 12.906 0.272 1.00 43.29 C ATOM 810 O SER A 367 -13.259 11.820 0.503 1.00 46.61 O ATOM 811 CB SER A 367 -14.121 14.039 -1.484 1.00 42.73 C ATOM 812 OG SER A 367 -15.098 13.011 -1.582 1.00 45.54 O ATOM 813 HA SER A 367 -14.427 14.141 0.645 1.00 0.00 H ATOM 814 HB2 SER A 367 -13.296 13.817 -2.160 1.00 0.00 H ATOM 815 HB3 SER A 367 -14.572 14.991 -1.764 1.00 0.00 H ATOM 816 HG SER A 367 -14.690 12.145 -1.331 1.00 0.00 H ATOM 817 H SER A 367 -12.471 15.879 -0.683 1.00 0.00 H ATOM 818 N GLU A 368 -11.421 13.085 0.296 1.00 43.04 N ATOM 819 CA GLU A 368 -10.502 11.984 0.576 1.00 43.00 C ATOM 820 C GLU A 368 -10.799 11.255 1.899 1.00 43.59 C ATOM 821 O GLU A 368 -11.237 11.871 2.879 1.00 45.88 O ATOM 822 CB GLU A 368 -9.052 12.487 0.543 1.00 45.11 C ATOM 823 CG GLU A 368 -8.912 14.024 0.520 1.00 47.42 C ATOM 824 CD GLU A 368 -8.932 14.619 -0.888 1.00 48.51 C ATOM 825 OE1 GLU A 368 -8.035 14.267 -1.693 1.00 52.88 O ATOM 826 OE2 GLU A 368 -9.833 15.447 -1.188 1.00 42.96 O ATOM 827 HA GLU A 368 -10.651 11.244 -0.211 1.00 0.00 H ATOM 828 HB2 GLU A 368 -8.540 12.111 1.429 1.00 0.00 H ATOM 829 HB3 GLU A 368 -8.572 12.087 -0.350 1.00 0.00 H ATOM 830 HG2 GLU A 368 -9.737 14.454 1.088 1.00 0.00 H ATOM 831 HG3 GLU A 368 -7.968 14.292 0.994 1.00 0.00 H ATOM 832 H GLU A 368 -11.035 14.033 0.111 1.00 0.00 H ATOM 833 N ASP A 369 -10.548 9.944 1.919 1.00 41.51 N ATOM 834 CA ASP A 369 -10.765 9.110 3.102 1.00 40.12 C ATOM 835 C ASP A 369 -10.039 9.688 4.300 1.00 43.14 C ATOM 836 O ASP A 369 -10.652 10.086 5.301 1.00 44.59 O ATOM 837 CB ASP A 369 -10.198 7.701 2.897 1.00 41.77 C ATOM 838 CG ASP A 369 -10.734 7.014 1.673 1.00 44.02 C ATOM 839 OD1 ASP A 369 -11.967 7.018 1.475 1.00 46.20 O ATOM 840 OD2 ASP A 369 -9.917 6.440 0.918 1.00 48.05 O ATOM 841 HA ASP A 369 -11.842 9.076 3.266 1.00 0.00 H ATOM 842 HB2 ASP A 369 -9.114 7.774 2.806 1.00 0.00 H ATOM 843 HB3 ASP A 369 -10.448 7.097 3.770 1.00 0.00 H ATOM 844 H ASP A 369 -10.182 9.495 1.055 1.00 0.00 H ATOM 845 N GLU A 370 -8.715 9.701 4.196 1.00 38.00 N ATOM 846 CA GLU A 370 -7.868 10.110 5.302 1.00 37.45 C ATOM 847 C GLU A 370 -7.338 11.524 5.130 1.00 37.53 C ATOM 848 O GLU A 370 -7.093 11.986 4.017 1.00 33.48 O ATOM 849 CB GLU A 370 -6.700 9.143 5.458 1.00 40.93 C ATOM 850 CG GLU A 370 -7.115 7.690 5.499 1.00 45.96 C ATOM 851 CD GLU A 370 -6.699 6.943 4.253 1.00 52.83 C ATOM 852 OE1 GLU A 370 -7.564 6.267 3.647 1.00 56.38 O ATOM 853 OE2 GLU A 370 -5.507 7.039 3.875 1.00 56.13 O ATOM 854 HA GLU A 370 -8.486 10.093 6.200 1.00 0.00 H ATOM 855 HB2 GLU A 370 -6.022 9.284 4.617 1.00 0.00 H ATOM 856 HB3 GLU A 370 -6.179 9.379 6.386 1.00 0.00 H ATOM 857 HG2 GLU A 370 -6.651 7.216 6.364 1.00 0.00 H ATOM 858 HG3 GLU A 370 -8.199 7.637 5.595 1.00 0.00 H ATOM 859 H GLU A 370 -8.274 9.411 3.300 1.00 0.00 H ATOM 860 N TRP A 371 -7.150 12.203 6.253 1.00 33.69 N ATOM 861 CA TRP A 371 -6.615 13.551 6.241 1.00 31.96 C ATOM 862 C TRP A 371 -5.683 13.701 7.437 1.00 28.55 C ATOM 863 O TRP A 371 -6.035 13.303 8.540 1.00 26.99 O ATOM 864 CB TRP A 371 -7.756 14.575 6.296 1.00 28.11 C ATOM 865 CG TRP A 371 -7.268 15.978 6.395 1.00 29.62 C ATOM 866 CD1 TRP A 371 -6.913 16.805 5.358 1.00 30.68 C ATOM 867 CD2 TRP A 371 -7.035 16.721 7.597 1.00 27.52 C ATOM 868 NE1 TRP A 371 -6.495 18.018 5.848 1.00 29.17 N ATOM 869 CE2 TRP A 371 -6.559 17.994 7.217 1.00 27.10 C ATOM 870 CE3 TRP A 371 -7.204 16.441 8.960 1.00 27.19 C ATOM 871 CZ2 TRP A 371 -6.245 18.980 8.145 1.00 27.82 C ATOM 872 CZ3 TRP A 371 -6.895 17.418 9.879 1.00 23.71 C ATOM 873 CH2 TRP A 371 -6.414 18.671 9.470 1.00 26.15 C ATOM 874 HA TRP A 371 -6.059 13.732 5.321 1.00 0.00 H ATOM 875 HB2 TRP A 371 -8.356 14.478 5.391 1.00 0.00 H ATOM 876 HB3 TRP A 371 -8.376 14.359 7.166 1.00 0.00 H ATOM 877 HE1 TRP A 371 -6.180 18.825 5.273 1.00 0.00 H ATOM 878 HD1 TRP A 371 -6.957 16.538 4.302 1.00 0.00 H ATOM 879 HZ2 TRP A 371 -5.880 19.958 7.832 1.00 0.00 H ATOM 880 HH2 TRP A 371 -6.168 19.418 10.225 1.00 0.00 H ATOM 881 HZ3 TRP A 371 -7.026 17.215 10.942 1.00 0.00 H ATOM 882 HE3 TRP A 371 -7.573 15.468 9.286 1.00 0.00 H ATOM 883 H TRP A 371 -7.391 11.759 7.162 1.00 0.00 H ATOM 884 N TYR A 372 -4.490 14.243 7.215 1.00 28.73 N ATOM 885 CA TYR A 372 -3.539 14.475 8.303 1.00 29.34 C ATOM 886 C TYR A 372 -3.256 15.964 8.478 1.00 29.96 C ATOM 887 O TYR A 372 -3.084 16.697 7.496 1.00 28.71 O ATOM 888 CB TYR A 372 -2.249 13.679 8.085 1.00 32.20 C ATOM 889 CG TYR A 372 -2.510 12.196 7.932 1.00 35.42 C ATOM 890 CD1 TYR A 372 -2.683 11.381 9.040 1.00 31.59 C ATOM 891 CD2 TYR A 372 -2.621 11.619 6.670 1.00 37.95 C ATOM 892 CE1 TYR A 372 -2.945 10.027 8.900 1.00 34.58 C ATOM 893 CE2 TYR A 372 -2.877 10.268 6.519 1.00 37.24 C ATOM 894 CZ TYR A 372 -3.035 9.479 7.630 1.00 38.60 C ATOM 895 OH TYR A 372 -3.294 8.141 7.462 1.00 44.06 O ATOM 896 HA TYR A 372 -3.992 14.118 9.228 1.00 0.00 H ATOM 897 HB3 TYR A 372 -1.592 13.833 8.941 1.00 0.00 H ATOM 898 HB2 TYR A 372 -1.759 14.044 7.182 1.00 0.00 H ATOM 899 HD2 TYR A 372 -2.504 12.243 5.784 1.00 0.00 H ATOM 900 HE2 TYR A 372 -2.953 9.833 5.523 1.00 0.00 H ATOM 901 HE1 TYR A 372 -3.079 9.399 9.781 1.00 0.00 H ATOM 902 HD1 TYR A 372 -2.612 11.812 10.038 1.00 0.00 H ATOM 903 HH TYR A 372 -3.382 7.709 8.349 1.00 0.00 H ATOM 904 H TYR A 372 -4.226 14.509 6.245 1.00 0.00 H ATOM 905 N CYS A 373 -3.231 16.408 9.736 1.00 28.95 N ATOM 906 CA CYS A 373 -3.126 17.825 10.041 1.00 28.33 C ATOM 907 C CYS A 373 -1.701 18.285 9.755 1.00 30.04 C ATOM 908 O CYS A 373 -0.829 17.457 9.524 1.00 32.59 O ATOM 909 CB CYS A 373 -3.476 18.068 11.515 1.00 27.01 C ATOM 910 SG CYS A 373 -2.100 17.740 12.629 1.00 23.39 S ATOM 911 HA CYS A 373 -3.823 18.391 9.422 1.00 0.00 H ATOM 912 HB2 CYS A 373 -4.306 17.416 11.787 1.00 0.00 H ATOM 913 HB3 CYS A 373 -3.779 19.108 11.633 1.00 0.00 H ATOM 914 HG CYS A 373 -2.495 17.981 13.929 1.00 0.00 H ATOM 915 H CYS A 373 -3.288 15.724 10.517 1.00 0.00 H ATOM 916 N PRO A 374 -1.454 19.604 9.785 1.00 28.79 N ATOM 917 CA PRO A 374 -0.119 20.156 9.489 1.00 33.63 C ATOM 918 C PRO A 374 0.991 19.627 10.407 1.00 31.06 C ATOM 919 O PRO A 374 2.149 19.527 9.996 1.00 28.44 O ATOM 920 CB PRO A 374 -0.303 21.663 9.713 1.00 36.04 C ATOM 921 CG PRO A 374 -1.768 21.901 9.577 1.00 33.07 C ATOM 922 CD PRO A 374 -2.438 20.660 10.070 1.00 28.46 C ATOM 923 HA PRO A 374 0.202 19.877 8.485 1.00 0.00 H ATOM 924 HD3 PRO A 374 -2.642 20.725 11.139 1.00 0.00 H ATOM 925 HD2 PRO A 374 -3.370 20.480 9.534 1.00 0.00 H ATOM 926 HG3 PRO A 374 -2.027 22.082 8.534 1.00 0.00 H ATOM 927 HG2 PRO A 374 -2.070 22.758 10.179 1.00 0.00 H ATOM 928 HB2 PRO A 374 0.040 21.947 10.708 1.00 0.00 H ATOM 929 HB3 PRO A 374 0.248 22.231 8.964 1.00 0.00 H ATOM 930 N GLU A 375 0.646 19.287 11.641 1.00 27.82 N ATOM 931 CA GLU A 375 1.649 18.780 12.572 1.00 30.27 C ATOM 932 C GLU A 375 2.017 17.322 12.273 1.00 33.19 C ATOM 933 O GLU A 375 3.155 16.902 12.490 1.00 33.26 O ATOM 934 CB GLU A 375 1.163 18.928 14.016 1.00 28.63 C ATOM 935 CG GLU A 375 0.703 20.331 14.317 1.00 27.27 C ATOM 936 CD GLU A 375 0.188 20.495 15.725 1.00 26.35 C ATOM 937 OE1 GLU A 375 -0.139 19.484 16.382 1.00 25.99 O ATOM 938 OE2 GLU A 375 0.115 21.651 16.169 1.00 26.84 O ATOM 939 HA GLU A 375 2.551 19.378 12.442 1.00 0.00 H ATOM 940 HB2 GLU A 375 0.332 18.242 14.180 1.00 0.00 H ATOM 941 HB3 GLU A 375 1.981 18.673 14.690 1.00 0.00 H ATOM 942 HG2 GLU A 375 1.543 21.010 14.173 1.00 0.00 H ATOM 943 HG3 GLU A 375 -0.096 20.591 13.623 1.00 0.00 H ATOM 944 H GLU A 375 -0.343 19.382 11.947 1.00 0.00 H ATOM 945 N CYS A 376 1.048 16.557 11.787 1.00 31.29 N ATOM 946 CA CYS A 376 1.273 15.151 11.471 1.00 34.19 C ATOM 947 C CYS A 376 1.585 14.890 9.982 1.00 37.91 C ATOM 948 O CYS A 376 2.142 13.845 9.648 1.00 42.58 O ATOM 949 CB CYS A 376 0.080 14.317 11.932 1.00 33.21 C ATOM 950 SG CYS A 376 -0.304 14.512 13.692 1.00 38.65 S ATOM 951 HA CYS A 376 2.168 14.848 12.015 1.00 0.00 H ATOM 952 HB2 CYS A 376 0.299 13.266 11.741 1.00 0.00 H ATOM 953 HB3 CYS A 376 -0.794 14.616 11.353 1.00 0.00 H ATOM 954 HG CYS A 376 -1.390 13.724 14.014 1.00 0.00 H ATOM 955 H CYS A 376 0.107 16.969 11.628 1.00 0.00 H ATOM 956 N ARG A 377 1.227 15.834 9.107 1.00 33.90 N ATOM 957 CA ARG A 377 1.458 15.714 7.658 1.00 42.20 C ATOM 958 C ARG A 377 2.894 15.258 7.390 1.00 47.99 C ATOM 959 O ARG A 377 3.851 15.886 7.847 1.00 45.96 O ATOM 960 CB ARG A 377 1.201 17.054 6.924 1.00 35.60 C ATOM 961 CG ARG A 377 -0.260 17.360 6.523 1.00 38.05 C ATOM 962 CD ARG A 377 -0.467 18.858 6.189 1.00 37.36 C ATOM 963 NE ARG A 377 -1.642 19.142 5.350 1.00 43.79 N ATOM 964 CZ ARG A 377 -2.880 19.395 5.796 1.00 34.91 C ATOM 965 NH1 ARG A 377 -3.136 19.388 7.079 1.00 33.03 N ATOM 966 NH2 ARG A 377 -3.882 19.644 4.941 1.00 41.38 N ATOM 967 HA ARG A 377 0.755 14.974 7.275 1.00 0.00 H ATOM 968 HB2 ARG A 377 1.539 17.858 7.577 1.00 0.00 H ATOM 969 HB3 ARG A 377 1.800 17.051 6.013 1.00 0.00 H ATOM 970 HG2 ARG A 377 -0.517 16.765 5.647 1.00 0.00 H ATOM 971 HG3 ARG A 377 -0.917 17.089 7.350 1.00 0.00 H ATOM 972 HD2 ARG A 377 0.420 19.215 5.665 1.00 0.00 H ATOM 973 HD3 ARG A 377 -0.578 19.403 7.126 1.00 0.00 H ATOM 974 HE ARG A 377 -1.499 19.147 4.320 1.00 0.00 H ATOM 975 HH12 ARG A 377 -4.099 19.585 7.418 1.00 0.00 H ATOM 976 HH11 ARG A 377 -2.376 19.185 7.760 1.00 0.00 H ATOM 977 HH22 ARG A 377 -4.838 19.839 5.302 1.00 0.00 H ATOM 978 HH21 ARG A 377 -3.704 19.643 3.916 1.00 0.00 H ATOM 979 H ARG A 377 0.764 16.693 9.466 1.00 0.00 H ATOM 980 N ASN A 378 3.043 14.158 6.659 1.00 51.41 N ATOM 981 CA ASN A 378 4.362 13.730 6.215 1.00 54.31 C ATOM 982 C ASN A 378 4.717 14.544 4.979 1.00 59.83 C ATOM 983 O ASN A 378 4.477 14.114 3.849 1.00 62.99 O ATOM 984 CB ASN A 378 4.374 12.235 5.906 1.00 56.38 C ATOM 985 HA ASN A 378 5.098 13.897 7.001 1.00 0.00 H ATOM 986 HB2 ASN A 378 4.108 11.678 6.804 1.00 0.00 H ATOM 987 HB3 ASN A 378 3.652 12.022 5.118 1.00 0.00 H ATOM 988 H ASN A 378 2.207 13.596 6.401 1.00 0.00 H ATOM 989 N ASP A 379 5.259 15.736 5.218 1.00 60.31 N ATOM 990 CA ASP A 379 5.676 16.674 4.172 1.00 64.34 C ATOM 991 C ASP A 379 5.493 16.164 2.738 1.00 66.69 C ATOM 992 O ASP A 379 5.061 16.906 1.850 1.00 64.71 O ATOM 993 CB ASP A 379 7.132 17.078 4.410 1.00 66.69 C ATOM 994 CG ASP A 379 7.462 17.200 5.888 1.00 70.62 C ATOM 995 OD1 ASP A 379 7.782 16.161 6.512 1.00 70.27 O ATOM 996 OD2 ASP A 379 7.390 18.328 6.428 1.00 71.46 O ATOM 997 HA ASP A 379 5.011 17.534 4.252 1.00 0.00 H ATOM 998 HB2 ASP A 379 7.782 16.324 3.966 1.00 0.00 H ATOM 999 HB3 ASP A 379 7.312 18.040 3.930 1.00 0.00 H ATOM 1000 H ASP A 379 5.395 16.020 6.209 1.00 0.00 H TER 1001 ASP A 379 HETATM 1002 ZN ZN A 1 -11.423 21.971 26.191 1.00 25.46 ZN HETATM 1003 ZN ZN A 2 -10.224 27.330 14.026 1.00 19.33 ZN HETATM 1004 ZN ZN A 3 -2.454 15.584 13.596 1.00 29.97 ZN HETATM 1005 ZN ZN A 4 -0.255 21.541 18.144 1.00 29.13 ZN HETATM 1006 O HOH 5 -19.170 30.796 12.519 1.00 26.65 O HETATM 1007 O HOH 6 -5.308 16.848 27.365 1.00 36.70 O HETATM 1008 O HOH 7 -9.108 19.530 18.910 1.00 23.46 O HETATM 1009 O HOH 8 1.317 12.109 5.146 1.00 49.38 O HETATM 1010 O HOH 9 -15.810 21.773 18.581 1.00 33.09 O HETATM 1011 O HOH 10 -4.942 30.343 7.225 1.00 29.19 O HETATM 1012 O HOH 11 -4.108 22.929 4.190 1.00 24.21 O HETATM 1013 O HOH 12 -17.030 22.172 22.219 1.00 36.18 O HETATM 1014 O HOH 13 -6.330 26.089 24.823 1.00 28.26 O HETATM 1015 O HOH 14 -10.657 31.972 18.503 1.00 27.86 O HETATM 1016 O HOH 15 2.732 12.969 1.888 1.00 57.30 O HETATM 1017 O HOH 16 -18.721 28.728 21.653 1.00 38.86 O HETATM 1018 O HOH 17 -3.573 15.139 4.385 1.00 34.04 O HETATM 1019 O HOH 18 -4.784 29.833 11.568 1.00 30.92 O HETATM 1020 O HOH 19 -10.027 12.949 8.772 1.00 32.65 O HETATM 1021 O HOH 20 -22.288 29.116 10.805 1.00 34.20 O HETATM 1022 O HOH 21 -20.841 24.301 18.101 1.00 37.51 O HETATM 1023 O HOH 22 -3.200 21.573 2.004 1.00 24.29 O HETATM 1024 O HOH 23 -7.157 31.126 12.563 1.00 24.98 O HETATM 1025 O HOH 24 -4.582 31.771 24.193 1.00 46.01 O HETATM 1026 O HOH 25 -15.335 30.892 18.493 1.00 25.97 O HETATM 1027 O HOH 26 -13.020 31.250 17.976 1.00 25.49 O HETATM 1028 O HOH 27 -20.689 30.417 22.016 1.00 39.58 O HETATM 1029 O HOH 28 -16.205 28.855 20.324 1.00 21.87 O HETATM 1030 O HOH 29 -21.653 26.600 14.665 1.00 30.43 O HETATM 1031 O HOH 30 -21.843 14.569 17.088 1.00 44.53 O HETATM 1032 N ALA A 31 -13.456 13.036 4.348 1.00 0.24 N HETATM 1033 CA ALA A 31 -12.757 13.104 5.634 1.00 0.06 C HETATM 1034 C ALA A 31 -13.704 13.260 6.818 1.00 0.23 C HETATM 1035 O ALA A 31 -14.839 13.719 6.679 1.00 -0.39 O HETATM 1036 N ALA A 31 -13.212 12.877 7.988 1.00 -0.26 N HETATM 1037 CA ALA A 31 -13.995 12.900 9.218 1.00 0.13 C HETATM 1038 C ALA A 31 -14.036 14.318 9.792 1.00 0.20 C HETATM 1039 O ALA A 31 -13.003 14.981 9.925 1.00 -0.39 O HETATM 1040 N ALA A 31 -15.235 14.788 10.109 1.00 -0.26 N HETATM 1041 CA ALA A 31 -15.387 16.071 10.779 1.00 0.16 C HETATM 1042 C ALA A 31 -15.759 15.891 12.255 1.00 0.21 C HETATM 1043 O ALA A 31 -16.105 14.791 12.696 1.00 -0.39 O HETATM 1044 N ALA A 31 -15.665 16.977 13.015 1.00 -0.26 N HETATM 1045 CA ALA A 31 -16.063 16.965 14.411 1.00 0.13 C HETATM 1046 CB ALA A 31 -15.755 18.270 15.152 1.00 -0.01 C HETATM 1047 CG ALA A 31 -16.069 18.309 16.631 1.00 -0.04 C HETATM 1048 CD ALA A 31 -15.336 17.324 17.532 1.00 -0.01 C HETATM 1049 CE ALA A 31 -15.328 17.659 19.021 1.00 -0.03 C HETATM 1050 NZ ALA A 31 -14.899 16.631 19.979 1.00 0.24 N HETATM 1051 CM1 ALA A 31 -13.540 16.224 19.654 1.00 -0.04 C HETATM 1052 H ALA A 31 -13.515 15.820 18.642 1.00 0.08 H HETATM 1053 H ALA A 31 -12.878 17.088 19.718 1.00 0.08 H HETATM 1054 H ALA A 31 -13.212 15.461 20.360 1.00 0.08 H HETATM 1055 CM2 ALA A 31 -16.020 15.758 20.212 1.00 -0.04 C HETATM 1056 H ALA A 31 -16.850 16.335 20.620 1.00 0.08 H HETATM 1057 H ALA A 31 -16.323 15.299 19.271 1.00 0.08 H HETATM 1058 H ALA A 31 -15.733 14.982 20.921 1.00 0.08 H HETATM 1059 CM3 ALA A 31 -14.705 17.202 21.314 1.00 -0.04 C HETATM 1060 H ALA A 31 -13.941 17.978 21.268 1.00 0.08 H HETATM 1061 H ALA A 31 -15.643 17.634 21.663 1.00 0.08 H HETATM 1062 H ALA A 31 -14.388 16.417 22.001 1.00 0.08 H HETATM 1063 H ALA A 31 -16.370 17.858 19.270 1.00 0.08 H HETATM 1064 H ALA A 31 -14.598 18.462 19.125 1.00 0.08 H HETATM 1065 H ALA A 31 -14.294 17.331 17.211 1.00 0.03 H HETATM 1066 H ALA A 31 -15.859 16.372 17.435 1.00 0.03 H HETATM 1067 H ALA A 31 -17.125 18.052 16.713 1.00 0.03 H HETATM 1068 H ALA A 31 -15.764 19.299 16.970 1.00 0.03 H HETATM 1069 H ALA A 31 -16.387 19.030 14.693 1.00 0.03 H HETATM 1070 H ALA A 31 -14.677 18.411 15.072 1.00 0.03 H HETATM 1071 C ALA A 31 -17.488 16.520 14.597 1.00 0.20 C HETATM 1072 O ALA A 31 -17.801 15.777 15.519 1.00 -0.39 O HETATM 1073 N ALA A 31 -18.357 16.978 13.702 1.00 -0.26 N HETATM 1074 CA ALA A 31 -19.771 16.632 13.762 1.00 0.13 C HETATM 1075 C ALA A 31 -19.990 15.127 13.561 1.00 0.20 C HETATM 1076 O ALA A 31 -21.021 14.584 13.960 1.00 -0.39 O HETATM 1077 N ALA A 31 -19.020 14.460 12.938 1.00 -0.27 N HETATM 1078 CA ALA A 31 -19.042 13.001 12.813 1.00 0.12 C HETATM 1079 C ALA A 31 -17.836 12.374 13.507 1.00 0.06 C HETATM 1080 O ALA A 31 -17.841 12.165 14.718 1.00 -0.57 O HETATM 1081 O ALA A 31 -16.820 12.066 12.828 1.00 -0.57 O HETATM 1082 CB ALA A 31 -19.065 12.547 11.337 1.00 0.09 C HETATM 1083 OG1 ALA A 31 -18.741 11.151 11.263 1.00 -0.39 O HETATM 1084 H ALA A 31 -17.866 11.007 11.630 1.00 0.21 H HETATM 1085 CG2 ALA A 31 -18.047 13.320 10.532 1.00 -0.04 C HETATM 1086 H ALA A 31 -18.279 14.384 10.580 1.00 0.03 H HETATM 1087 H ALA A 31 -17.052 13.145 10.942 1.00 0.03 H HETATM 1088 H ALA A 31 -18.077 12.987 9.495 1.00 0.03 H HETATM 1089 H ALA A 31 -20.061 12.729 10.933 1.00 0.06 H HETATM 1090 H ALA A 31 -19.959 12.663 13.295 1.00 0.08 H HETATM 1091 H ALA A 31 -18.240 14.980 12.537 1.00 0.19 H HETATM 1092 CB ALA A 31 -20.557 17.436 12.728 1.00 0.00 C HETATM 1093 CG ALA A 31 -22.053 17.297 12.884 1.00 0.04 C HETATM 1094 CD ALA A 31 -22.807 18.404 12.192 1.00 0.17 C HETATM 1095 OE1 ALA A 31 -23.174 18.285 11.021 1.00 -0.40 O HETATM 1096 NE2 ALA A 31 -23.039 19.501 12.913 1.00 -0.30 N HETATM 1097 H ALA A 31 -23.540 20.287 12.499 1.00 0.18 H HETATM 1098 H ALA A 31 -22.716 19.554 13.879 1.00 0.18 H HETATM 1099 H ALA A 31 -22.287 17.342 13.948 1.00 0.05 H HETATM 1100 H ALA A 31 -22.353 16.351 12.433 1.00 0.05 H HETATM 1101 H ALA A 31 -20.290 17.058 11.741 1.00 0.03 H HETATM 1102 H ALA A 31 -20.305 18.488 12.864 1.00 0.03 H HETATM 1103 H ALA A 31 -20.138 16.886 14.756 1.00 0.08 H HETATM 1104 H ALA A 31 -18.026 17.587 12.954 1.00 0.19 H HETATM 1105 H ALA A 31 -15.433 16.212 14.884 1.00 0.08 H HETATM 1106 H ALA A 31 -15.305 17.840 12.608 1.00 0.19 H HETATM 1107 CB ALA A 31 -16.451 16.929 10.103 1.00 0.09 C HETATM 1108 OG1 ALA A 31 -17.727 16.300 10.254 1.00 -0.39 O HETATM 1109 H ALA A 31 -18.400 16.837 9.829 1.00 0.21 H HETATM 1110 CG2 ALA A 31 -16.137 17.101 8.606 1.00 -0.03 C HETATM 1111 H ALA A 31 -15.167 17.585 8.493 1.00 0.03 H HETATM 1112 H ALA A 31 -16.114 16.123 8.126 1.00 0.03 H HETATM 1113 H ALA A 31 -16.908 17.716 8.143 1.00 0.03 H HETATM 1114 H ALA A 31 -16.462 17.913 10.571 1.00 0.06 H HETATM 1115 H ALA A 31 -14.423 16.574 10.711 1.00 0.08 H HETATM 1116 H ALA A 31 -16.065 14.241 9.879 1.00 0.19 H HETATM 1117 CB ALA A 31 -13.364 11.931 10.218 1.00 -0.01 C HETATM 1118 CG ALA A 31 -14.192 11.581 11.444 1.00 -0.02 C HETATM 1119 CD ALA A 31 -13.433 10.529 12.242 1.00 0.06 C HETATM 1120 NE ALA A 31 -11.999 10.666 11.978 1.00 -0.27 N HETATM 1121 CZ ALA A 31 -11.073 10.851 12.914 1.00 0.29 C HETATM 1122 NH1 ALA A 31 -11.421 10.899 14.195 1.00 -0.28 N HETATM 1123 H ALA A 31 -12.400 10.794 14.462 1.00 0.26 H HETATM 1124 H ALA A 31 -10.709 11.041 14.912 1.00 0.26 H HETATM 1125 NH2 ALA A 31 -9.795 10.976 12.565 1.00 -0.28 N HETATM 1126 H ALA A 31 -9.528 10.930 11.582 1.00 0.26 H HETATM 1127 H ALA A 31 -9.082 11.118 13.281 1.00 0.26 H HETATM 1128 H ALA A 31 -11.689 10.616 11.008 1.00 0.26 H HETATM 1129 H ALA A 31 -13.766 9.534 11.946 1.00 0.07 H HETATM 1130 H ALA A 31 -13.624 10.669 13.306 1.00 0.07 H HETATM 1131 H ALA A 31 -15.165 11.194 11.142 1.00 0.03 H HETATM 1132 H ALA A 31 -14.355 12.470 12.053 1.00 0.03 H HETATM 1133 H ALA A 31 -12.468 12.426 10.592 1.00 0.03 H HETATM 1134 H ALA A 31 -13.216 10.996 9.678 1.00 0.03 H HETATM 1135 H ALA A 31 -15.020 12.592 9.012 1.00 0.08 H HETATM 1136 H ALA A 31 -12.246 12.553 8.030 1.00 0.19 H HETATM 1137 CB ALA A 31 -11.725 14.223 5.632 1.00 -0.00 C HETATM 1138 H ALA A 31 -12.233 15.184 5.558 1.00 0.03 H HETATM 1139 H ALA A 31 -11.149 14.186 6.557 1.00 0.03 H HETATM 1140 H ALA A 31 -11.056 14.097 4.780 1.00 0.03 H HETATM 1141 H ALA A 31 -12.249 12.148 5.758 1.00 0.11 H HETATM 1142 H ALA A 31 -14.141 12.280 4.374 1.00 0.20 H HETATM 1143 H ALA A 31 -13.931 13.921 4.174 1.00 0.20 H HETATM 1144 H ALA A 31 -12.781 12.859 3.604 1.00 0.20 H CONECT 31 30 35 1002 CONECT 80 79 84 1002 CONECT 210 209 214 1002 CONECT 261 260 265 1002 CONECT 282 281 286 1003 CONECT 297 295 296 1005 CONECT 328 327 332 1003 CONECT 507 506 511 1004 CONECT 545 544 549 1004 CONECT 616 615 618 1003 CONECT 671 670 675 1003 CONECT 910 909 914 1004 CONECT 937 936 1005 CONECT 938 936 1005 CONECT 950 949 954 1004 CONECT 1002 31 80 210 261 CONECT 1003 282 328 616 671 CONECT 1004 507 545 910 950 CONECT 1005 297 937 938 CONECT 1032 1033 1142 1143 1144 CONECT 1033 1032 1034 1137 1141 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1136 CONECT 1037 1036 1038 1117 1135 CONECT 1038 1037 1039 1040 CONECT 1039 1038 CONECT 1040 1038 1041 1116 CONECT 1041 1040 1042 1107 1115 CONECT 1042 1041 1043 1044 CONECT 1043 1042 CONECT 1044 1042 1045 1106 CONECT 1045 1044 1046 1071 1105 CONECT 1046 1045 1047 1069 1070 CONECT 1047 1046 1048 1067 1068 CONECT 1048 1047 1049 1065 1066 CONECT 1049 1048 1050 1063 1064 CONECT 1050 1049 1051 1055 1059 CONECT 1051 1050 1052 1053 1054 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1051 CONECT 1055 1050 1056 1057 1058 CONECT 1056 1055 CONECT 1057 1055 CONECT 1058 1055 CONECT 1059 1050 1060 1061 1062 CONECT 1060 1059 CONECT 1061 1059 CONECT 1062 1059 CONECT 1063 1049 CONECT 1064 1049 CONECT 1065 1048 CONECT 1066 1048 CONECT 1067 1047 CONECT 1068 1047 CONECT 1069 1046 CONECT 1070 1046 CONECT 1071 1045 1072 1073 CONECT 1072 1071 CONECT 1073 1071 1074 1104 CONECT 1074 1073 1075 1092 1103 CONECT 1075 1074 1076 1077 CONECT 1076 1075 CONECT 1077 1075 1078 1091 CONECT 1078 1077 1079 1082 1090 CONECT 1079 1078 1080 1081 CONECT 1080 1079 CONECT 1081 1079 CONECT 1082 1078 1083 1085 1089 CONECT 1083 1082 1084 CONECT 1084 1083 CONECT 1085 1082 1086 1087 1088 CONECT 1086 1085 CONECT 1087 1085 CONECT 1088 1085 CONECT 1089 1082 CONECT 1090 1078 CONECT 1091 1077 CONECT 1092 1074 1093 1101 1102 CONECT 1093 1092 1094 1099 1100 CONECT 1094 1093 1095 1096 CONECT 1095 1094 CONECT 1096 1094 1097 1098 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1093 CONECT 1100 1093 CONECT 1101 1092 CONECT 1102 1092 CONECT 1103 1074 CONECT 1104 1073 CONECT 1105 1045 CONECT 1106 1044 CONECT 1107 1041 1108 1110 1114 CONECT 1108 1107 1109 CONECT 1109 1108 CONECT 1110 1107 1111 1112 1113 CONECT 1111 1110 CONECT 1112 1110 CONECT 1113 1110 CONECT 1114 1107 CONECT 1115 1041 CONECT 1116 1040 CONECT 1117 1037 1118 1133 1134 CONECT 1118 1117 1119 1131 1132 CONECT 1119 1118 1120 1129 1130 CONECT 1120 1119 1121 1128 CONECT 1121 1120 1122 1125 CONECT 1122 1121 1123 1124 CONECT 1123 1122 CONECT 1124 1122 CONECT 1125 1121 1126 1127 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1120 CONECT 1129 1119 CONECT 1130 1119 CONECT 1131 1118 CONECT 1132 1118 CONECT 1133 1117 CONECT 1134 1117 CONECT 1135 1037 CONECT 1136 1036 CONECT 1137 1033 1138 1139 1140 CONECT 1138 1137 CONECT 1139 1137 CONECT 1140 1137 CONECT 1141 1033 CONECT 1142 1032 CONECT 1143 1032 CONECT 1144 1032 MASTER 0 0 0 0 0 0 0 0 1143 1 132 6 END
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Structure:
Ligand 2D
Ligand 3D
Protein
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Related entries of code: 3sow
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3sou
RCSB PDB
PDBbind
70aa, >3SOU_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
3sou
RCSB PDB
PDBbind
9-mer
3sov
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
3sow
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
1.95(Å)
Affinity (Kd/Ki/IC50)
Kd=7.3uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Mol.Cell Vol. 43: pp. 275-284
Ligand Properties
Formula
C
3
1
H
6
2
N
1
1
O
1
0
Molecular Weight
748.892
Exact Mass
748.468
No. of atoms
114
No. of bonds
113
Polar Surface Area
360
LOGP Value
-4.11 (
Computed with XLOGP3
)
-3.78 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C31H59N11O10/c1-16(32)25(46)37-20(11-9-14-36-31(34)35)27(48)40-23(17(2)43)29(50)39-19(10-7-8-15-42(4,5)6)26(47)38-21(12-13-22(33)45)28(49)41-24(18(3)44)30(51)52/h16-21,23-24,43-44H,7-15,32H2,1-6H3,(H11-,33,34,35,36,37,38,39,40,41,45,46,47,48,49,50,51,52)/p+3/t16-,17+,18+,19-,20-,21-,23-,24-/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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