Browse entries in the PDBbind-CN Database
HEADER 3UW4_COMPLEX COMPND 3UW4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 MET GLN THR HIS ALA ALA ARG MET ARG THR PHE MET TYR SEQRES 2 A 87 TRP PRO SER SER VAL PRO VAL GLN PRO GLU GLN LEU ALA SEQRES 3 A 87 ALA ALA GLY PHE TYR TYR VAL GLY ARG ASN ASP ASP VAL SEQRES 4 A 87 LYS CYS PHE SER CYS ASP GLY GLY LEU ARG CYS TRP GLU SEQRES 5 A 87 SER GLY ASP ASP PRO TRP VAL GLU HIS ALA LYS TRP PHE SEQRES 6 A 87 PRO GLY CYS GLU PHE LEU ILE ARG MET LYS GLY GLN GLU SEQRES 7 A 87 TYR ILE ASN ASN ILE HIS LEU THR HIS HET ZN A 1 1 HET ZN A 2 1 HET MAA A 143 70 ATOM 1 N MET A 252 -2.184 8.483 -15.945 1.00 25.73 N ATOM 2 CA MET A 252 -2.735 8.452 -14.537 1.00 23.32 C ATOM 3 C MET A 252 -1.622 8.440 -13.497 1.00 21.83 C ATOM 4 O MET A 252 -1.824 8.016 -12.359 1.00 18.27 O ATOM 5 CB MET A 252 -3.655 7.231 -14.320 1.00 26.03 C ATOM 6 CG MET A 252 -4.957 7.258 -15.115 1.00 26.78 C ATOM 7 SD MET A 252 -5.968 8.669 -14.644 1.00 27.78 S ATOM 8 CE MET A 252 -6.598 9.221 -16.232 1.00 32.52 C ATOM 9 HA MET A 252 -3.320 9.363 -14.411 1.00 0.00 H ATOM 10 HB2 MET A 252 -3.103 6.336 -14.605 1.00 0.00 H ATOM 11 HB3 MET A 252 -3.906 7.180 -13.261 1.00 0.00 H ATOM 12 HG2 MET A 252 -5.512 6.340 -14.922 1.00 0.00 H ATOM 13 HG3 MET A 252 -4.725 7.324 -16.178 1.00 0.00 H ATOM 14 HE1 MET A 252 -5.763 9.490 -16.879 1.00 0.00 H ATOM 15 HE2 MET A 252 -7.173 8.417 -16.693 1.00 0.00 H ATOM 16 HE3 MET A 252 -7.239 10.090 -16.085 1.00 0.00 H ATOM 17 HN3 MET A 252 -1.595 7.641 -16.104 1.00 0.00 H ATOM 18 HN2 MET A 252 -1.607 9.339 -16.072 1.00 0.00 H ATOM 19 HN1 MET A 252 -2.972 8.490 -16.624 1.00 0.00 H ATOM 20 N GLN A 253 -0.443 8.922 -13.882 1.00 25.82 N ATOM 21 CA GLN A 253 0.708 8.872 -12.981 1.00 30.36 C ATOM 22 C GLN A 253 0.670 9.846 -11.800 1.00 25.75 C ATOM 23 O GLN A 253 1.316 9.607 -10.772 1.00 28.00 O ATOM 24 CB GLN A 253 2.008 9.011 -13.769 1.00 38.31 C ATOM 25 CG GLN A 253 2.481 7.675 -14.327 1.00 46.29 C ATOM 26 CD GLN A 253 3.794 7.782 -15.072 1.00 55.07 C ATOM 27 OE1 GLN A 253 4.827 7.295 -14.609 1.00 59.00 O ATOM 28 NE2 GLN A 253 3.763 8.428 -16.231 1.00 50.32 N ATOM 29 HA GLN A 253 0.657 7.888 -12.514 1.00 0.00 H ATOM 30 HB2 GLN A 253 1.846 9.701 -14.597 1.00 0.00 H ATOM 31 HB3 GLN A 253 2.779 9.410 -13.110 1.00 0.00 H ATOM 32 HG2 GLN A 253 2.606 6.976 -13.500 1.00 0.00 H ATOM 33 HG3 GLN A 253 1.722 7.295 -15.011 1.00 0.00 H ATOM 34 HE22 GLN A 253 2.867 8.823 -16.583 1.00 0.00 H ATOM 35 HE21 GLN A 253 4.634 8.539 -16.788 1.00 0.00 H ATOM 36 H GLN A 253 -0.339 9.337 -14.830 1.00 0.00 H ATOM 37 N THR A 254 -0.106 10.916 -11.932 1.00 25.82 N ATOM 38 CA THR A 254 -0.167 11.956 -10.900 1.00 26.17 C ATOM 39 C THR A 254 -1.482 11.954 -10.119 1.00 23.38 C ATOM 40 O THR A 254 -2.526 11.612 -10.663 1.00 21.92 O ATOM 41 CB THR A 254 0.018 13.354 -11.512 1.00 33.16 C ATOM 42 OG1 THR A 254 -1.076 13.641 -12.393 1.00 31.18 O ATOM 43 CG2 THR A 254 1.312 13.419 -12.289 1.00 31.76 C ATOM 44 HA THR A 254 0.646 11.724 -10.211 1.00 0.00 H ATOM 45 HB THR A 254 0.048 14.088 -10.707 1.00 0.00 H ATOM 46 HG1 THR A 254 -1.924 13.614 -11.884 1.00 0.00 H ATOM 47 HG23 THR A 254 2.146 13.201 -11.622 1.00 0.00 H ATOM 48 HG21 THR A 254 1.288 12.685 -13.094 1.00 0.00 H ATOM 49 HG22 THR A 254 1.432 14.418 -12.709 1.00 0.00 H ATOM 50 H THR A 254 -0.685 11.019 -12.790 1.00 0.00 H ATOM 51 N HIS A 255 -1.410 12.345 -8.845 1.00 23.30 N ATOM 52 CA HIS A 255 -2.596 12.512 -8.004 1.00 21.88 C ATOM 53 C HIS A 255 -3.617 13.385 -8.684 1.00 21.57 C ATOM 54 O HIS A 255 -4.804 13.037 -8.717 1.00 19.17 O ATOM 55 CB HIS A 255 -2.201 13.061 -6.635 1.00 21.80 C ATOM 56 CG HIS A 255 -3.355 13.217 -5.674 1.00 21.64 C ATOM 57 ND1 HIS A 255 -4.095 14.339 -5.606 1.00 26.56 N ATOM 58 CD2 HIS A 255 -3.845 12.366 -4.698 1.00 23.69 C ATOM 59 CE1 HIS A 255 -5.035 14.194 -4.659 1.00 25.19 C ATOM 60 NE2 HIS A 255 -4.878 12.988 -4.100 1.00 32.09 N ATOM 61 HA HIS A 255 -3.058 11.537 -7.851 1.00 0.00 H ATOM 62 HB2 HIS A 255 -1.475 12.381 -6.190 1.00 0.00 H ATOM 63 HB3 HIS A 255 -1.741 14.039 -6.778 1.00 0.00 H ATOM 64 HD2 HIS A 255 -3.464 11.373 -4.458 1.00 0.00 H ATOM 65 HE1 HIS A 255 -5.794 14.930 -4.392 1.00 0.00 H ATOM 66 H HIS A 255 -0.475 12.539 -8.434 1.00 0.00 H ATOM 67 N ALA A 256 -3.181 14.499 -9.277 1.00 22.99 N ATOM 68 CA ALA A 256 -4.113 15.413 -9.974 1.00 28.00 C ATOM 69 C ALA A 256 -4.890 14.764 -11.134 1.00 24.61 C ATOM 70 O ALA A 256 -6.112 14.914 -11.214 1.00 22.61 O ATOM 71 CB ALA A 256 -3.402 16.674 -10.446 1.00 32.85 C ATOM 72 HA ALA A 256 -4.860 15.679 -9.226 1.00 0.00 H ATOM 73 HB1 ALA A 256 -2.982 17.196 -9.586 1.00 0.00 H ATOM 74 HB2 ALA A 256 -2.602 16.402 -11.135 1.00 0.00 H ATOM 75 HB3 ALA A 256 -4.115 17.323 -10.954 1.00 0.00 H ATOM 76 H ALA A 256 -2.167 14.729 -9.249 1.00 0.00 H ATOM 77 N ALA A 257 -4.191 14.026 -12.000 1.00 22.62 N ATOM 78 CA ALA A 257 -4.830 13.319 -13.121 1.00 24.33 C ATOM 79 C ALA A 257 -5.843 12.254 -12.695 1.00 21.43 C ATOM 80 O ALA A 257 -6.921 12.123 -13.298 1.00 23.83 O ATOM 81 CB ALA A 257 -3.777 12.718 -14.042 1.00 24.01 C ATOM 82 HA ALA A 257 -5.404 14.073 -13.659 1.00 0.00 H ATOM 83 HB1 ALA A 257 -3.146 13.514 -14.438 1.00 0.00 H ATOM 84 HB2 ALA A 257 -3.165 12.012 -13.480 1.00 0.00 H ATOM 85 HB3 ALA A 257 -4.269 12.199 -14.865 1.00 0.00 H ATOM 86 H ALA A 257 -3.161 13.948 -11.878 1.00 0.00 H ATOM 87 N ARG A 258 -5.500 11.505 -11.651 1.00 17.69 N ATOM 88 CA ARG A 258 -6.404 10.513 -11.088 1.00 18.94 C ATOM 89 C ARG A 258 -7.655 11.179 -10.494 1.00 17.62 C ATOM 90 O ARG A 258 -8.763 10.675 -10.670 1.00 16.25 O ATOM 91 CB ARG A 258 -5.694 9.632 -10.056 1.00 13.78 C ATOM 92 CG ARG A 258 -4.502 8.893 -10.623 1.00 13.37 C ATOM 93 CD ARG A 258 -3.996 7.805 -9.711 1.00 14.47 C ATOM 94 NE ARG A 258 -3.339 8.279 -8.488 1.00 14.43 N ATOM 95 CZ ARG A 258 -2.063 8.677 -8.414 1.00 14.49 C ATOM 96 NH1 ARG A 258 -1.280 8.693 -9.496 1.00 15.80 N ATOM 97 NH2 ARG A 258 -1.564 9.053 -7.246 1.00 14.72 N ATOM 98 HA ARG A 258 -6.730 9.863 -11.900 1.00 0.00 H ATOM 99 HB2 ARG A 258 -5.352 10.264 -9.237 1.00 0.00 H ATOM 100 HB3 ARG A 258 -6.407 8.900 -9.676 1.00 0.00 H ATOM 101 HG2 ARG A 258 -4.791 8.444 -11.573 1.00 0.00 H ATOM 102 HG3 ARG A 258 -3.697 9.608 -10.791 1.00 0.00 H ATOM 103 HD2 ARG A 258 -3.279 7.202 -10.268 1.00 0.00 H ATOM 104 HD3 ARG A 258 -4.844 7.184 -9.421 1.00 0.00 H ATOM 105 HE ARG A 258 -3.905 8.308 -7.616 1.00 0.00 H ATOM 106 HH12 ARG A 258 -0.291 9.006 -9.418 1.00 0.00 H ATOM 107 HH11 ARG A 258 -1.659 8.393 -10.417 1.00 0.00 H ATOM 108 HH22 ARG A 258 -0.574 9.364 -7.179 1.00 0.00 H ATOM 109 HH21 ARG A 258 -2.162 9.038 -6.396 1.00 0.00 H ATOM 110 H ARG A 258 -4.560 11.632 -11.225 1.00 0.00 H ATOM 111 N MET A 259 -7.484 12.320 -9.818 1.00 16.26 N ATOM 112 CA MET A 259 -8.640 13.065 -9.295 1.00 19.88 C ATOM 113 C MET A 259 -9.662 13.429 -10.367 1.00 22.58 C ATOM 114 O MET A 259 -10.870 13.356 -10.122 1.00 20.85 O ATOM 115 CB MET A 259 -8.208 14.322 -8.532 1.00 21.33 C ATOM 116 CG MET A 259 -7.727 14.039 -7.111 1.00 20.23 C ATOM 117 SD MET A 259 -8.924 13.224 -6.040 1.00 19.82 S ATOM 118 CE MET A 259 -10.227 14.458 -5.990 1.00 21.32 C ATOM 119 HA MET A 259 -9.131 12.382 -8.602 1.00 0.00 H ATOM 120 HB2 MET A 259 -7.396 14.798 -9.083 1.00 0.00 H ATOM 121 HB3 MET A 259 -9.058 15.003 -8.479 1.00 0.00 H ATOM 122 HG2 MET A 259 -7.456 14.990 -6.651 1.00 0.00 H ATOM 123 HG3 MET A 259 -6.844 13.403 -7.175 1.00 0.00 H ATOM 124 HE1 MET A 259 -9.831 15.386 -5.577 1.00 0.00 H ATOM 125 HE2 MET A 259 -10.595 14.637 -7.000 1.00 0.00 H ATOM 126 HE3 MET A 259 -11.043 14.098 -5.363 1.00 0.00 H ATOM 127 H MET A 259 -6.523 12.685 -9.660 1.00 0.00 H ATOM 128 N ARG A 260 -9.188 13.808 -11.551 1.00 18.96 N ATOM 129 CA ARG A 260 -10.082 14.196 -12.639 1.00 22.96 C ATOM 130 C ARG A 260 -11.097 13.111 -13.023 1.00 28.38 C ATOM 131 O ARG A 260 -12.191 13.434 -13.489 1.00 29.12 O ATOM 132 CB ARG A 260 -9.311 14.604 -13.885 1.00 24.99 C ATOM 133 CG ARG A 260 -8.606 15.943 -13.785 1.00 30.97 C ATOM 134 CD ARG A 260 -8.177 16.409 -15.164 1.00 34.12 C ATOM 135 NE ARG A 260 -6.937 17.175 -15.099 1.00 47.05 N ATOM 136 CZ ARG A 260 -5.726 16.687 -15.370 1.00 61.91 C ATOM 137 NH1 ARG A 260 -5.568 15.419 -15.740 1.00 55.17 N ATOM 138 NH2 ARG A 260 -4.663 17.476 -15.278 1.00 62.75 N ATOM 139 HA ARG A 260 -10.636 15.049 -12.246 1.00 0.00 H ATOM 140 HB2 ARG A 260 -8.561 13.839 -14.086 1.00 0.00 H ATOM 141 HB3 ARG A 260 -10.012 14.651 -14.718 1.00 0.00 H ATOM 142 HG2 ARG A 260 -9.285 16.677 -13.351 1.00 0.00 H ATOM 143 HG3 ARG A 260 -7.727 15.842 -13.148 1.00 0.00 H ATOM 144 HD2 ARG A 260 -8.961 17.036 -15.588 1.00 0.00 H ATOM 145 HD3 ARG A 260 -8.025 15.539 -15.803 1.00 0.00 H ATOM 146 HE ARG A 260 -7.002 18.175 -14.821 1.00 0.00 H ATOM 147 HH12 ARG A 260 -4.617 15.053 -15.948 1.00 0.00 H ATOM 148 HH11 ARG A 260 -6.395 14.794 -15.821 1.00 0.00 H ATOM 149 HH22 ARG A 260 -3.716 17.100 -15.488 1.00 0.00 H ATOM 150 HH21 ARG A 260 -4.776 18.470 -14.996 1.00 0.00 H ATOM 151 H ARG A 260 -8.160 13.828 -11.705 1.00 0.00 H ATOM 152 N THR A 261 -10.731 11.840 -12.841 1.00 18.37 N ATOM 153 CA THR A 261 -11.622 10.720 -13.163 1.00 17.33 C ATOM 154 C THR A 261 -12.775 10.582 -12.181 1.00 16.49 C ATOM 155 O THR A 261 -13.728 9.899 -12.490 1.00 17.10 O ATOM 156 CB THR A 261 -10.893 9.334 -13.193 1.00 14.87 C ATOM 157 OG1 THR A 261 -10.459 8.982 -11.873 1.00 14.01 O ATOM 158 CG2 THR A 261 -9.704 9.360 -14.117 1.00 15.98 C ATOM 159 HA THR A 261 -11.992 10.969 -14.158 1.00 0.00 H ATOM 160 HB THR A 261 -11.601 8.592 -13.562 1.00 0.00 H ATOM 161 HG1 THR A 261 -9.834 9.673 -11.537 1.00 0.00 H ATOM 162 HG23 THR A 261 -10.032 9.628 -15.122 1.00 0.00 H ATOM 163 HG21 THR A 261 -8.984 10.097 -13.760 1.00 0.00 H ATOM 164 HG22 THR A 261 -9.238 8.375 -14.136 1.00 0.00 H ATOM 165 H THR A 261 -9.785 11.638 -12.459 1.00 0.00 H ATOM 166 N PHE A 262 -12.662 11.199 -10.999 1.00 17.94 N ATOM 167 CA PHE A 262 -13.595 10.955 -9.906 1.00 16.86 C ATOM 168 C PHE A 262 -14.741 11.963 -9.857 1.00 21.33 C ATOM 169 O PHE A 262 -15.516 11.970 -8.901 1.00 20.74 O ATOM 170 CB PHE A 262 -12.863 10.969 -8.556 1.00 16.12 C ATOM 171 CG PHE A 262 -12.168 9.689 -8.236 1.00 15.67 C ATOM 172 CD1 PHE A 262 -12.893 8.557 -7.903 1.00 12.85 C ATOM 173 CD2 PHE A 262 -10.762 9.599 -8.289 1.00 14.01 C ATOM 174 CE1 PHE A 262 -12.254 7.352 -7.616 1.00 10.80 C ATOM 175 CE2 PHE A 262 -10.131 8.396 -8.023 1.00 10.34 C ATOM 176 CZ PHE A 262 -10.867 7.279 -7.665 1.00 12.11 C ATOM 177 HA PHE A 262 -14.025 9.972 -10.096 1.00 0.00 H ATOM 178 HB2 PHE A 262 -12.122 11.768 -8.575 1.00 0.00 H ATOM 179 HB3 PHE A 262 -13.592 11.170 -7.771 1.00 0.00 H ATOM 180 HD2 PHE A 262 -10.170 10.479 -8.540 1.00 0.00 H ATOM 181 HE2 PHE A 262 -9.046 8.327 -8.096 1.00 0.00 H ATOM 182 HZ PHE A 262 -10.360 6.345 -7.422 1.00 0.00 H ATOM 183 HE1 PHE A 262 -12.840 6.471 -7.354 1.00 0.00 H ATOM 184 HD1 PHE A 262 -13.981 8.609 -7.865 1.00 0.00 H ATOM 185 H PHE A 262 -11.884 11.874 -10.856 1.00 0.00 H ATOM 186 N MET A 263 -14.867 12.806 -10.876 1.00 20.76 N ATOM 187 CA MET A 263 -15.911 13.840 -10.842 1.00 23.94 C ATOM 188 C MET A 263 -17.331 13.297 -10.637 1.00 24.25 C ATOM 189 O MET A 263 -18.124 13.912 -9.908 1.00 23.33 O ATOM 190 CB MET A 263 -15.848 14.731 -12.079 1.00 24.95 C ATOM 191 CG MET A 263 -14.582 15.561 -12.151 1.00 29.93 C ATOM 192 SD MET A 263 -14.656 16.746 -13.506 1.00 43.70 S ATOM 193 CE MET A 263 -12.909 17.098 -13.725 1.00 43.53 C ATOM 194 HA MET A 263 -15.691 14.438 -9.958 1.00 0.00 H ATOM 195 HB2 MET A 263 -15.899 14.099 -12.965 1.00 0.00 H ATOM 196 HB3 MET A 263 -16.705 15.405 -12.065 1.00 0.00 H ATOM 197 HG2 MET A 263 -13.730 14.898 -12.304 1.00 0.00 H ATOM 198 HG3 MET A 263 -14.457 16.101 -11.212 1.00 0.00 H ATOM 199 HE1 MET A 263 -12.504 17.511 -12.801 1.00 0.00 H ATOM 200 HE2 MET A 263 -12.382 16.177 -13.974 1.00 0.00 H ATOM 201 HE3 MET A 263 -12.783 17.820 -14.532 1.00 0.00 H ATOM 202 H MET A 263 -14.229 12.735 -11.695 1.00 0.00 H ATOM 203 N TYR A 264 -17.626 12.150 -11.262 1.00 19.22 N ATOM 204 CA TYR A 264 -18.920 11.472 -11.135 1.00 19.35 C ATOM 205 C TYR A 264 -18.901 10.190 -10.279 1.00 16.78 C ATOM 206 O TYR A 264 -19.729 9.295 -10.429 1.00 20.30 O ATOM 207 CB TYR A 264 -19.545 11.252 -12.511 1.00 22.34 C ATOM 208 CG TYR A 264 -19.871 12.580 -13.136 1.00 23.68 C ATOM 209 CD1 TYR A 264 -21.120 13.192 -12.922 1.00 24.10 C ATOM 210 CD2 TYR A 264 -18.913 13.265 -13.881 1.00 19.94 C ATOM 211 CE1 TYR A 264 -21.412 14.443 -13.460 1.00 22.59 C ATOM 212 CE2 TYR A 264 -19.192 14.518 -14.416 1.00 25.56 C ATOM 213 CZ TYR A 264 -20.438 15.102 -14.212 1.00 28.94 C ATOM 214 OH TYR A 264 -20.696 16.348 -14.762 1.00 29.01 O ATOM 215 HA TYR A 264 -19.559 12.147 -10.566 1.00 0.00 H ATOM 216 HB3 TYR A 264 -20.458 10.667 -12.405 1.00 0.00 H ATOM 217 HB2 TYR A 264 -18.842 10.714 -13.147 1.00 0.00 H ATOM 218 HD2 TYR A 264 -17.935 12.814 -14.046 1.00 0.00 H ATOM 219 HE2 TYR A 264 -18.433 15.043 -14.996 1.00 0.00 H ATOM 220 HE1 TYR A 264 -22.387 14.901 -13.296 1.00 0.00 H ATOM 221 HD1 TYR A 264 -21.873 12.678 -12.324 1.00 0.00 H ATOM 222 HH TYR A 264 -21.618 16.626 -14.530 1.00 0.00 H ATOM 223 H TYR A 264 -16.900 11.718 -11.869 1.00 0.00 H ATOM 224 N TRP A 265 -17.961 10.136 -9.352 1.00 15.57 N ATOM 225 CA TRP A 265 -17.960 9.114 -8.308 1.00 14.37 C ATOM 226 C TRP A 265 -19.277 9.166 -7.587 1.00 15.89 C ATOM 227 O TRP A 265 -19.761 10.255 -7.229 1.00 17.81 O ATOM 228 CB TRP A 265 -16.808 9.379 -7.353 1.00 13.39 C ATOM 229 CG TRP A 265 -16.581 8.327 -6.294 1.00 11.41 C ATOM 230 CD1 TRP A 265 -16.767 8.443 -4.920 1.00 12.49 C ATOM 231 CD2 TRP A 265 -16.067 6.981 -6.496 1.00 11.18 C ATOM 232 NE1 TRP A 265 -16.392 7.291 -4.278 1.00 13.19 N ATOM 233 CE2 TRP A 265 -15.978 6.371 -5.162 1.00 14.06 C ATOM 234 CE3 TRP A 265 -15.702 6.234 -7.607 1.00 12.36 C ATOM 235 CZ2 TRP A 265 -15.531 5.072 -4.973 1.00 12.63 C ATOM 236 CZ3 TRP A 265 -15.236 4.928 -7.405 1.00 13.90 C ATOM 237 CH2 TRP A 265 -15.173 4.356 -6.119 1.00 13.35 C ATOM 238 HA TRP A 265 -17.830 8.121 -8.738 1.00 0.00 H ATOM 239 HB2 TRP A 265 -15.896 9.463 -7.943 1.00 0.00 H ATOM 240 HB3 TRP A 265 -17.001 10.326 -6.849 1.00 0.00 H ATOM 241 HE1 TRP A 265 -16.424 7.150 -3.248 1.00 0.00 H ATOM 242 HD1 TRP A 265 -17.158 9.330 -4.421 1.00 0.00 H ATOM 243 HZ2 TRP A 265 -15.462 4.631 -3.979 1.00 0.00 H ATOM 244 HH2 TRP A 265 -14.835 3.325 -6.015 1.00 0.00 H ATOM 245 HZ3 TRP A 265 -14.914 4.340 -8.264 1.00 0.00 H ATOM 246 HE3 TRP A 265 -15.776 6.652 -8.611 1.00 0.00 H ATOM 247 H TRP A 265 -17.198 10.843 -9.366 1.00 0.00 H ATOM 248 N PRO A 266 -19.900 7.998 -7.388 1.00 15.69 N ATOM 249 CA PRO A 266 -21.216 7.944 -6.748 1.00 17.75 C ATOM 250 C PRO A 266 -21.211 8.521 -5.333 1.00 17.79 C ATOM 251 O PRO A 266 -20.285 8.278 -4.551 1.00 20.56 O ATOM 252 CB PRO A 266 -21.533 6.458 -6.724 1.00 19.47 C ATOM 253 CG PRO A 266 -20.800 5.917 -7.919 1.00 21.52 C ATOM 254 CD PRO A 266 -19.509 6.689 -7.956 1.00 16.22 C ATOM 255 HA PRO A 266 -21.953 8.542 -7.284 1.00 0.00 H ATOM 256 HD3 PRO A 266 -18.745 6.208 -7.346 1.00 0.00 H ATOM 257 HD2 PRO A 266 -19.143 6.796 -8.977 1.00 0.00 H ATOM 258 HG3 PRO A 266 -21.374 6.083 -8.830 1.00 0.00 H ATOM 259 HG2 PRO A 266 -20.607 4.851 -7.802 1.00 0.00 H ATOM 260 HB2 PRO A 266 -21.171 5.998 -5.805 1.00 0.00 H ATOM 261 HB3 PRO A 266 -22.606 6.288 -6.816 1.00 0.00 H ATOM 262 N SER A 267 -22.248 9.295 -5.044 1.00 19.93 N ATOM 263 CA SER A 267 -22.366 10.011 -3.784 1.00 19.80 C ATOM 264 C SER A 267 -22.546 9.115 -2.574 1.00 20.91 C ATOM 265 O SER A 267 -22.175 9.495 -1.466 1.00 18.85 O ATOM 266 CB SER A 267 -23.525 10.994 -3.862 1.00 21.05 C ATOM 267 OG SER A 267 -23.202 12.055 -4.754 1.00 24.07 O ATOM 268 HA SER A 267 -21.418 10.530 -3.642 1.00 0.00 H ATOM 269 HB2 SER A 267 -23.720 11.402 -2.870 1.00 0.00 H ATOM 270 HB3 SER A 267 -24.414 10.477 -4.222 1.00 0.00 H ATOM 271 HG SER A 267 -22.395 12.526 -4.426 1.00 0.00 H ATOM 272 H SER A 267 -23.008 9.394 -5.747 1.00 0.00 H ATOM 273 N SER A 268 -23.122 7.935 -2.780 1.00 16.27 N ATOM 274 CA SER A 268 -23.427 7.051 -1.662 1.00 19.78 C ATOM 275 C SER A 268 -22.256 6.200 -1.190 1.00 18.07 C ATOM 276 O SER A 268 -22.375 5.533 -0.170 1.00 19.49 O ATOM 277 CB SER A 268 -24.604 6.134 -2.003 1.00 25.55 C ATOM 278 OG SER A 268 -24.347 5.458 -3.221 1.00 24.21 O ATOM 279 HA SER A 268 -23.680 7.719 -0.839 1.00 0.00 H ATOM 280 HB2 SER A 268 -25.511 6.730 -2.104 1.00 0.00 H ATOM 281 HB3 SER A 268 -24.738 5.404 -1.205 1.00 0.00 H ATOM 282 HG SER A 268 -24.227 6.121 -3.946 1.00 0.00 H ATOM 283 H SER A 268 -23.357 7.639 -3.749 1.00 0.00 H ATOM 284 N VAL A 269 -21.142 6.200 -1.918 1.00 16.67 N ATOM 285 CA VAL A 269 -20.020 5.311 -1.565 1.00 17.46 C ATOM 286 C VAL A 269 -19.307 5.873 -0.329 1.00 18.65 C ATOM 287 O VAL A 269 -18.979 7.056 -0.296 1.00 18.10 O ATOM 288 CB VAL A 269 -19.037 5.133 -2.735 1.00 19.78 C ATOM 289 CG1 VAL A 269 -18.002 4.069 -2.408 1.00 17.04 C ATOM 290 CG2 VAL A 269 -19.785 4.738 -4.001 1.00 22.34 C ATOM 291 HA VAL A 269 -20.417 4.321 -1.340 1.00 0.00 H ATOM 292 HB VAL A 269 -18.530 6.084 -2.898 1.00 0.00 H ATOM 293 HG11 VAL A 269 -17.444 4.367 -1.520 1.00 0.00 H ATOM 294 HG12 VAL A 269 -18.505 3.120 -2.221 1.00 0.00 H ATOM 295 HG13 VAL A 269 -17.317 3.960 -3.249 1.00 0.00 H ATOM 296 HG21 VAL A 269 -20.311 3.798 -3.832 1.00 0.00 H ATOM 297 HG22 VAL A 269 -20.503 5.517 -4.255 1.00 0.00 H ATOM 298 HG23 VAL A 269 -19.074 4.616 -4.818 1.00 0.00 H ATOM 299 H VAL A 269 -21.062 6.831 -2.741 1.00 0.00 H ATOM 300 N PRO A 270 -19.066 5.037 0.697 1.00 18.80 N ATOM 301 CA PRO A 270 -18.515 5.608 1.942 1.00 21.11 C ATOM 302 C PRO A 270 -17.005 5.898 1.895 1.00 23.85 C ATOM 303 O PRO A 270 -16.439 6.363 2.877 1.00 32.30 O ATOM 304 CB PRO A 270 -18.822 4.535 2.997 1.00 22.90 C ATOM 305 CG PRO A 270 -19.566 3.448 2.293 1.00 24.78 C ATOM 306 CD PRO A 270 -19.347 3.601 0.829 1.00 18.38 C ATOM 307 HA PRO A 270 -18.959 6.583 2.145 1.00 0.00 H ATOM 308 HD3 PRO A 270 -18.501 3.001 0.492 1.00 0.00 H ATOM 309 HD2 PRO A 270 -20.237 3.320 0.266 1.00 0.00 H ATOM 310 HG3 PRO A 270 -20.630 3.525 2.516 1.00 0.00 H ATOM 311 HG2 PRO A 270 -19.197 2.476 2.621 1.00 0.00 H ATOM 312 HB2 PRO A 270 -17.896 4.145 3.419 1.00 0.00 H ATOM 313 HB3 PRO A 270 -19.434 4.955 3.795 1.00 0.00 H ATOM 314 N VAL A 271 -16.372 5.608 0.761 1.00 16.49 N ATOM 315 CA VAL A 271 -14.978 5.945 0.519 1.00 16.15 C ATOM 316 C VAL A 271 -14.947 6.927 -0.650 1.00 16.09 C ATOM 317 O VAL A 271 -15.706 6.764 -1.616 1.00 13.70 O ATOM 318 CB VAL A 271 -14.170 4.670 0.232 1.00 18.20 C ATOM 319 CG1 VAL A 271 -12.725 5.001 -0.022 1.00 21.23 C ATOM 320 CG2 VAL A 271 -14.243 3.738 1.438 1.00 20.62 C ATOM 321 HA VAL A 271 -14.520 6.410 1.392 1.00 0.00 H ATOM 322 HB VAL A 271 -14.593 4.190 -0.651 1.00 0.00 H ATOM 323 HG11 VAL A 271 -12.652 5.666 -0.883 1.00 0.00 H ATOM 324 HG12 VAL A 271 -12.307 5.493 0.856 1.00 0.00 H ATOM 325 HG13 VAL A 271 -12.173 4.083 -0.223 1.00 0.00 H ATOM 326 HG21 VAL A 271 -13.829 4.242 2.311 1.00 0.00 H ATOM 327 HG22 VAL A 271 -15.283 3.474 1.629 1.00 0.00 H ATOM 328 HG23 VAL A 271 -13.669 2.834 1.232 1.00 0.00 H ATOM 329 H VAL A 271 -16.900 5.117 0.011 1.00 0.00 H ATOM 330 N GLN A 272 -14.114 7.966 -0.566 1.00 15.58 N ATOM 331 CA GLN A 272 -14.210 9.055 -1.562 1.00 15.92 C ATOM 332 C GLN A 272 -12.881 9.390 -2.284 1.00 14.96 C ATOM 333 O GLN A 272 -11.835 8.852 -1.944 1.00 16.25 O ATOM 334 CB GLN A 272 -14.913 10.277 -0.943 1.00 16.27 C ATOM 335 CG GLN A 272 -16.404 10.059 -0.600 1.00 19.45 C ATOM 336 CD GLN A 272 -17.364 10.060 -1.802 1.00 21.06 C ATOM 337 OE1 GLN A 272 -18.295 9.247 -1.865 1.00 24.51 O ATOM 338 NE2 GLN A 272 -17.169 10.988 -2.734 1.00 17.50 N ATOM 339 HA GLN A 272 -14.834 8.689 -2.377 1.00 0.00 H ATOM 340 HB2 GLN A 272 -14.388 10.542 -0.025 1.00 0.00 H ATOM 341 HB3 GLN A 272 -14.844 11.103 -1.651 1.00 0.00 H ATOM 342 HG2 GLN A 272 -16.496 9.097 -0.096 1.00 0.00 H ATOM 343 HG3 GLN A 272 -16.713 10.854 0.078 1.00 0.00 H ATOM 344 HE22 GLN A 272 -16.375 11.654 -2.646 1.00 0.00 H ATOM 345 HE21 GLN A 272 -17.810 11.048 -3.551 1.00 0.00 H ATOM 346 H GLN A 272 -13.404 8.010 0.193 1.00 0.00 H ATOM 347 N PRO A 273 -12.939 10.236 -3.322 1.00 18.84 N ATOM 348 CA PRO A 273 -11.832 10.395 -4.287 1.00 21.67 C ATOM 349 C PRO A 273 -10.457 10.782 -3.731 1.00 17.61 C ATOM 350 O PRO A 273 -9.435 10.263 -4.205 1.00 14.02 O ATOM 351 CB PRO A 273 -12.346 11.494 -5.203 1.00 17.91 C ATOM 352 CG PRO A 273 -13.830 11.257 -5.219 1.00 15.59 C ATOM 353 CD PRO A 273 -14.159 10.919 -3.794 1.00 15.51 C ATOM 354 HA PRO A 273 -11.620 9.430 -4.747 1.00 0.00 H ATOM 355 HD3 PRO A 273 -14.353 11.820 -3.212 1.00 0.00 H ATOM 356 HD2 PRO A 273 -15.024 10.258 -3.738 1.00 0.00 H ATOM 357 HG3 PRO A 273 -14.084 10.430 -5.882 1.00 0.00 H ATOM 358 HG2 PRO A 273 -14.362 12.153 -5.538 1.00 0.00 H ATOM 359 HB2 PRO A 273 -12.111 12.480 -4.802 1.00 0.00 H ATOM 360 HB3 PRO A 273 -11.923 11.400 -6.203 1.00 0.00 H ATOM 361 N GLU A 274 -10.408 11.677 -2.752 1.00 20.32 N ATOM 362 CA GLU A 274 -9.101 12.161 -2.291 1.00 23.38 C ATOM 363 C GLU A 274 -8.220 11.028 -1.758 1.00 18.56 C ATOM 364 O GLU A 274 -7.022 10.951 -2.086 1.00 16.65 O ATOM 365 CB GLU A 274 -9.255 13.264 -1.249 1.00 26.38 C ATOM 366 CG GLU A 274 -8.100 14.243 -1.196 1.00 42.02 C ATOM 367 CD GLU A 274 -7.886 14.999 -2.498 1.00 42.62 C ATOM 368 OE1 GLU A 274 -8.876 15.365 -3.163 1.00 50.90 O ATOM 369 OE2 GLU A 274 -6.719 15.232 -2.859 1.00 39.79 O ATOM 370 HA GLU A 274 -8.597 12.581 -3.161 1.00 0.00 H ATOM 371 HB2 GLU A 274 -10.164 13.821 -1.474 1.00 0.00 H ATOM 372 HB3 GLU A 274 -9.351 12.796 -0.269 1.00 0.00 H ATOM 373 HG2 GLU A 274 -8.297 14.967 -0.405 1.00 0.00 H ATOM 374 HG3 GLU A 274 -7.189 13.691 -0.964 1.00 0.00 H ATOM 375 H GLU A 274 -11.284 12.031 -2.317 1.00 0.00 H ATOM 376 N GLN A 275 -8.816 10.159 -0.948 1.00 17.36 N ATOM 377 CA GLN A 275 -8.110 9.006 -0.406 1.00 17.76 C ATOM 378 C GLN A 275 -7.826 7.979 -1.488 1.00 15.37 C ATOM 379 O GLN A 275 -6.750 7.387 -1.503 1.00 16.50 O ATOM 380 CB GLN A 275 -8.875 8.382 0.757 1.00 21.31 C ATOM 381 CG GLN A 275 -8.879 9.291 1.979 1.00 27.71 C ATOM 382 CD GLN A 275 -9.347 8.593 3.236 1.00 31.81 C ATOM 383 OE1 GLN A 275 -8.882 8.888 4.347 1.00 46.64 O ATOM 384 NE2 GLN A 275 -10.272 7.671 3.075 1.00 29.25 N ATOM 385 HA GLN A 275 -7.153 9.358 -0.020 1.00 0.00 H ATOM 386 HB2 GLN A 275 -9.904 8.201 0.447 1.00 0.00 H ATOM 387 HB3 GLN A 275 -8.405 7.435 1.022 1.00 0.00 H ATOM 388 HG2 GLN A 275 -7.866 9.658 2.142 1.00 0.00 H ATOM 389 HG3 GLN A 275 -9.542 10.134 1.783 1.00 0.00 H ATOM 390 HE22 GLN A 275 -10.633 7.457 2.123 1.00 0.00 H ATOM 391 HE21 GLN A 275 -10.642 7.156 3.899 1.00 0.00 H ATOM 392 H GLN A 275 -9.814 10.306 -0.694 1.00 0.00 H ATOM 393 N LEU A 276 -8.786 7.776 -2.389 1.00 12.54 N ATOM 394 CA LEU A 276 -8.588 6.810 -3.459 1.00 12.20 C ATOM 395 C LEU A 276 -7.459 7.230 -4.384 1.00 12.12 C ATOM 396 O LEU A 276 -6.566 6.423 -4.705 1.00 13.53 O ATOM 397 CB LEU A 276 -9.869 6.592 -4.252 1.00 12.06 C ATOM 398 CG LEU A 276 -10.938 5.809 -3.475 1.00 12.97 C ATOM 399 CD1 LEU A 276 -12.311 6.084 -4.065 1.00 17.15 C ATOM 400 CD2 LEU A 276 -10.596 4.316 -3.447 1.00 14.63 C ATOM 401 HA LEU A 276 -8.310 5.865 -2.991 1.00 0.00 H ATOM 402 HB2 LEU A 276 -10.280 7.565 -4.521 1.00 0.00 H ATOM 403 HB3 LEU A 276 -9.625 6.039 -5.159 1.00 0.00 H ATOM 404 HG LEU A 276 -10.956 6.145 -2.438 1.00 0.00 H ATOM 405 HD21 LEU A 276 -10.550 3.936 -4.468 1.00 0.00 H ATOM 406 HD22 LEU A 276 -9.630 4.175 -2.962 1.00 0.00 H ATOM 407 HD23 LEU A 276 -11.365 3.779 -2.892 1.00 0.00 H ATOM 408 HD11 LEU A 276 -12.526 7.150 -3.999 1.00 0.00 H ATOM 409 HD12 LEU A 276 -12.325 5.773 -5.110 1.00 0.00 H ATOM 410 HD13 LEU A 276 -13.063 5.525 -3.508 1.00 0.00 H ATOM 411 H LEU A 276 -9.677 8.308 -2.328 1.00 0.00 H ATOM 412 N ALA A 277 -7.487 8.486 -4.809 1.00 11.86 N ATOM 413 CA ALA A 277 -6.501 8.942 -5.789 1.00 12.16 C ATOM 414 C ALA A 277 -5.095 8.997 -5.152 1.00 12.71 C ATOM 415 O ALA A 277 -4.102 8.744 -5.823 1.00 12.55 O ATOM 416 CB ALA A 277 -6.889 10.292 -6.368 1.00 12.35 C ATOM 417 HA ALA A 277 -6.479 8.225 -6.610 1.00 0.00 H ATOM 418 HB1 ALA A 277 -7.858 10.210 -6.860 1.00 0.00 H ATOM 419 HB2 ALA A 277 -6.949 11.027 -5.565 1.00 0.00 H ATOM 420 HB3 ALA A 277 -6.137 10.605 -7.093 1.00 0.00 H ATOM 421 H ALA A 277 -8.207 9.144 -4.447 1.00 0.00 H ATOM 422 N ALA A 278 -5.027 9.322 -3.858 1.00 12.28 N ATOM 423 CA ALA A 278 -3.758 9.353 -3.141 1.00 14.71 C ATOM 424 C ALA A 278 -3.133 7.959 -3.142 1.00 13.98 C ATOM 425 O ALA A 278 -1.914 7.811 -3.280 1.00 16.14 O ATOM 426 CB ALA A 278 -3.953 9.849 -1.714 1.00 13.54 C ATOM 427 HA ALA A 278 -3.086 10.046 -3.647 1.00 0.00 H ATOM 428 HB1 ALA A 278 -4.370 10.856 -1.734 1.00 0.00 H ATOM 429 HB2 ALA A 278 -4.637 9.182 -1.189 1.00 0.00 H ATOM 430 HB3 ALA A 278 -2.991 9.863 -1.201 1.00 0.00 H ATOM 431 H ALA A 278 -5.902 9.559 -3.349 1.00 0.00 H ATOM 432 N ALA A 279 -3.982 6.940 -3.035 1.00 11.98 N ATOM 433 CA ALA A 279 -3.523 5.558 -2.963 1.00 10.68 C ATOM 434 C ALA A 279 -3.270 4.931 -4.328 1.00 12.31 C ATOM 435 O ALA A 279 -2.995 3.738 -4.400 1.00 12.94 O ATOM 436 CB ALA A 279 -4.488 4.717 -2.123 1.00 12.55 C ATOM 437 HA ALA A 279 -2.552 5.574 -2.468 1.00 0.00 H ATOM 438 HB1 ALA A 279 -4.541 5.127 -1.114 1.00 0.00 H ATOM 439 HB2 ALA A 279 -5.478 4.739 -2.578 1.00 0.00 H ATOM 440 HB3 ALA A 279 -4.129 3.689 -2.080 1.00 0.00 H ATOM 441 H ALA A 279 -5.003 7.135 -3.002 1.00 0.00 H ATOM 442 N GLY A 280 -3.327 5.743 -5.385 1.00 10.93 N ATOM 443 CA GLY A 280 -2.935 5.341 -6.751 1.00 11.36 C ATOM 444 C GLY A 280 -4.083 4.926 -7.649 1.00 11.76 C ATOM 445 O GLY A 280 -3.861 4.527 -8.799 1.00 13.42 O ATOM 446 HA3 GLY A 280 -2.246 4.500 -6.672 1.00 0.00 H ATOM 447 HA2 GLY A 280 -2.426 6.184 -7.219 1.00 0.00 H ATOM 448 H GLY A 280 -3.667 6.715 -5.239 1.00 0.00 H ATOM 449 N PHE A 281 -5.309 5.050 -7.130 1.00 11.72 N ATOM 450 CA PHE A 281 -6.514 4.587 -7.829 1.00 10.74 C ATOM 451 C PHE A 281 -7.132 5.668 -8.683 1.00 13.35 C ATOM 452 O PHE A 281 -7.098 6.865 -8.343 1.00 12.99 O ATOM 453 CB PHE A 281 -7.555 4.004 -6.843 1.00 11.63 C ATOM 454 CG PHE A 281 -7.060 2.810 -6.073 1.00 10.34 C ATOM 455 CD1 PHE A 281 -6.827 1.601 -6.722 1.00 12.52 C ATOM 456 CD2 PHE A 281 -6.818 2.892 -4.702 1.00 11.99 C ATOM 457 CE1 PHE A 281 -6.364 0.501 -6.024 1.00 13.08 C ATOM 458 CE2 PHE A 281 -6.360 1.792 -3.989 1.00 9.50 C ATOM 459 CZ PHE A 281 -6.121 0.593 -4.654 1.00 11.51 C ATOM 460 HA PHE A 281 -6.195 3.787 -8.498 1.00 0.00 H ATOM 461 HB2 PHE A 281 -7.829 4.783 -6.131 1.00 0.00 H ATOM 462 HB3 PHE A 281 -8.437 3.706 -7.410 1.00 0.00 H ATOM 463 HD2 PHE A 281 -6.991 3.834 -4.182 1.00 0.00 H ATOM 464 HE2 PHE A 281 -6.189 1.867 -2.915 1.00 0.00 H ATOM 465 HZ PHE A 281 -5.745 -0.271 -4.106 1.00 0.00 H ATOM 466 HE1 PHE A 281 -6.189 -0.440 -6.546 1.00 0.00 H ATOM 467 HD1 PHE A 281 -7.012 1.520 -7.793 1.00 0.00 H ATOM 468 H PHE A 281 -5.413 5.492 -6.194 1.00 0.00 H ATOM 469 N TYR A 282 -7.693 5.238 -9.805 1.00 11.70 N ATOM 470 CA TYR A 282 -8.521 6.110 -10.620 1.00 14.19 C ATOM 471 C TYR A 282 -9.850 5.390 -10.927 1.00 13.76 C ATOM 472 O TYR A 282 -9.920 4.156 -10.887 1.00 12.00 O ATOM 473 CB TYR A 282 -7.799 6.532 -11.900 1.00 14.25 C ATOM 474 CG TYR A 282 -7.380 5.411 -12.822 1.00 17.12 C ATOM 475 CD1 TYR A 282 -6.181 4.730 -12.621 1.00 18.45 C ATOM 476 CD2 TYR A 282 -8.159 5.066 -13.934 1.00 17.65 C ATOM 477 CE1 TYR A 282 -5.775 3.707 -13.473 1.00 19.77 C ATOM 478 CE2 TYR A 282 -7.760 4.046 -14.790 1.00 21.17 C ATOM 479 CZ TYR A 282 -6.576 3.365 -14.546 1.00 22.21 C ATOM 480 OH TYR A 282 -6.170 2.358 -15.392 1.00 27.03 O ATOM 481 HA TYR A 282 -8.730 7.027 -10.069 1.00 0.00 H ATOM 482 HB3 TYR A 282 -6.902 7.081 -11.612 1.00 0.00 H ATOM 483 HB2 TYR A 282 -8.464 7.192 -12.457 1.00 0.00 H ATOM 484 HD2 TYR A 282 -9.087 5.603 -14.130 1.00 0.00 H ATOM 485 HE2 TYR A 282 -8.375 3.782 -15.650 1.00 0.00 H ATOM 486 HE1 TYR A 282 -4.836 3.182 -13.296 1.00 0.00 H ATOM 487 HD1 TYR A 282 -5.547 5.005 -11.778 1.00 0.00 H ATOM 488 HH TYR A 282 -5.311 1.985 -15.070 1.00 0.00 H ATOM 489 H TYR A 282 -7.537 4.255 -10.108 1.00 0.00 H ATOM 490 N TYR A 283 -10.880 6.167 -11.223 1.00 12.88 N ATOM 491 CA TYR A 283 -12.212 5.646 -11.502 1.00 14.03 C ATOM 492 C TYR A 283 -12.323 5.185 -12.953 1.00 13.71 C ATOM 493 O TYR A 283 -11.920 5.901 -13.869 1.00 17.55 O ATOM 494 CB TYR A 283 -13.243 6.735 -11.224 1.00 15.46 C ATOM 495 CG TYR A 283 -14.701 6.304 -11.236 1.00 14.31 C ATOM 496 CD1 TYR A 283 -15.094 5.026 -10.834 1.00 14.06 C ATOM 497 CD2 TYR A 283 -15.705 7.219 -11.595 1.00 17.79 C ATOM 498 CE1 TYR A 283 -16.439 4.665 -10.822 1.00 12.82 C ATOM 499 CE2 TYR A 283 -17.047 6.871 -11.583 1.00 15.27 C ATOM 500 CZ TYR A 283 -17.418 5.600 -11.183 1.00 15.18 C ATOM 501 OH TYR A 283 -18.771 5.258 -11.165 1.00 17.77 O ATOM 502 HA TYR A 283 -12.397 4.786 -10.858 1.00 0.00 H ATOM 503 HB3 TYR A 283 -13.120 7.510 -11.981 1.00 0.00 H ATOM 504 HB2 TYR A 283 -13.028 7.152 -10.240 1.00 0.00 H ATOM 505 HD2 TYR A 283 -15.421 8.229 -11.891 1.00 0.00 H ATOM 506 HE2 TYR A 283 -17.804 7.594 -11.887 1.00 0.00 H ATOM 507 HE1 TYR A 283 -16.730 3.655 -10.532 1.00 0.00 H ATOM 508 HD1 TYR A 283 -14.339 4.302 -10.526 1.00 0.00 H ATOM 509 HH TYR A 283 -18.870 4.322 -10.858 1.00 0.00 H ATOM 510 H TYR A 283 -10.732 7.196 -11.258 1.00 0.00 H ATOM 511 N VAL A 284 -12.853 3.976 -13.147 1.00 16.77 N ATOM 512 CA VAL A 284 -13.045 3.418 -14.494 1.00 19.55 C ATOM 513 C VAL A 284 -14.449 3.717 -15.050 1.00 20.68 C ATOM 514 O VAL A 284 -14.738 3.405 -16.203 1.00 26.87 O ATOM 515 CB VAL A 284 -12.683 1.907 -14.602 1.00 22.16 C ATOM 516 CG1 VAL A 284 -11.253 1.656 -14.147 1.00 25.16 C ATOM 517 CG2 VAL A 284 -13.642 1.016 -13.833 1.00 22.84 C ATOM 518 HA VAL A 284 -12.327 3.937 -15.129 1.00 0.00 H ATOM 519 HB VAL A 284 -12.774 1.644 -15.656 1.00 0.00 H ATOM 520 HG11 VAL A 284 -10.568 2.226 -14.774 1.00 0.00 H ATOM 521 HG12 VAL A 284 -11.143 1.969 -13.109 1.00 0.00 H ATOM 522 HG13 VAL A 284 -11.027 0.593 -14.233 1.00 0.00 H ATOM 523 HG21 VAL A 284 -13.623 1.289 -12.778 1.00 0.00 H ATOM 524 HG22 VAL A 284 -14.651 1.146 -14.225 1.00 0.00 H ATOM 525 HG23 VAL A 284 -13.339 -0.025 -13.946 1.00 0.00 H ATOM 526 H VAL A 284 -13.139 3.412 -12.321 1.00 0.00 H ATOM 527 N GLY A 285 -15.307 4.325 -14.227 1.00 23.22 N ATOM 528 CA GLY A 285 -16.583 4.878 -14.692 1.00 23.24 C ATOM 529 C GLY A 285 -17.811 3.991 -14.541 1.00 27.49 C ATOM 530 O GLY A 285 -18.888 4.328 -15.036 1.00 37.36 O ATOM 531 HA3 GLY A 285 -16.474 5.114 -15.751 1.00 0.00 H ATOM 532 HA2 GLY A 285 -16.768 5.796 -14.134 1.00 0.00 H ATOM 533 H GLY A 285 -15.061 4.409 -13.220 1.00 0.00 H ATOM 534 N ARG A 286 -17.650 2.862 -13.856 1.00 24.60 N ATOM 535 CA ARG A 286 -18.731 1.897 -13.650 1.00 21.18 C ATOM 536 C ARG A 286 -18.829 1.626 -12.173 1.00 20.14 C ATOM 537 O ARG A 286 -17.812 1.353 -11.521 1.00 19.52 O ATOM 538 CB ARG A 286 -18.383 0.568 -14.310 1.00 24.45 C ATOM 539 CG ARG A 286 -17.901 0.680 -15.732 1.00 25.95 C ATOM 540 CD ARG A 286 -17.195 -0.594 -16.154 1.00 31.27 C ATOM 541 NE ARG A 286 -17.067 -0.624 -17.606 1.00 34.59 N ATOM 542 CZ ARG A 286 -16.093 -1.237 -18.268 1.00 37.25 C ATOM 543 NH1 ARG A 286 -15.137 -1.892 -17.614 1.00 42.17 N ATOM 544 NH2 ARG A 286 -16.075 -1.188 -19.591 1.00 36.50 N ATOM 545 HA ARG A 286 -19.654 2.299 -14.067 1.00 0.00 H ATOM 546 HB2 ARG A 286 -17.599 0.091 -13.722 1.00 0.00 H ATOM 547 HB3 ARG A 286 -19.274 -0.060 -14.302 1.00 0.00 H ATOM 548 HG2 ARG A 286 -18.754 0.852 -16.388 1.00 0.00 H ATOM 549 HG3 ARG A 286 -17.208 1.518 -15.812 1.00 0.00 H ATOM 550 HD2 ARG A 286 -17.773 -1.456 -15.823 1.00 0.00 H ATOM 551 HD3 ARG A 286 -16.204 -0.627 -15.701 1.00 0.00 H ATOM 552 HE ARG A 286 -17.792 -0.129 -18.164 1.00 0.00 H ATOM 553 HH12 ARG A 286 -14.379 -2.369 -18.142 1.00 0.00 H ATOM 554 HH11 ARG A 286 -15.148 -1.927 -16.575 1.00 0.00 H ATOM 555 HH22 ARG A 286 -15.316 -1.665 -20.119 1.00 0.00 H ATOM 556 HH21 ARG A 286 -16.820 -0.673 -20.102 1.00 0.00 H ATOM 557 H ARG A 286 -16.715 2.656 -13.449 1.00 0.00 H ATOM 558 N ASN A 287 -20.048 1.652 -11.645 1.00 17.40 N ATOM 559 CA ASN A 287 -20.274 1.343 -10.233 1.00 17.96 C ATOM 560 C ASN A 287 -19.274 2.057 -9.316 1.00 15.56 C ATOM 561 O ASN A 287 -19.081 3.268 -9.451 1.00 17.73 O ATOM 562 CB ASN A 287 -20.302 -0.176 -10.012 1.00 23.71 C ATOM 563 CG ASN A 287 -21.379 -0.862 -10.848 1.00 29.45 C ATOM 564 OD1 ASN A 287 -21.143 -1.900 -11.456 1.00 33.89 O ATOM 565 ND2 ASN A 287 -22.558 -0.269 -10.889 1.00 22.91 N ATOM 566 HA ASN A 287 -21.254 1.731 -9.956 1.00 0.00 H ATOM 567 HB2 ASN A 287 -19.330 -0.588 -10.284 1.00 0.00 H ATOM 568 HB3 ASN A 287 -20.497 -0.374 -8.958 1.00 0.00 H ATOM 569 HD22 ASN A 287 -22.716 0.611 -10.358 1.00 0.00 H ATOM 570 HD21 ASN A 287 -23.328 -0.682 -11.452 1.00 0.00 H ATOM 571 H ASN A 287 -20.859 1.897 -12.248 1.00 0.00 H ATOM 572 N ASP A 288 -18.666 1.330 -8.380 1.00 15.73 N ATOM 573 CA ASP A 288 -17.562 1.882 -7.556 1.00 15.15 C ATOM 574 C ASP A 288 -16.182 1.268 -7.877 1.00 15.31 C ATOM 575 O ASP A 288 -15.339 1.098 -6.989 1.00 13.15 O ATOM 576 CB ASP A 288 -17.899 1.801 -6.049 1.00 15.66 C ATOM 577 CG ASP A 288 -18.068 0.358 -5.522 1.00 20.66 C ATOM 578 OD1 ASP A 288 -18.058 -0.627 -6.301 1.00 16.10 O ATOM 579 OD2 ASP A 288 -18.234 0.220 -4.280 1.00 19.84 O ATOM 580 HA ASP A 288 -17.475 2.934 -7.827 1.00 0.00 H ATOM 581 HB2 ASP A 288 -17.094 2.279 -5.491 1.00 0.00 H ATOM 582 HB3 ASP A 288 -18.830 2.341 -5.876 1.00 0.00 H ATOM 583 H ASP A 288 -18.973 0.349 -8.222 1.00 0.00 H ATOM 584 N ASP A 289 -15.973 0.946 -9.154 1.00 13.80 N ATOM 585 CA ASP A 289 -14.790 0.219 -9.613 1.00 13.69 C ATOM 586 C ASP A 289 -13.632 1.189 -9.845 1.00 14.32 C ATOM 587 O ASP A 289 -13.773 2.176 -10.584 1.00 11.92 O ATOM 588 CB ASP A 289 -15.048 -0.507 -10.951 1.00 16.37 C ATOM 589 CG ASP A 289 -16.113 -1.610 -10.869 1.00 22.26 C ATOM 590 OD1 ASP A 289 -16.775 -1.789 -9.823 1.00 22.00 O ATOM 591 OD2 ASP A 289 -16.315 -2.302 -11.905 1.00 17.79 O ATOM 592 HA ASP A 289 -14.550 -0.509 -8.838 1.00 0.00 H ATOM 593 HB2 ASP A 289 -15.374 0.231 -11.684 1.00 0.00 H ATOM 594 HB3 ASP A 289 -14.113 -0.958 -11.283 1.00 0.00 H ATOM 595 H ASP A 289 -16.686 1.225 -9.858 1.00 0.00 H ATOM 596 N VAL A 290 -12.494 0.880 -9.240 1.00 12.44 N ATOM 597 CA VAL A 290 -11.276 1.667 -9.435 1.00 11.28 C ATOM 598 C VAL A 290 -10.086 0.770 -9.764 1.00 12.60 C ATOM 599 O VAL A 290 -10.091 -0.421 -9.429 1.00 13.20 O ATOM 600 CB VAL A 290 -10.946 2.505 -8.188 1.00 9.66 C ATOM 601 CG1 VAL A 290 -12.075 3.474 -7.879 1.00 10.10 C ATOM 602 CG2 VAL A 290 -10.613 1.630 -6.991 1.00 9.11 C ATOM 603 HA VAL A 290 -11.463 2.337 -10.275 1.00 0.00 H ATOM 604 HB VAL A 290 -10.052 3.090 -8.406 1.00 0.00 H ATOM 605 HG11 VAL A 290 -12.219 4.144 -8.727 1.00 0.00 H ATOM 606 HG12 VAL A 290 -12.992 2.915 -7.696 1.00 0.00 H ATOM 607 HG13 VAL A 290 -11.820 4.056 -6.993 1.00 0.00 H ATOM 608 HG21 VAL A 290 -11.467 0.993 -6.760 1.00 0.00 H ATOM 609 HG22 VAL A 290 -9.748 1.010 -7.226 1.00 0.00 H ATOM 610 HG23 VAL A 290 -10.386 2.262 -6.132 1.00 0.00 H ATOM 611 H VAL A 290 -12.466 0.054 -8.608 1.00 0.00 H ATOM 612 N LYS A 291 -9.068 1.352 -10.385 1.00 13.55 N ATOM 613 CA LYS A 291 -7.860 0.608 -10.752 1.00 16.35 C ATOM 614 C LYS A 291 -6.628 1.370 -10.326 1.00 12.86 C ATOM 615 O LYS A 291 -6.627 2.604 -10.350 1.00 14.13 O ATOM 616 CB LYS A 291 -7.815 0.364 -12.274 1.00 18.39 C ATOM 617 CG LYS A 291 -8.707 -0.772 -12.737 1.00 26.45 C ATOM 618 CD LYS A 291 -8.141 -1.492 -13.961 1.00 42.52 C ATOM 619 CE LYS A 291 -8.052 -0.594 -15.186 1.00 44.79 C ATOM 620 NZ LYS A 291 -7.251 -1.228 -16.273 1.00 44.57 N ATOM 621 HA LYS A 291 -7.883 -0.354 -10.240 1.00 0.00 H ATOM 622 HB2 LYS A 291 -8.131 1.277 -12.779 1.00 0.00 H ATOM 623 HB3 LYS A 291 -6.788 0.132 -12.555 1.00 0.00 H ATOM 624 HG2 LYS A 291 -8.810 -1.491 -11.924 1.00 0.00 H ATOM 625 HG3 LYS A 291 -9.687 -0.368 -12.990 1.00 0.00 H ATOM 626 HD2 LYS A 291 -7.141 -1.854 -13.721 1.00 0.00 H ATOM 627 HD3 LYS A 291 -8.786 -2.339 -14.196 1.00 0.00 H ATOM 628 HE2 LYS A 291 -7.581 0.347 -14.902 1.00 0.00 H ATOM 629 HE3 LYS A 291 -9.059 -0.398 -15.556 1.00 0.00 H ATOM 630 HZ1 LYS A 291 -6.287 -1.412 -15.929 1.00 0.00 H ATOM 631 HZ2 LYS A 291 -7.698 -2.124 -16.553 1.00 0.00 H ATOM 632 HZ3 LYS A 291 -7.212 -0.588 -17.092 1.00 0.00 H ATOM 633 H LYS A 291 -9.129 2.364 -10.618 1.00 0.00 H ATOM 634 N CYS A 292 -5.570 0.652 -9.943 1.00 14.70 N ATOM 635 CA CYS A 292 -4.287 1.301 -9.639 1.00 12.96 C ATOM 636 C CYS A 292 -3.499 1.545 -10.915 1.00 14.62 C ATOM 637 O CYS A 292 -3.399 0.669 -11.801 1.00 14.91 O ATOM 638 CB CYS A 292 -3.468 0.463 -8.669 1.00 13.92 C ATOM 639 SG CYS A 292 -1.760 1.016 -8.391 1.00 15.93 S ATOM 640 HA CYS A 292 -4.499 2.260 -9.167 1.00 0.00 H ATOM 641 HB2 CYS A 292 -3.431 -0.555 -9.056 1.00 0.00 H ATOM 642 HB3 CYS A 292 -3.982 0.467 -7.708 1.00 0.00 H ATOM 643 HG CYS A 292 -1.143 0.167 -7.495 1.00 0.00 H ATOM 644 H CYS A 292 -5.655 -0.381 -9.859 1.00 0.00 H ATOM 645 N PHE A 293 -2.926 2.740 -11.017 1.00 13.39 N ATOM 646 CA PHE A 293 -2.160 3.101 -12.207 1.00 14.75 C ATOM 647 C PHE A 293 -0.851 2.302 -12.375 1.00 17.51 C ATOM 648 O PHE A 293 -0.283 2.248 -13.482 1.00 17.90 O ATOM 649 CB PHE A 293 -1.848 4.602 -12.198 1.00 17.37 C ATOM 650 CG PHE A 293 -0.655 4.961 -11.360 1.00 15.56 C ATOM 651 CD1 PHE A 293 -0.775 5.121 -9.970 1.00 13.90 C ATOM 652 CD2 PHE A 293 0.594 5.133 -11.948 1.00 19.71 C ATOM 653 CE1 PHE A 293 0.327 5.465 -9.199 1.00 14.47 C ATOM 654 CE2 PHE A 293 1.705 5.464 -11.173 1.00 24.13 C ATOM 655 CZ PHE A 293 1.572 5.629 -9.803 1.00 17.20 C ATOM 656 HA PHE A 293 -2.791 2.845 -13.058 1.00 0.00 H ATOM 657 HB2 PHE A 293 -1.659 4.921 -13.223 1.00 0.00 H ATOM 658 HB3 PHE A 293 -2.716 5.133 -11.808 1.00 0.00 H ATOM 659 HD2 PHE A 293 0.705 5.008 -13.025 1.00 0.00 H ATOM 660 HE2 PHE A 293 2.679 5.593 -11.645 1.00 0.00 H ATOM 661 HZ PHE A 293 2.441 5.887 -9.198 1.00 0.00 H ATOM 662 HE1 PHE A 293 0.219 5.606 -8.124 1.00 0.00 H ATOM 663 HD1 PHE A 293 -1.743 4.974 -9.492 1.00 0.00 H ATOM 664 H PHE A 293 -3.024 3.425 -10.241 1.00 0.00 H ATOM 665 N SER A 294 -0.374 1.708 -11.290 1.00 14.94 N ATOM 666 CA SER A 294 0.928 1.030 -11.280 1.00 18.71 C ATOM 667 C SER A 294 0.826 -0.482 -11.424 1.00 19.95 C ATOM 668 O SER A 294 1.454 -1.066 -12.316 1.00 19.54 O ATOM 669 CB SER A 294 1.710 1.402 -10.013 1.00 20.75 C ATOM 670 OG SER A 294 2.904 0.632 -9.873 1.00 23.08 O ATOM 671 HA SER A 294 1.468 1.381 -12.160 1.00 0.00 H ATOM 672 HB2 SER A 294 1.075 1.228 -9.144 1.00 0.00 H ATOM 673 HB3 SER A 294 1.976 2.458 -10.061 1.00 0.00 H ATOM 674 HG SER A 294 2.671 -0.329 -9.821 1.00 0.00 H ATOM 675 H SER A 294 -0.940 1.723 -10.418 1.00 0.00 H ATOM 676 N CYS A 295 0.056 -1.122 -10.549 1.00 18.14 N ATOM 677 CA CYS A 295 -0.089 -2.580 -10.584 1.00 19.29 C ATOM 678 C CYS A 295 -1.278 -3.052 -11.422 1.00 20.42 C ATOM 679 O CYS A 295 -1.346 -4.229 -11.763 1.00 16.56 O ATOM 680 CB CYS A 295 -0.160 -3.185 -9.170 1.00 18.12 C ATOM 681 SG CYS A 295 -1.656 -2.727 -8.263 1.00 15.25 S ATOM 682 HA CYS A 295 0.813 -2.945 -11.075 1.00 0.00 H ATOM 683 HB2 CYS A 295 0.706 -2.842 -8.604 1.00 0.00 H ATOM 684 HB3 CYS A 295 -0.128 -4.271 -9.257 1.00 0.00 H ATOM 685 HG CYS A 295 -1.709 -1.355 -8.129 1.00 0.00 H ATOM 686 H CYS A 295 -0.454 -0.577 -9.825 1.00 0.00 H ATOM 687 N ASP A 296 -2.203 -2.141 -11.758 1.00 18.93 N ATOM 688 CA ASP A 296 -3.397 -2.474 -12.555 1.00 20.87 C ATOM 689 C ASP A 296 -4.417 -3.306 -11.761 1.00 17.58 C ATOM 690 O ASP A 296 -5.369 -3.850 -12.320 1.00 20.45 O ATOM 691 CB ASP A 296 -3.023 -3.155 -13.891 1.00 21.62 C ATOM 692 CG ASP A 296 -4.120 -3.039 -14.942 1.00 36.13 C ATOM 693 OD1 ASP A 296 -4.580 -1.904 -15.187 1.00 34.25 O ATOM 694 OD2 ASP A 296 -4.517 -4.075 -15.538 1.00 35.06 O ATOM 695 HA ASP A 296 -3.883 -1.529 -12.796 1.00 0.00 H ATOM 696 HB2 ASP A 296 -2.118 -2.687 -14.279 1.00 0.00 H ATOM 697 HB3 ASP A 296 -2.832 -4.211 -13.702 1.00 0.00 H ATOM 698 H ASP A 296 -2.072 -1.159 -11.443 1.00 0.00 H ATOM 699 N GLY A 297 -4.212 -3.397 -10.452 1.00 14.32 N ATOM 700 CA GLY A 297 -5.168 -4.086 -9.593 1.00 13.28 C ATOM 701 C GLY A 297 -6.441 -3.264 -9.502 1.00 15.45 C ATOM 702 O GLY A 297 -6.389 -2.040 -9.360 1.00 17.40 O ATOM 703 HA3 GLY A 297 -4.741 -4.209 -8.598 1.00 0.00 H ATOM 704 HA2 GLY A 297 -5.396 -5.066 -10.013 1.00 0.00 H ATOM 705 H GLY A 297 -3.360 -2.972 -10.035 1.00 0.00 H ATOM 706 N GLY A 298 -7.585 -3.927 -9.595 1.00 12.60 N ATOM 707 CA GLY A 298 -8.865 -3.219 -9.481 1.00 12.69 C ATOM 708 C GLY A 298 -9.557 -3.636 -8.204 1.00 13.66 C ATOM 709 O GLY A 298 -9.452 -4.798 -7.806 1.00 14.84 O ATOM 710 HA3 GLY A 298 -9.496 -3.467 -10.335 1.00 0.00 H ATOM 711 HA2 GLY A 298 -8.686 -2.144 -9.464 1.00 0.00 H ATOM 712 H GLY A 298 -7.575 -4.955 -9.750 1.00 0.00 H ATOM 713 N LEU A 299 -10.235 -2.675 -7.569 1.00 14.16 N ATOM 714 CA LEU A 299 -11.035 -2.889 -6.366 1.00 12.30 C ATOM 715 C LEU A 299 -12.459 -2.361 -6.567 1.00 16.98 C ATOM 716 O LEU A 299 -12.672 -1.403 -7.312 1.00 13.91 O ATOM 717 CB LEU A 299 -10.382 -2.179 -5.173 1.00 10.64 C ATOM 718 CG LEU A 299 -9.026 -2.728 -4.726 1.00 12.07 C ATOM 719 CD1 LEU A 299 -8.534 -1.951 -3.521 1.00 11.00 C ATOM 720 CD2 LEU A 299 -9.122 -4.212 -4.396 1.00 14.93 C ATOM 721 HA LEU A 299 -11.084 -3.960 -6.167 1.00 0.00 H ATOM 722 HB2 LEU A 299 -10.246 -1.131 -5.442 1.00 0.00 H ATOM 723 HB3 LEU A 299 -11.066 -2.250 -4.327 1.00 0.00 H ATOM 724 HG LEU A 299 -8.315 -2.611 -5.544 1.00 0.00 H ATOM 725 HD21 LEU A 299 -9.842 -4.358 -3.591 1.00 0.00 H ATOM 726 HD22 LEU A 299 -9.448 -4.759 -5.281 1.00 0.00 H ATOM 727 HD23 LEU A 299 -8.144 -4.577 -4.081 1.00 0.00 H ATOM 728 HD11 LEU A 299 -8.429 -0.899 -3.787 1.00 0.00 H ATOM 729 HD12 LEU A 299 -9.252 -2.052 -2.707 1.00 0.00 H ATOM 730 HD13 LEU A 299 -7.568 -2.345 -3.206 1.00 0.00 H ATOM 731 H LEU A 299 -10.190 -1.711 -7.957 1.00 0.00 H ATOM 732 N ARG A 300 -13.426 -2.988 -5.897 1.00 13.76 N ATOM 733 CA ARG A 300 -14.837 -2.590 -5.980 1.00 13.85 C ATOM 734 C ARG A 300 -15.519 -3.019 -4.663 1.00 15.13 C ATOM 735 O ARG A 300 -14.869 -3.599 -3.781 1.00 15.07 O ATOM 736 CB ARG A 300 -15.518 -3.279 -7.162 1.00 16.48 C ATOM 737 CG ARG A 300 -15.588 -4.805 -7.031 1.00 16.21 C ATOM 738 CD ARG A 300 -16.608 -5.415 -7.978 1.00 22.10 C ATOM 739 NE ARG A 300 -16.370 -4.974 -9.347 1.00 20.03 N ATOM 740 CZ ARG A 300 -15.690 -5.659 -10.266 1.00 28.28 C ATOM 741 NH1 ARG A 300 -15.163 -6.855 -9.990 1.00 22.50 N ATOM 742 NH2 ARG A 300 -15.539 -5.143 -11.482 1.00 24.54 N ATOM 743 HA ARG A 300 -14.916 -1.513 -6.127 1.00 0.00 H ATOM 744 HB2 ARG A 300 -16.534 -2.894 -7.246 1.00 0.00 H ATOM 745 HB3 ARG A 300 -14.963 -3.036 -8.068 1.00 0.00 H ATOM 746 HG2 ARG A 300 -14.606 -5.222 -7.255 1.00 0.00 H ATOM 747 HG3 ARG A 300 -15.864 -5.058 -6.007 1.00 0.00 H ATOM 748 HD2 ARG A 300 -17.608 -5.109 -7.672 1.00 0.00 H ATOM 749 HD3 ARG A 300 -16.533 -6.501 -7.934 1.00 0.00 H ATOM 750 HE ARG A 300 -16.762 -4.053 -9.629 1.00 0.00 H ATOM 751 HH12 ARG A 300 -14.636 -7.373 -10.722 1.00 0.00 H ATOM 752 HH11 ARG A 300 -15.280 -7.269 -9.043 1.00 0.00 H ATOM 753 HH22 ARG A 300 -15.010 -5.668 -12.208 1.00 0.00 H ATOM 754 HH21 ARG A 300 -15.949 -4.214 -11.707 1.00 0.00 H ATOM 755 H ARG A 300 -13.170 -3.793 -5.290 1.00 0.00 H ATOM 756 N CYS A 301 -16.807 -2.709 -4.524 1.00 13.92 N ATOM 757 CA CYS A 301 -17.583 -3.103 -3.343 1.00 14.61 C ATOM 758 C CYS A 301 -16.960 -2.559 -2.059 1.00 15.90 C ATOM 759 O CYS A 301 -16.817 -3.254 -1.053 1.00 17.12 O ATOM 760 CB CYS A 301 -17.806 -4.630 -3.311 1.00 16.57 C ATOM 761 SG CYS A 301 -18.628 -5.225 -4.818 1.00 20.71 S ATOM 762 HA CYS A 301 -18.571 -2.648 -3.413 1.00 0.00 H ATOM 763 HB2 CYS A 301 -18.426 -4.878 -2.449 1.00 0.00 H ATOM 764 HB3 CYS A 301 -16.840 -5.126 -3.217 1.00 0.00 H ATOM 765 HG CYS A 301 -18.802 -6.592 -4.736 1.00 0.00 H ATOM 766 H CYS A 301 -17.278 -2.170 -5.278 1.00 0.00 H ATOM 767 N TRP A 302 -16.616 -1.276 -2.114 1.00 18.23 N ATOM 768 CA TRP A 302 -16.100 -0.519 -0.980 1.00 17.58 C ATOM 769 C TRP A 302 -17.107 -0.489 0.144 1.00 22.06 C ATOM 770 O TRP A 302 -18.306 -0.369 -0.103 1.00 21.26 O ATOM 771 CB TRP A 302 -15.738 0.882 -1.465 1.00 15.09 C ATOM 772 CG TRP A 302 -14.572 0.856 -2.438 1.00 15.45 C ATOM 773 CD1 TRP A 302 -14.613 0.755 -3.827 1.00 15.08 C ATOM 774 CD2 TRP A 302 -13.156 0.895 -2.100 1.00 13.88 C ATOM 775 NE1 TRP A 302 -13.346 0.740 -4.360 1.00 15.93 N ATOM 776 CE2 TRP A 302 -12.422 0.816 -3.369 1.00 10.58 C ATOM 777 CE3 TRP A 302 -12.438 0.985 -0.909 1.00 13.00 C ATOM 778 CZ2 TRP A 302 -11.033 0.838 -3.413 1.00 13.32 C ATOM 779 CZ3 TRP A 302 -11.041 0.998 -0.967 1.00 13.54 C ATOM 780 CH2 TRP A 302 -10.355 0.944 -2.196 1.00 14.50 C ATOM 781 HA TRP A 302 -15.206 -0.997 -0.580 1.00 0.00 H ATOM 782 HB2 TRP A 302 -16.604 1.319 -1.963 1.00 0.00 H ATOM 783 HB3 TRP A 302 -15.467 1.495 -0.605 1.00 0.00 H ATOM 784 HE1 TRP A 302 -13.127 0.679 -5.375 1.00 0.00 H ATOM 785 HD1 TRP A 302 -15.530 0.696 -4.414 1.00 0.00 H ATOM 786 HZ2 TRP A 302 -10.494 0.775 -4.359 1.00 0.00 H ATOM 787 HH2 TRP A 302 -9.266 0.986 -2.198 1.00 0.00 H ATOM 788 HZ3 TRP A 302 -10.470 1.051 -0.040 1.00 0.00 H ATOM 789 HE3 TRP A 302 -12.955 1.044 0.049 1.00 0.00 H ATOM 790 H TRP A 302 -16.722 -0.781 -3.023 1.00 0.00 H ATOM 791 N GLU A 303 -16.634 -0.622 1.383 1.00 19.45 N ATOM 792 CA GLU A 303 -17.490 -0.706 2.572 1.00 22.34 C ATOM 793 C GLU A 303 -17.185 0.426 3.554 1.00 20.66 C ATOM 794 O GLU A 303 -16.076 0.959 3.560 1.00 17.06 O ATOM 795 CB GLU A 303 -17.259 -2.036 3.303 1.00 29.74 C ATOM 796 CG GLU A 303 -17.761 -3.293 2.604 1.00 34.47 C ATOM 797 CD GLU A 303 -17.382 -4.570 3.358 1.00 43.07 C ATOM 798 OE1 GLU A 303 -17.127 -4.508 4.582 1.00 40.01 O ATOM 799 OE2 GLU A 303 -17.328 -5.651 2.729 1.00 50.75 O ATOM 800 HA GLU A 303 -18.523 -0.630 2.231 1.00 0.00 H ATOM 801 HB2 GLU A 303 -16.186 -2.148 3.456 1.00 0.00 H ATOM 802 HB3 GLU A 303 -17.758 -1.973 4.270 1.00 0.00 H ATOM 803 HG2 GLU A 303 -18.847 -3.241 2.527 1.00 0.00 H ATOM 804 HG3 GLU A 303 -17.328 -3.335 1.604 1.00 0.00 H ATOM 805 H GLU A 303 -15.603 -0.669 1.514 1.00 0.00 H ATOM 806 N SER A 304 -18.157 0.765 4.405 1.00 19.75 N ATOM 807 CA SER A 304 -17.912 1.664 5.550 1.00 20.78 C ATOM 808 C SER A 304 -16.627 1.282 6.308 1.00 24.39 C ATOM 809 O SER A 304 -16.427 0.125 6.666 1.00 26.56 O ATOM 810 CB SER A 304 -19.112 1.644 6.515 1.00 26.06 C ATOM 811 OG SER A 304 -18.855 2.474 7.643 1.00 35.22 O ATOM 812 HA SER A 304 -17.784 2.671 5.153 1.00 0.00 H ATOM 813 HB2 SER A 304 -19.285 0.622 6.852 1.00 0.00 H ATOM 814 HB3 SER A 304 -19.998 2.008 5.995 1.00 0.00 H ATOM 815 HG SER A 304 -19.634 2.451 8.253 1.00 0.00 H ATOM 816 H SER A 304 -19.114 0.385 4.257 1.00 0.00 H ATOM 817 N GLY A 305 -15.745 2.244 6.537 1.00 23.62 N ATOM 818 CA GLY A 305 -14.504 1.964 7.276 1.00 25.35 C ATOM 819 C GLY A 305 -13.304 1.566 6.427 1.00 23.42 C ATOM 820 O GLY A 305 -12.175 1.563 6.924 1.00 25.00 O ATOM 821 HA3 GLY A 305 -14.706 1.151 7.973 1.00 0.00 H ATOM 822 HA2 GLY A 305 -14.237 2.861 7.834 1.00 0.00 H ATOM 823 H GLY A 305 -15.932 3.207 6.191 1.00 0.00 H ATOM 824 N ASP A 306 -13.528 1.229 5.149 1.00 20.77 N ATOM 825 CA ASP A 306 -12.420 0.869 4.262 1.00 17.62 C ATOM 826 C ASP A 306 -11.427 2.023 4.127 1.00 16.32 C ATOM 827 O ASP A 306 -11.834 3.180 4.017 1.00 18.93 O ATOM 828 CB ASP A 306 -12.924 0.518 2.854 1.00 14.94 C ATOM 829 CG ASP A 306 -13.411 -0.928 2.721 1.00 20.02 C ATOM 830 OD1 ASP A 306 -13.353 -1.720 3.685 1.00 23.35 O ATOM 831 OD2 ASP A 306 -13.869 -1.271 1.611 1.00 19.81 O ATOM 832 HA ASP A 306 -11.932 0.003 4.709 1.00 0.00 H ATOM 833 HB2 ASP A 306 -13.750 1.185 2.607 1.00 0.00 H ATOM 834 HB3 ASP A 306 -12.109 0.674 2.147 1.00 0.00 H ATOM 835 H ASP A 306 -14.501 1.223 4.783 1.00 0.00 H ATOM 836 N ASP A 307 -10.132 1.705 4.124 1.00 16.37 N ATOM 837 CA ASP A 307 -9.084 2.684 3.816 1.00 17.30 C ATOM 838 C ASP A 307 -8.404 2.238 2.524 1.00 15.35 C ATOM 839 O ASP A 307 -8.008 1.070 2.393 1.00 15.37 O ATOM 840 CB ASP A 307 -8.077 2.794 4.951 1.00 20.95 C ATOM 841 CG ASP A 307 -7.054 3.894 4.713 1.00 36.75 C ATOM 842 OD1 ASP A 307 -6.250 3.792 3.755 1.00 34.12 O ATOM 843 OD2 ASP A 307 -7.048 4.869 5.488 1.00 42.95 O ATOM 844 HA ASP A 307 -9.523 3.674 3.694 1.00 0.00 H ATOM 845 HB2 ASP A 307 -8.613 3.008 5.876 1.00 0.00 H ATOM 846 HB3 ASP A 307 -7.553 1.843 5.048 1.00 0.00 H ATOM 847 H ASP A 307 -9.855 0.728 4.348 1.00 0.00 H ATOM 848 N PRO A 308 -8.321 3.140 1.537 1.00 12.96 N ATOM 849 CA PRO A 308 -7.775 2.711 0.242 1.00 11.79 C ATOM 850 C PRO A 308 -6.331 2.165 0.313 1.00 15.09 C ATOM 851 O PRO A 308 -5.993 1.262 -0.453 1.00 13.22 O ATOM 852 CB PRO A 308 -7.859 3.977 -0.592 1.00 15.37 C ATOM 853 CG PRO A 308 -9.109 4.627 -0.077 1.00 16.83 C ATOM 854 CD PRO A 308 -9.027 4.435 1.427 1.00 14.72 C ATOM 855 HA PRO A 308 -8.329 1.868 -0.171 1.00 0.00 H ATOM 856 HD3 PRO A 308 -8.459 5.237 1.898 1.00 0.00 H ATOM 857 HD2 PRO A 308 -10.020 4.384 1.874 1.00 0.00 H ATOM 858 HG3 PRO A 308 -9.996 4.140 -0.483 1.00 0.00 H ATOM 859 HG2 PRO A 308 -9.129 5.686 -0.333 1.00 0.00 H ATOM 860 HB2 PRO A 308 -6.989 4.613 -0.430 1.00 0.00 H ATOM 861 HB3 PRO A 308 -7.945 3.744 -1.653 1.00 0.00 H ATOM 862 N TRP A 309 -5.502 2.684 1.230 1.00 12.98 N ATOM 863 CA TRP A 309 -4.135 2.147 1.394 1.00 14.20 C ATOM 864 C TRP A 309 -4.133 0.766 1.953 1.00 14.41 C ATOM 865 O TRP A 309 -3.365 -0.068 1.492 1.00 11.97 O ATOM 866 CB TRP A 309 -3.257 3.024 2.274 1.00 15.83 C ATOM 867 CG TRP A 309 -2.893 4.334 1.655 1.00 17.52 C ATOM 868 CD1 TRP A 309 -3.385 5.589 1.996 1.00 21.31 C ATOM 869 CD2 TRP A 309 -1.945 4.574 0.565 1.00 17.86 C ATOM 870 NE1 TRP A 309 -2.816 6.562 1.223 1.00 23.76 N ATOM 871 CE2 TRP A 309 -1.941 6.023 0.344 1.00 16.15 C ATOM 872 CE3 TRP A 309 -1.122 3.767 -0.217 1.00 16.61 C ATOM 873 CZ2 TRP A 309 -1.149 6.618 -0.620 1.00 18.82 C ATOM 874 CZ3 TRP A 309 -0.322 4.381 -1.196 1.00 18.69 C ATOM 875 CH2 TRP A 309 -0.329 5.770 -1.381 1.00 17.35 C ATOM 876 HA TRP A 309 -3.720 2.132 0.386 1.00 0.00 H ATOM 877 HB2 TRP A 309 -3.791 3.220 3.204 1.00 0.00 H ATOM 878 HB3 TRP A 309 -2.338 2.480 2.492 1.00 0.00 H ATOM 879 HE1 TRP A 309 -3.027 7.577 1.300 1.00 0.00 H ATOM 880 HD1 TRP A 309 -4.125 5.772 2.775 1.00 0.00 H ATOM 881 HZ2 TRP A 309 -1.161 7.696 -0.782 1.00 0.00 H ATOM 882 HH2 TRP A 309 0.322 6.205 -2.139 1.00 0.00 H ATOM 883 HZ3 TRP A 309 0.318 3.763 -1.825 1.00 0.00 H ATOM 884 HE3 TRP A 309 -1.099 2.687 -0.073 1.00 0.00 H ATOM 885 H TRP A 309 -5.823 3.470 1.830 1.00 0.00 H ATOM 886 N VAL A 310 -4.982 0.509 2.951 1.00 13.61 N ATOM 887 CA VAL A 310 -5.040 -0.814 3.598 1.00 14.00 C ATOM 888 C VAL A 310 -5.501 -1.835 2.570 1.00 15.89 C ATOM 889 O VAL A 310 -4.915 -2.915 2.452 1.00 13.76 O ATOM 890 CB VAL A 310 -6.027 -0.827 4.789 1.00 15.54 C ATOM 891 CG1 VAL A 310 -6.238 -2.243 5.309 1.00 17.32 C ATOM 892 CG2 VAL A 310 -5.517 0.086 5.908 1.00 20.36 C ATOM 893 HA VAL A 310 -4.047 -1.054 3.978 1.00 0.00 H ATOM 894 HB VAL A 310 -6.989 -0.451 4.440 1.00 0.00 H ATOM 895 HG11 VAL A 310 -6.644 -2.865 4.511 1.00 0.00 H ATOM 896 HG12 VAL A 310 -5.284 -2.653 5.641 1.00 0.00 H ATOM 897 HG13 VAL A 310 -6.936 -2.221 6.146 1.00 0.00 H ATOM 898 HG21 VAL A 310 -4.543 -0.266 6.247 1.00 0.00 H ATOM 899 HG22 VAL A 310 -5.425 1.105 5.531 1.00 0.00 H ATOM 900 HG23 VAL A 310 -6.221 0.067 6.740 1.00 0.00 H ATOM 901 H VAL A 310 -5.619 1.262 3.280 1.00 0.00 H ATOM 902 N GLU A 311 -6.542 -1.479 1.819 1.00 14.76 N ATOM 903 CA GLU A 311 -7.070 -2.381 0.812 1.00 15.22 C ATOM 904 C GLU A 311 -6.026 -2.630 -0.277 1.00 11.23 C ATOM 905 O GLU A 311 -5.891 -3.755 -0.759 1.00 12.47 O ATOM 906 CB GLU A 311 -8.388 -1.855 0.222 1.00 22.67 C ATOM 907 CG GLU A 311 -9.555 -1.816 1.206 1.00 16.02 C ATOM 908 CD GLU A 311 -9.846 -3.164 1.867 1.00 23.06 C ATOM 909 OE1 GLU A 311 -10.350 -4.099 1.198 1.00 25.97 O ATOM 910 OE2 GLU A 311 -9.570 -3.298 3.083 1.00 24.80 O ATOM 911 HA GLU A 311 -7.295 -3.334 1.291 1.00 0.00 H ATOM 912 HB2 GLU A 311 -8.217 -0.842 -0.143 1.00 0.00 H ATOM 913 HB3 GLU A 311 -8.668 -2.498 -0.612 1.00 0.00 H ATOM 914 HG2 GLU A 311 -9.323 -1.092 1.987 1.00 0.00 H ATOM 915 HG3 GLU A 311 -10.448 -1.496 0.669 1.00 0.00 H ATOM 916 H GLU A 311 -6.981 -0.546 1.956 1.00 0.00 H ATOM 917 N HIS A 312 -5.274 -1.591 -0.654 1.00 10.26 N ATOM 918 CA HIS A 312 -4.182 -1.740 -1.648 1.00 11.00 C ATOM 919 C HIS A 312 -3.155 -2.765 -1.177 1.00 12.81 C ATOM 920 O HIS A 312 -2.723 -3.609 -1.941 1.00 15.06 O ATOM 921 CB HIS A 312 -3.525 -0.370 -1.910 1.00 10.73 C ATOM 922 CG HIS A 312 -2.904 -0.230 -3.295 1.00 11.26 C ATOM 923 ND1 HIS A 312 -2.775 0.962 -3.912 1.00 11.71 N ATOM 924 CD2 HIS A 312 -2.408 -1.178 -4.176 1.00 13.54 C ATOM 925 CE1 HIS A 312 -2.199 0.784 -5.124 1.00 14.10 C ATOM 926 NE2 HIS A 312 -1.973 -0.522 -5.280 1.00 12.96 N ATOM 927 HA HIS A 312 -4.603 -2.107 -2.584 1.00 0.00 H ATOM 928 HB2 HIS A 312 -4.286 0.402 -1.797 1.00 0.00 H ATOM 929 HB3 HIS A 312 -2.742 -0.218 -1.167 1.00 0.00 H ATOM 930 HD2 HIS A 312 -2.374 -2.255 -4.011 1.00 0.00 H ATOM 931 HE1 HIS A 312 -1.962 1.567 -5.844 1.00 0.00 H ATOM 932 H HIS A 312 -5.459 -0.655 -0.240 1.00 0.00 H ATOM 933 N ALA A 313 -2.775 -2.695 0.100 1.00 12.40 N ATOM 934 CA ALA A 313 -1.794 -3.604 0.724 1.00 12.65 C ATOM 935 C ALA A 313 -2.354 -5.001 0.975 1.00 13.49 C ATOM 936 O ALA A 313 -1.624 -5.984 0.872 1.00 12.45 O ATOM 937 CB ALA A 313 -1.272 -3.004 2.036 1.00 9.62 C ATOM 938 HA ALA A 313 -0.973 -3.713 0.015 1.00 0.00 H ATOM 939 HB1 ALA A 313 -0.791 -2.047 1.831 1.00 0.00 H ATOM 940 HB2 ALA A 313 -2.105 -2.854 2.722 1.00 0.00 H ATOM 941 HB3 ALA A 313 -0.550 -3.686 2.484 1.00 0.00 H ATOM 942 H ALA A 313 -3.197 -1.953 0.694 1.00 0.00 H ATOM 943 N LYS A 314 -3.650 -5.091 1.297 1.00 12.71 N ATOM 944 CA LYS A 314 -4.311 -6.391 1.485 1.00 13.71 C ATOM 945 C LYS A 314 -4.311 -7.238 0.209 1.00 13.89 C ATOM 946 O LYS A 314 -3.948 -8.438 0.215 1.00 13.17 O ATOM 947 CB LYS A 314 -5.740 -6.165 2.009 1.00 16.65 C ATOM 948 CG LYS A 314 -6.497 -7.416 2.439 1.00 21.62 C ATOM 949 CD LYS A 314 -7.854 -7.067 3.072 1.00 24.70 C ATOM 950 CE LYS A 314 -7.689 -6.196 4.323 1.00 34.34 C ATOM 951 NZ LYS A 314 -8.929 -5.506 4.822 1.00 30.90 N ATOM 952 HA LYS A 314 -3.742 -6.958 2.222 1.00 0.00 H ATOM 953 HB2 LYS A 314 -5.679 -5.499 2.870 1.00 0.00 H ATOM 954 HB3 LYS A 314 -6.314 -5.683 1.218 1.00 0.00 H ATOM 955 HG2 LYS A 314 -6.665 -8.046 1.565 1.00 0.00 H ATOM 956 HG3 LYS A 314 -5.896 -7.961 3.167 1.00 0.00 H ATOM 957 HD2 LYS A 314 -8.456 -6.526 2.342 1.00 0.00 H ATOM 958 HD3 LYS A 314 -8.363 -7.990 3.349 1.00 0.00 H ATOM 959 HE2 LYS A 314 -6.949 -5.428 4.098 1.00 0.00 H ATOM 960 HE3 LYS A 314 -7.317 -6.833 5.125 1.00 0.00 H ATOM 961 HZ1 LYS A 314 -9.296 -4.876 4.080 1.00 0.00 H ATOM 962 HZ2 LYS A 314 -9.648 -6.218 5.061 1.00 0.00 H ATOM 963 HZ3 LYS A 314 -8.697 -4.948 5.669 1.00 0.00 H ATOM 964 H LYS A 314 -4.204 -4.219 1.417 1.00 0.00 H ATOM 965 N TRP A 315 -4.655 -6.607 -0.904 1.00 12.11 N ATOM 966 CA TRP A 315 -4.929 -7.334 -2.136 1.00 13.58 C ATOM 967 C TRP A 315 -3.802 -7.319 -3.115 1.00 15.25 C ATOM 968 O TRP A 315 -3.638 -8.277 -3.885 1.00 15.17 O ATOM 969 CB TRP A 315 -6.186 -6.785 -2.798 1.00 16.24 C ATOM 970 CG TRP A 315 -7.409 -6.908 -1.926 1.00 15.06 C ATOM 971 CD1 TRP A 315 -8.189 -5.878 -1.408 1.00 18.30 C ATOM 972 CD2 TRP A 315 -8.016 -8.143 -1.397 1.00 15.19 C ATOM 973 NE1 TRP A 315 -9.212 -6.376 -0.642 1.00 15.03 N ATOM 974 CE2 TRP A 315 -9.175 -7.718 -0.599 1.00 17.50 C ATOM 975 CE3 TRP A 315 -7.744 -9.502 -1.519 1.00 18.29 C ATOM 976 CZ2 TRP A 315 -10.011 -8.634 0.041 1.00 18.51 C ATOM 977 CZ3 TRP A 315 -8.595 -10.417 -0.862 1.00 20.20 C ATOM 978 CH2 TRP A 315 -9.696 -9.985 -0.104 1.00 21.65 C ATOM 979 HA TRP A 315 -5.070 -8.375 -1.843 1.00 0.00 H ATOM 980 HB2 TRP A 315 -6.027 -5.731 -3.028 1.00 0.00 H ATOM 981 HB3 TRP A 315 -6.361 -7.335 -3.723 1.00 0.00 H ATOM 982 HE1 TRP A 315 -9.923 -5.791 -0.158 1.00 0.00 H ATOM 983 HD1 TRP A 315 -8.011 -4.818 -1.587 1.00 0.00 H ATOM 984 HZ2 TRP A 315 -10.870 -8.309 0.627 1.00 0.00 H ATOM 985 HH2 TRP A 315 -10.324 -10.729 0.386 1.00 0.00 H ATOM 986 HZ3 TRP A 315 -8.393 -11.485 -0.945 1.00 0.00 H ATOM 987 HE3 TRP A 315 -6.895 -9.851 -2.107 1.00 0.00 H ATOM 988 H TRP A 315 -4.731 -5.570 -0.898 1.00 0.00 H ATOM 989 N PHE A 316 -3.005 -6.247 -3.098 1.00 11.06 N ATOM 990 CA PHE A 316 -1.929 -6.104 -4.096 1.00 13.32 C ATOM 991 C PHE A 316 -0.593 -5.725 -3.442 1.00 14.17 C ATOM 992 O PHE A 316 0.001 -4.708 -3.809 1.00 14.15 O ATOM 993 CB PHE A 316 -2.338 -5.076 -5.175 1.00 12.06 C ATOM 994 CG PHE A 316 -3.720 -5.310 -5.740 1.00 14.66 C ATOM 995 CD1 PHE A 316 -4.013 -6.479 -6.454 1.00 20.51 C ATOM 996 CD2 PHE A 316 -4.722 -4.370 -5.556 1.00 14.94 C ATOM 997 CE1 PHE A 316 -5.291 -6.713 -6.956 1.00 20.90 C ATOM 998 CE2 PHE A 316 -5.997 -4.601 -6.053 1.00 17.07 C ATOM 999 CZ PHE A 316 -6.279 -5.774 -6.747 1.00 15.65 C ATOM 1000 HA PHE A 316 -1.782 -7.071 -4.576 1.00 0.00 H ATOM 1001 HB2 PHE A 316 -2.311 -4.081 -4.731 1.00 0.00 H ATOM 1002 HB3 PHE A 316 -1.618 -5.128 -5.992 1.00 0.00 H ATOM 1003 HD2 PHE A 316 -4.508 -3.446 -5.019 1.00 0.00 H ATOM 1004 HE2 PHE A 316 -6.781 -3.860 -5.899 1.00 0.00 H ATOM 1005 HZ PHE A 316 -7.285 -5.951 -7.127 1.00 0.00 H ATOM 1006 HE1 PHE A 316 -5.508 -7.628 -7.508 1.00 0.00 H ATOM 1007 HD1 PHE A 316 -3.228 -7.217 -6.619 1.00 0.00 H ATOM 1008 H PHE A 316 -3.144 -5.510 -2.378 1.00 0.00 H ATOM 1009 N PRO A 317 -0.107 -6.554 -2.494 1.00 14.02 N ATOM 1010 CA PRO A 317 1.060 -6.174 -1.683 1.00 14.75 C ATOM 1011 C PRO A 317 2.369 -6.017 -2.455 1.00 16.94 C ATOM 1012 O PRO A 317 3.280 -5.337 -1.980 1.00 16.82 O ATOM 1013 CB PRO A 317 1.164 -7.317 -0.661 1.00 20.07 C ATOM 1014 CG PRO A 317 0.430 -8.463 -1.273 1.00 22.79 C ATOM 1015 CD PRO A 317 -0.692 -7.827 -2.032 1.00 17.08 C ATOM 1016 HA PRO A 317 0.916 -5.183 -1.252 1.00 0.00 H ATOM 1017 HD3 PRO A 317 -0.995 -8.447 -2.876 1.00 0.00 H ATOM 1018 HD2 PRO A 317 -1.551 -7.651 -1.385 1.00 0.00 H ATOM 1019 HG3 PRO A 317 0.045 -9.130 -0.502 1.00 0.00 H ATOM 1020 HG2 PRO A 317 1.081 -9.023 -1.944 1.00 0.00 H ATOM 1021 HB2 PRO A 317 2.207 -7.581 -0.488 1.00 0.00 H ATOM 1022 HB3 PRO A 317 0.702 -7.028 0.283 1.00 0.00 H ATOM 1023 N GLY A 318 2.439 -6.597 -3.654 1.00 15.79 N ATOM 1024 CA GLY A 318 3.634 -6.498 -4.486 1.00 21.14 C ATOM 1025 C GLY A 318 3.685 -5.267 -5.372 1.00 16.67 C ATOM 1026 O GLY A 318 4.601 -5.136 -6.167 1.00 17.50 O ATOM 1027 HA3 GLY A 318 3.678 -7.380 -5.125 1.00 0.00 H ATOM 1028 HA2 GLY A 318 4.505 -6.482 -3.831 1.00 0.00 H ATOM 1029 H GLY A 318 1.621 -7.134 -4.005 1.00 0.00 H ATOM 1030 N CYS A 319 2.699 -4.375 -5.260 1.00 17.61 N ATOM 1031 CA CYS A 319 2.640 -3.162 -6.094 1.00 17.06 C ATOM 1032 C CYS A 319 3.827 -2.253 -5.859 1.00 15.98 C ATOM 1033 O CYS A 319 4.120 -1.909 -4.720 1.00 14.87 O ATOM 1034 CB CYS A 319 1.376 -2.359 -5.814 1.00 15.84 C ATOM 1035 SG CYS A 319 1.244 -0.798 -6.735 1.00 15.14 S ATOM 1036 HA CYS A 319 2.646 -3.509 -7.127 1.00 0.00 H ATOM 1037 HB2 CYS A 319 1.350 -2.128 -4.749 1.00 0.00 H ATOM 1038 HB3 CYS A 319 0.517 -2.978 -6.071 1.00 0.00 H ATOM 1039 HG CYS A 319 0.064 -0.166 -6.399 1.00 0.00 H ATOM 1040 H CYS A 319 1.947 -4.542 -4.561 1.00 0.00 H ATOM 1041 N GLU A 320 4.474 -1.842 -6.943 1.00 17.36 N ATOM 1042 CA GLU A 320 5.688 -1.017 -6.864 1.00 23.35 C ATOM 1043 C GLU A 320 5.378 0.335 -6.242 1.00 19.64 C ATOM 1044 O GLU A 320 6.155 0.843 -5.431 1.00 18.38 O ATOM 1045 CB GLU A 320 6.294 -0.795 -8.250 1.00 29.54 C ATOM 1046 CG GLU A 320 6.679 -2.064 -9.006 1.00 45.78 C ATOM 1047 CD GLU A 320 7.959 -2.725 -8.503 1.00 71.02 C ATOM 1048 OE1 GLU A 320 8.757 -2.062 -7.802 1.00 99.99 O ATOM 1049 OE2 GLU A 320 8.178 -3.917 -8.823 1.00 68.60 O ATOM 1050 HA GLU A 320 6.404 -1.552 -6.241 1.00 0.00 H ATOM 1051 HB2 GLU A 320 5.566 -0.252 -8.853 1.00 0.00 H ATOM 1052 HB3 GLU A 320 7.192 -0.188 -8.132 1.00 0.00 H ATOM 1053 HG2 GLU A 320 5.863 -2.780 -8.911 1.00 0.00 H ATOM 1054 HG3 GLU A 320 6.815 -1.809 -10.057 1.00 0.00 H ATOM 1055 H GLU A 320 4.110 -2.113 -7.879 1.00 0.00 H ATOM 1056 N PHE A 321 4.243 0.913 -6.646 1.00 16.37 N ATOM 1057 CA PHE A 321 3.817 2.213 -6.137 1.00 15.15 C ATOM 1058 C PHE A 321 3.605 2.107 -4.627 1.00 15.07 C ATOM 1059 O PHE A 321 4.128 2.888 -3.838 1.00 15.98 O ATOM 1060 CB PHE A 321 2.529 2.658 -6.829 1.00 17.14 C ATOM 1061 CG PHE A 321 1.972 3.948 -6.303 1.00 16.03 C ATOM 1062 CD1 PHE A 321 2.639 5.145 -6.533 1.00 17.58 C ATOM 1063 CD2 PHE A 321 0.783 3.970 -5.572 1.00 15.96 C ATOM 1064 CE1 PHE A 321 2.121 6.356 -6.071 1.00 20.12 C ATOM 1065 CE2 PHE A 321 0.269 5.179 -5.094 1.00 14.40 C ATOM 1066 CZ PHE A 321 0.934 6.367 -5.354 1.00 19.22 C ATOM 1067 HA PHE A 321 4.585 2.958 -6.345 1.00 0.00 H ATOM 1068 HB2 PHE A 321 2.735 2.781 -7.892 1.00 0.00 H ATOM 1069 HB3 PHE A 321 1.779 1.879 -6.693 1.00 0.00 H ATOM 1070 HD2 PHE A 321 0.252 3.039 -5.373 1.00 0.00 H ATOM 1071 HE2 PHE A 321 -0.655 5.187 -4.516 1.00 0.00 H ATOM 1072 HZ PHE A 321 0.524 7.311 -4.995 1.00 0.00 H ATOM 1073 HE1 PHE A 321 2.647 7.289 -6.273 1.00 0.00 H ATOM 1074 HD1 PHE A 321 3.580 5.138 -7.082 1.00 0.00 H ATOM 1075 H PHE A 321 3.646 0.423 -7.343 1.00 0.00 H ATOM 1076 N LEU A 322 2.844 1.115 -4.229 1.00 14.43 N ATOM 1077 CA LEU A 322 2.567 0.939 -2.810 1.00 14.05 C ATOM 1078 C LEU A 322 3.865 0.840 -1.971 1.00 14.94 C ATOM 1079 O LEU A 322 3.978 1.451 -0.901 1.00 15.05 O ATOM 1080 CB LEU A 322 1.694 -0.295 -2.618 1.00 15.29 C ATOM 1081 CG LEU A 322 1.345 -0.672 -1.187 1.00 13.34 C ATOM 1082 CD1 LEU A 322 0.367 0.341 -0.574 1.00 12.34 C ATOM 1083 CD2 LEU A 322 0.736 -2.069 -1.199 1.00 15.81 C ATOM 1084 HA LEU A 322 2.034 1.820 -2.451 1.00 0.00 H ATOM 1085 HB2 LEU A 322 0.759 -0.124 -3.152 1.00 0.00 H ATOM 1086 HB3 LEU A 322 2.216 -1.141 -3.064 1.00 0.00 H ATOM 1087 HG LEU A 322 2.246 -0.662 -0.573 1.00 0.00 H ATOM 1088 HD21 LEU A 322 -0.162 -2.067 -1.817 1.00 0.00 H ATOM 1089 HD22 LEU A 322 1.458 -2.775 -1.608 1.00 0.00 H ATOM 1090 HD23 LEU A 322 0.478 -2.360 -0.181 1.00 0.00 H ATOM 1091 HD11 LEU A 322 0.824 1.331 -0.574 1.00 0.00 H ATOM 1092 HD12 LEU A 322 -0.549 0.362 -1.164 1.00 0.00 H ATOM 1093 HD13 LEU A 322 0.135 0.046 0.449 1.00 0.00 H ATOM 1094 H LEU A 322 2.440 0.456 -4.925 1.00 0.00 H ATOM 1095 N ILE A 323 4.837 0.081 -2.466 1.00 15.00 N ATOM 1096 CA ILE A 323 6.063 -0.180 -1.708 1.00 17.14 C ATOM 1097 C ILE A 323 6.898 1.094 -1.564 1.00 23.78 C ATOM 1098 O ILE A 323 7.465 1.343 -0.507 1.00 19.68 O ATOM 1099 CB ILE A 323 6.887 -1.335 -2.325 1.00 17.99 C ATOM 1100 CG1 ILE A 323 6.139 -2.671 -2.153 1.00 16.55 C ATOM 1101 CG2 ILE A 323 8.267 -1.434 -1.671 1.00 22.99 C ATOM 1102 CD1 ILE A 323 6.620 -3.788 -3.067 1.00 23.46 C ATOM 1103 HA ILE A 323 5.770 -0.501 -0.709 1.00 0.00 H ATOM 1104 HB ILE A 323 7.019 -1.125 -3.387 1.00 0.00 H ATOM 1105 HG12 ILE A 323 6.262 -2.999 -1.121 1.00 0.00 H ATOM 1106 HG13 ILE A 323 5.082 -2.498 -2.355 1.00 0.00 H ATOM 1107 HD11 ILE A 323 6.493 -3.485 -4.106 1.00 0.00 H ATOM 1108 HD12 ILE A 323 7.674 -3.987 -2.871 1.00 0.00 H ATOM 1109 HD13 ILE A 323 6.037 -4.689 -2.876 1.00 0.00 H ATOM 1110 HG21 ILE A 323 8.807 -0.499 -1.822 1.00 0.00 H ATOM 1111 HG22 ILE A 323 8.149 -1.619 -0.603 1.00 0.00 H ATOM 1112 HG23 ILE A 323 8.824 -2.254 -2.124 1.00 0.00 H ATOM 1113 H ILE A 323 4.725 -0.337 -3.412 1.00 0.00 H ATOM 1114 N ARG A 324 6.954 1.902 -2.622 1.00 18.27 N ATOM 1115 CA ARG A 324 7.712 3.143 -2.578 1.00 23.04 C ATOM 1116 C ARG A 324 6.995 4.325 -1.899 1.00 25.56 C ATOM 1117 O ARG A 324 7.591 5.393 -1.712 1.00 27.88 O ATOM 1118 CB ARG A 324 8.215 3.515 -3.980 1.00 24.62 C ATOM 1119 CG ARG A 324 7.192 4.121 -4.917 1.00 26.31 C ATOM 1120 CD ARG A 324 7.888 4.560 -6.197 1.00 33.03 C ATOM 1121 NE ARG A 324 6.970 5.169 -7.147 1.00 35.60 N ATOM 1122 CZ ARG A 324 6.433 4.534 -8.185 1.00 41.47 C ATOM 1123 NH1 ARG A 324 6.719 3.258 -8.413 1.00 37.75 N ATOM 1124 NH2 ARG A 324 5.604 5.180 -8.997 1.00 39.96 N ATOM 1125 HA ARG A 324 8.564 2.940 -1.928 1.00 0.00 H ATOM 1126 HB2 ARG A 324 9.026 4.233 -3.863 1.00 0.00 H ATOM 1127 HB3 ARG A 324 8.599 2.608 -4.448 1.00 0.00 H ATOM 1128 HG2 ARG A 324 6.428 3.380 -5.152 1.00 0.00 H ATOM 1129 HG3 ARG A 324 6.726 4.983 -4.440 1.00 0.00 H ATOM 1130 HD2 ARG A 324 8.347 3.688 -6.663 1.00 0.00 H ATOM 1131 HD3 ARG A 324 8.662 5.285 -5.944 1.00 0.00 H ATOM 1132 HE ARG A 324 6.717 6.168 -7.005 1.00 0.00 H ATOM 1133 HH12 ARG A 324 6.296 2.768 -9.226 1.00 0.00 H ATOM 1134 HH11 ARG A 324 7.366 2.749 -7.778 1.00 0.00 H ATOM 1135 HH22 ARG A 324 5.182 4.687 -9.810 1.00 0.00 H ATOM 1136 HH21 ARG A 324 5.377 6.179 -8.820 1.00 0.00 H ATOM 1137 H ARG A 324 6.448 1.642 -3.493 1.00 0.00 H ATOM 1138 N MET A 325 5.727 4.140 -1.547 1.00 16.84 N ATOM 1139 CA MET A 325 4.961 5.150 -0.816 1.00 15.70 C ATOM 1140 C MET A 325 4.839 4.805 0.667 1.00 14.44 C ATOM 1141 O MET A 325 5.167 5.621 1.524 1.00 14.87 O ATOM 1142 CB MET A 325 3.560 5.314 -1.422 1.00 16.69 C ATOM 1143 CG MET A 325 3.535 5.881 -2.834 1.00 19.53 C ATOM 1144 SD MET A 325 4.123 7.586 -2.957 1.00 24.15 S ATOM 1145 CE MET A 325 5.773 7.389 -3.624 1.00 25.30 C ATOM 1146 HA MET A 325 5.506 6.090 -0.905 1.00 0.00 H ATOM 1147 HB2 MET A 325 3.082 4.334 -1.442 1.00 0.00 H ATOM 1148 HB3 MET A 325 2.988 5.983 -0.778 1.00 0.00 H ATOM 1149 HG2 MET A 325 2.509 5.846 -3.199 1.00 0.00 H ATOM 1150 HG3 MET A 325 4.165 5.255 -3.465 1.00 0.00 H ATOM 1151 HE1 MET A 325 6.370 6.786 -2.940 1.00 0.00 H ATOM 1152 HE2 MET A 325 5.715 6.893 -4.593 1.00 0.00 H ATOM 1153 HE3 MET A 325 6.235 8.369 -3.744 1.00 0.00 H ATOM 1154 H MET A 325 5.262 3.245 -1.800 1.00 0.00 H ATOM 1155 N LYS A 326 4.362 3.598 0.972 1.00 16.38 N ATOM 1156 CA LYS A 326 4.119 3.205 2.365 1.00 16.21 C ATOM 1157 C LYS A 326 5.263 2.412 2.985 1.00 16.23 C ATOM 1158 O LYS A 326 5.413 2.406 4.213 1.00 16.08 O ATOM 1159 CB LYS A 326 2.790 2.429 2.513 1.00 17.55 C ATOM 1160 CG LYS A 326 1.506 3.250 2.350 1.00 21.00 C ATOM 1161 CD LYS A 326 1.308 4.238 3.497 1.00 15.51 C ATOM 1162 CE LYS A 326 -0.131 4.701 3.641 1.00 20.06 C ATOM 1163 NZ LYS A 326 -0.274 5.837 4.595 1.00 23.24 N ATOM 1164 HA LYS A 326 4.049 4.141 2.919 1.00 0.00 H ATOM 1165 HB2 LYS A 326 2.779 1.641 1.760 1.00 0.00 H ATOM 1166 HB3 LYS A 326 2.775 1.981 3.507 1.00 0.00 H ATOM 1167 HG2 LYS A 326 1.559 3.804 1.413 1.00 0.00 H ATOM 1168 HG3 LYS A 326 0.655 2.570 2.320 1.00 0.00 H ATOM 1169 HD2 LYS A 326 1.613 3.757 4.426 1.00 0.00 H ATOM 1170 HD3 LYS A 326 1.937 5.110 3.317 1.00 0.00 H ATOM 1171 HE2 LYS A 326 -0.733 3.866 3.999 1.00 0.00 H ATOM 1172 HE3 LYS A 326 -0.496 5.017 2.664 1.00 0.00 H ATOM 1173 HZ1 LYS A 326 0.064 5.544 5.534 1.00 0.00 H ATOM 1174 HZ2 LYS A 326 0.290 6.644 4.259 1.00 0.00 H ATOM 1175 HZ3 LYS A 326 -1.275 6.113 4.656 1.00 0.00 H ATOM 1176 H LYS A 326 4.158 2.922 0.208 1.00 0.00 H ATOM 1177 N GLY A 327 6.075 1.750 2.155 1.00 16.32 N ATOM 1178 CA GLY A 327 7.142 0.889 2.663 1.00 15.44 C ATOM 1179 C GLY A 327 6.678 -0.527 3.006 1.00 14.66 C ATOM 1180 O GLY A 327 5.471 -0.798 3.180 1.00 14.23 O ATOM 1181 HA3 GLY A 327 7.553 1.345 3.564 1.00 0.00 H ATOM 1182 HA2 GLY A 327 7.921 0.822 1.904 1.00 0.00 H ATOM 1183 H GLY A 327 5.945 1.849 1.128 1.00 0.00 H ATOM 1184 N GLN A 328 7.640 -1.440 3.115 1.00 15.47 N ATOM 1185 CA GLN A 328 7.320 -2.844 3.337 1.00 15.98 C ATOM 1186 C GLN A 328 6.795 -3.119 4.739 1.00 17.06 C ATOM 1187 O GLN A 328 5.918 -3.968 4.913 1.00 16.96 O ATOM 1188 CB GLN A 328 8.520 -3.744 3.007 1.00 17.06 C ATOM 1189 CG GLN A 328 8.209 -5.233 2.983 1.00 18.10 C ATOM 1190 CD GLN A 328 7.159 -5.606 1.947 1.00 17.75 C ATOM 1191 OE1 GLN A 328 6.194 -6.298 2.260 1.00 20.71 O ATOM 1192 NE2 GLN A 328 7.363 -5.175 0.696 1.00 15.10 N ATOM 1193 HA GLN A 328 6.508 -3.088 2.652 1.00 0.00 H ATOM 1194 HB2 GLN A 328 8.898 -3.460 2.025 1.00 0.00 H ATOM 1195 HB3 GLN A 328 9.292 -3.570 3.757 1.00 0.00 H ATOM 1196 HG2 GLN A 328 9.127 -5.776 2.758 1.00 0.00 H ATOM 1197 HG3 GLN A 328 7.846 -5.528 3.967 1.00 0.00 H ATOM 1198 HE22 GLN A 328 8.195 -4.591 0.476 1.00 0.00 H ATOM 1199 HE21 GLN A 328 6.690 -5.425 -0.056 1.00 0.00 H ATOM 1200 H GLN A 328 8.635 -1.147 3.041 1.00 0.00 H ATOM 1201 N GLU A 329 7.292 -2.399 5.740 1.00 17.08 N ATOM 1202 CA GLU A 329 6.844 -2.655 7.112 1.00 21.93 C ATOM 1203 C GLU A 329 5.336 -2.417 7.237 1.00 19.29 C ATOM 1204 O GLU A 329 4.633 -3.163 7.914 1.00 16.34 O ATOM 1205 CB GLU A 329 7.613 -1.788 8.109 1.00 29.76 C ATOM 1206 CG GLU A 329 7.577 -2.305 9.537 1.00 42.59 C ATOM 1207 CD GLU A 329 8.693 -3.291 9.840 1.00 48.66 C ATOM 1208 OE1 GLU A 329 9.530 -3.556 8.949 1.00 63.64 O ATOM 1209 OE2 GLU A 329 8.743 -3.797 10.980 1.00 70.24 O ATOM 1210 HA GLU A 329 7.049 -3.699 7.347 1.00 0.00 H ATOM 1211 HB2 GLU A 329 8.654 -1.738 7.789 1.00 0.00 H ATOM 1212 HB3 GLU A 329 7.182 -0.787 8.096 1.00 0.00 H ATOM 1213 HG2 GLU A 329 7.668 -1.457 10.216 1.00 0.00 H ATOM 1214 HG3 GLU A 329 6.621 -2.801 9.703 1.00 0.00 H ATOM 1215 H GLU A 329 7.996 -1.657 5.550 1.00 0.00 H ATOM 1216 N TYR A 330 4.845 -1.387 6.551 1.00 16.34 N ATOM 1217 CA TYR A 330 3.431 -1.047 6.581 1.00 15.97 C ATOM 1218 C TYR A 330 2.631 -2.227 6.031 1.00 14.02 C ATOM 1219 O TYR A 330 1.646 -2.658 6.631 1.00 15.36 O ATOM 1220 CB TYR A 330 3.181 0.237 5.776 1.00 15.35 C ATOM 1221 CG TYR A 330 1.724 0.579 5.598 1.00 16.23 C ATOM 1222 CD1 TYR A 330 0.992 0.042 4.532 1.00 18.66 C ATOM 1223 CD2 TYR A 330 1.064 1.420 6.496 1.00 16.56 C ATOM 1224 CE1 TYR A 330 -0.354 0.329 4.365 1.00 18.25 C ATOM 1225 CE2 TYR A 330 -0.284 1.712 6.328 1.00 21.62 C ATOM 1226 CZ TYR A 330 -0.983 1.163 5.268 1.00 21.77 C ATOM 1227 OH TYR A 330 -2.329 1.438 5.087 1.00 24.47 O ATOM 1228 HA TYR A 330 3.108 -0.855 7.604 1.00 0.00 H ATOM 1229 HB3 TYR A 330 3.627 0.115 4.789 1.00 0.00 H ATOM 1230 HB2 TYR A 330 3.666 1.065 6.293 1.00 0.00 H ATOM 1231 HD2 TYR A 330 1.610 1.851 7.335 1.00 0.00 H ATOM 1232 HE2 TYR A 330 -0.790 2.373 7.031 1.00 0.00 H ATOM 1233 HE1 TYR A 330 -0.909 -0.099 3.530 1.00 0.00 H ATOM 1234 HD1 TYR A 330 1.490 -0.615 3.819 1.00 0.00 H ATOM 1235 HH TYR A 330 -2.452 2.413 4.967 1.00 0.00 H ATOM 1236 H TYR A 330 5.491 -0.809 5.977 1.00 0.00 H ATOM 1237 N ILE A 331 3.068 -2.731 4.882 1.00 11.42 N ATOM 1238 CA ILE A 331 2.422 -3.844 4.222 1.00 13.38 C ATOM 1239 C ILE A 331 2.440 -5.089 5.106 1.00 14.07 C ATOM 1240 O ILE A 331 1.403 -5.750 5.266 1.00 14.04 O ATOM 1241 CB ILE A 331 3.059 -4.118 2.860 1.00 12.40 C ATOM 1242 CG1 ILE A 331 2.977 -2.841 2.008 1.00 13.38 C ATOM 1243 CG2 ILE A 331 2.357 -5.289 2.187 1.00 12.15 C ATOM 1244 CD1 ILE A 331 3.740 -2.941 0.708 1.00 12.33 C ATOM 1245 HA ILE A 331 1.380 -3.576 4.050 1.00 0.00 H ATOM 1246 HB ILE A 331 4.108 -4.389 2.978 1.00 0.00 H ATOM 1247 HG12 ILE A 331 1.930 -2.643 1.781 1.00 0.00 H ATOM 1248 HG13 ILE A 331 3.385 -2.012 2.586 1.00 0.00 H ATOM 1249 HD11 ILE A 331 4.793 -3.129 0.920 1.00 0.00 H ATOM 1250 HD12 ILE A 331 3.336 -3.760 0.113 1.00 0.00 H ATOM 1251 HD13 ILE A 331 3.640 -2.006 0.157 1.00 0.00 H ATOM 1252 HG21 ILE A 331 2.451 -6.176 2.814 1.00 0.00 H ATOM 1253 HG22 ILE A 331 1.303 -5.049 2.050 1.00 0.00 H ATOM 1254 HG23 ILE A 331 2.817 -5.478 1.217 1.00 0.00 H ATOM 1255 H ILE A 331 3.909 -2.308 4.439 1.00 0.00 H ATOM 1256 N ASN A 332 3.596 -5.387 5.696 1.00 14.28 N ATOM 1257 CA ASN A 332 3.724 -6.526 6.626 1.00 15.02 C ATOM 1258 C ASN A 332 2.711 -6.447 7.747 1.00 17.57 C ATOM 1259 O ASN A 332 2.075 -7.449 8.072 1.00 17.73 O ATOM 1260 CB ASN A 332 5.119 -6.637 7.245 1.00 15.80 C ATOM 1261 CG ASN A 332 6.198 -6.888 6.229 1.00 15.97 C ATOM 1262 OD1 ASN A 332 5.931 -7.173 5.054 1.00 15.59 O ATOM 1263 ND2 ASN A 332 7.445 -6.793 6.683 1.00 15.93 N ATOM 1264 HA ASN A 332 3.541 -7.412 6.018 1.00 0.00 H ATOM 1265 HB2 ASN A 332 5.343 -5.706 7.766 1.00 0.00 H ATOM 1266 HB3 ASN A 332 5.117 -7.460 7.960 1.00 0.00 H ATOM 1267 HD22 ASN A 332 7.619 -6.551 7.679 1.00 0.00 H ATOM 1268 HD21 ASN A 332 8.246 -6.961 6.042 1.00 0.00 H ATOM 1269 H ASN A 332 4.432 -4.801 5.496 1.00 0.00 H ATOM 1270 N ASN A 333 2.561 -5.252 8.323 1.00 17.91 N ATOM 1271 CA ASN A 333 1.628 -5.041 9.423 1.00 19.88 C ATOM 1272 C ASN A 333 0.162 -5.263 9.022 1.00 14.97 C ATOM 1273 O ASN A 333 -0.606 -5.795 9.815 1.00 15.88 O ATOM 1274 CB ASN A 333 1.813 -3.649 10.057 1.00 22.46 C ATOM 1275 CG ASN A 333 3.082 -3.537 10.910 1.00 32.78 C ATOM 1276 OD1 ASN A 333 3.511 -2.430 11.249 1.00 37.25 O ATOM 1277 ND2 ASN A 333 3.686 -4.670 11.254 1.00 30.20 N ATOM 1278 HA ASN A 333 1.868 -5.799 10.169 1.00 0.00 H ATOM 1279 HB2 ASN A 333 1.866 -2.909 9.259 1.00 0.00 H ATOM 1280 HB3 ASN A 333 0.951 -3.439 10.690 1.00 0.00 H ATOM 1281 HD22 ASN A 333 3.292 -5.583 10.948 1.00 0.00 H ATOM 1282 HD21 ASN A 333 4.552 -4.644 11.829 1.00 0.00 H ATOM 1283 H ASN A 333 3.125 -4.450 7.977 1.00 0.00 H ATOM 1284 N ILE A 334 -0.216 -4.876 7.801 1.00 15.65 N ATOM 1285 CA ILE A 334 -1.583 -5.130 7.303 1.00 17.14 C ATOM 1286 C ILE A 334 -1.925 -6.633 7.351 1.00 17.50 C ATOM 1287 O ILE A 334 -3.040 -7.012 7.709 1.00 15.99 O ATOM 1288 CB ILE A 334 -1.799 -4.568 5.863 1.00 15.55 C ATOM 1289 CG1 ILE A 334 -1.663 -3.037 5.853 1.00 15.91 C ATOM 1290 CG2 ILE A 334 -3.143 -5.004 5.281 1.00 14.58 C ATOM 1291 CD1 ILE A 334 -2.517 -2.309 6.870 1.00 17.53 C ATOM 1292 HA ILE A 334 -2.262 -4.598 7.969 1.00 0.00 H ATOM 1293 HB ILE A 334 -1.021 -4.986 5.225 1.00 0.00 H ATOM 1294 HG12 ILE A 334 -0.620 -2.789 6.049 1.00 0.00 H ATOM 1295 HG13 ILE A 334 -1.940 -2.680 4.861 1.00 0.00 H ATOM 1296 HD11 ILE A 334 -3.568 -2.530 6.685 1.00 0.00 H ATOM 1297 HD12 ILE A 334 -2.246 -2.639 7.873 1.00 0.00 H ATOM 1298 HD13 ILE A 334 -2.349 -1.236 6.782 1.00 0.00 H ATOM 1299 HG21 ILE A 334 -3.181 -6.092 5.234 1.00 0.00 H ATOM 1300 HG22 ILE A 334 -3.949 -4.638 5.917 1.00 0.00 H ATOM 1301 HG23 ILE A 334 -3.254 -4.592 4.278 1.00 0.00 H ATOM 1302 H ILE A 334 0.466 -4.386 7.188 1.00 0.00 H ATOM 1303 N HIS A 335 -0.951 -7.479 7.019 1.00 14.66 N ATOM 1304 CA HIS A 335 -1.172 -8.923 6.921 1.00 15.76 C ATOM 1305 C HIS A 335 -0.924 -9.625 8.220 1.00 16.81 C ATOM 1306 O HIS A 335 -1.206 -10.826 8.369 1.00 15.61 O ATOM 1307 CB HIS A 335 -0.301 -9.501 5.819 1.00 13.77 C ATOM 1308 CG HIS A 335 -0.745 -9.105 4.434 1.00 14.19 C ATOM 1309 ND1 HIS A 335 -1.492 -9.914 3.659 1.00 15.30 N ATOM 1310 CD2 HIS A 335 -0.544 -7.930 3.701 1.00 13.19 C ATOM 1311 CE1 HIS A 335 -1.762 -9.301 2.484 1.00 12.61 C ATOM 1312 NE2 HIS A 335 -1.192 -8.083 2.510 1.00 13.89 N ATOM 1313 HA HIS A 335 -2.221 -9.084 6.675 1.00 0.00 H ATOM 1314 HB2 HIS A 335 0.721 -9.152 5.967 1.00 0.00 H ATOM 1315 HB3 HIS A 335 -0.327 -10.588 5.893 1.00 0.00 H ATOM 1316 HD2 HIS A 335 0.024 -7.056 4.021 1.00 0.00 H ATOM 1317 HE1 HIS A 335 -2.340 -9.720 1.661 1.00 0.00 H ATOM 1318 H HIS A 335 -0.002 -7.101 6.823 1.00 0.00 H ATOM 1319 N LEU A 336 -0.409 -8.887 9.196 1.00 15.79 N ATOM 1320 CA LEU A 336 -0.219 -9.448 10.531 1.00 18.75 C ATOM 1321 C LEU A 336 -1.552 -9.812 11.190 1.00 19.90 C ATOM 1322 O LEU A 336 -1.614 -10.769 11.962 1.00 23.49 O ATOM 1323 CB LEU A 336 0.565 -8.481 11.419 1.00 18.31 C ATOM 1324 CG LEU A 336 0.778 -8.853 12.885 1.00 25.39 C ATOM 1325 CD1 LEU A 336 1.631 -10.108 12.987 1.00 33.21 C ATOM 1326 CD2 LEU A 336 1.429 -7.692 13.621 1.00 23.19 C ATOM 1327 HA LEU A 336 0.357 -10.366 10.416 1.00 0.00 H ATOM 1328 HB2 LEU A 336 1.551 -8.358 10.971 1.00 0.00 H ATOM 1329 HB3 LEU A 336 0.038 -7.527 11.401 1.00 0.00 H ATOM 1330 HG LEU A 336 -0.186 -9.059 13.349 1.00 0.00 H ATOM 1331 HD21 LEU A 336 2.392 -7.466 13.162 1.00 0.00 H ATOM 1332 HD22 LEU A 336 0.782 -6.817 13.561 1.00 0.00 H ATOM 1333 HD23 LEU A 336 1.578 -7.964 14.666 1.00 0.00 H ATOM 1334 HD11 LEU A 336 1.128 -10.930 12.478 1.00 0.00 H ATOM 1335 HD12 LEU A 336 2.599 -9.927 12.519 1.00 0.00 H ATOM 1336 HD13 LEU A 336 1.776 -10.363 14.037 1.00 0.00 H ATOM 1337 H LEU A 336 -0.138 -7.901 9.008 1.00 0.00 H ATOM 1338 N THR A 337 -2.599 -9.039 10.909 1.00 21.33 N ATOM 1339 CA THR A 337 -3.920 -9.254 11.523 1.00 27.58 C ATOM 1340 C THR A 337 -5.072 -9.320 10.518 1.00 31.62 C ATOM 1341 O THR A 337 -6.142 -9.840 10.842 1.00 34.37 O ATOM 1342 CB THR A 337 -4.293 -8.145 12.539 1.00 29.58 C ATOM 1343 OG1 THR A 337 -4.425 -6.896 11.855 1.00 30.61 O ATOM 1344 CG2 THR A 337 -3.259 -8.015 13.640 1.00 23.98 C ATOM 1345 HA THR A 337 -3.806 -10.219 12.016 1.00 0.00 H ATOM 1346 HB THR A 337 -5.239 -8.422 13.004 1.00 0.00 H ATOM 1347 HG1 THR A 337 -4.663 -6.189 12.505 1.00 0.00 H ATOM 1348 HG23 THR A 337 -3.161 -8.968 14.159 1.00 0.00 H ATOM 1349 HG21 THR A 337 -2.299 -7.737 13.204 1.00 0.00 H ATOM 1350 HG22 THR A 337 -3.576 -7.247 14.345 1.00 0.00 H ATOM 1351 H THR A 337 -2.480 -8.257 10.233 1.00 0.00 H ATOM 1352 N HIS A 338 -4.856 -8.778 9.319 1.00 27.82 N ATOM 1353 CA HIS A 338 -5.902 -8.625 8.308 1.00 27.02 C ATOM 1354 C HIS A 338 -7.115 -7.910 8.861 1.00 33.35 C ATOM 1355 O HIS A 338 -8.211 -7.976 8.296 1.00 37.73 O ATOM 1356 CB HIS A 338 -6.264 -9.977 7.698 1.00 30.63 C ATOM 1357 CG HIS A 338 -5.090 -10.690 7.047 1.00 26.69 C ATOM 1358 ND1 HIS A 338 -4.456 -11.730 7.630 1.00 30.69 N ATOM 1359 CD2 HIS A 338 -4.455 -10.477 5.822 1.00 26.32 C ATOM 1360 CE1 HIS A 338 -3.476 -12.167 6.819 1.00 24.54 C ATOM 1361 NE2 HIS A 338 -3.471 -11.391 5.717 1.00 24.73 N ATOM 1362 HA HIS A 338 -5.508 -7.996 7.509 1.00 0.00 H ATOM 1363 HB2 HIS A 338 -6.660 -10.616 8.488 1.00 0.00 H ATOM 1364 HB3 HIS A 338 -7.033 -9.818 6.942 1.00 0.00 H ATOM 1365 HD2 HIS A 338 -4.708 -9.713 5.087 1.00 0.00 H ATOM 1366 HE1 HIS A 338 -2.804 -13.002 7.018 1.00 0.00 H ATOM 1367 H HIS A 338 -3.896 -8.448 9.091 1.00 0.00 H TER 1368 HIS A 338 HETATM 1369 ZN ZN A 1 -1.061 -0.780 -7.116 1.00 14.26 ZN HETATM 1370 ZN ZN A 2 -2.197 -11.797 4.148 1.00 18.52 ZN HETATM 1371 O HOH 3 6.593 0.875 6.178 1.00 15.08 O HETATM 1372 O HOH 4 3.913 4.051 6.149 1.00 16.81 O HETATM 1373 O HOH 5 5.395 -6.363 -0.721 1.00 20.51 O HETATM 1374 O HOH 6 -9.615 -1.024 4.814 1.00 19.95 O HETATM 1375 O HOH 7 -3.193 -12.181 2.425 1.00 20.26 O HETATM 1376 O HOH 8 -16.290 10.743 -13.249 1.00 22.12 O HETATM 1377 O HOH 9 2.669 -10.081 7.743 1.00 21.70 O HETATM 1378 O HOH 10 -19.631 0.412 -2.212 1.00 26.93 O HETATM 1379 O HOH 11 -10.657 5.933 -16.483 1.00 27.68 O HETATM 1380 O HOH 12 -12.315 8.045 1.754 1.00 25.48 O HETATM 1381 O HOH 13 3.380 -2.114 -9.608 1.00 22.84 O HETATM 1382 O HOH 14 -25.103 6.837 -5.258 1.00 27.08 O HETATM 1383 O HOH 15 10.335 1.274 -0.066 1.00 23.80 O HETATM 1384 O HOH 16 9.730 -4.862 -0.346 1.00 23.70 O HETATM 1385 O HOH 17 -1.664 6.226 -18.510 1.00 28.08 O HETATM 1386 O HOH 18 -18.099 0.892 -20.097 1.00 25.60 O HETATM 1387 O HOH 19 -7.570 17.262 -10.618 1.00 29.02 O HETATM 1388 O HOH 20 -17.884 -5.592 -0.028 1.00 28.76 O HETATM 1389 O HOH 21 -7.071 -12.189 12.008 1.00 38.71 O HETATM 1390 O HOH 22 -4.462 -12.719 9.965 1.00 39.07 O HETATM 1391 O HOH 23 5.659 1.432 8.704 1.00 29.38 O HETATM 1392 O HOH 24 -12.936 14.633 -8.580 1.00 22.85 O HETATM 1393 O HOH 25 -18.748 -3.702 -11.736 1.00 29.67 O HETATM 1394 O HOH 26 1.160 9.891 -6.955 1.00 27.11 O HETATM 1395 O HOH 27 -2.079 -13.144 13.136 1.00 28.87 O HETATM 1396 O HOH 28 -7.772 -6.664 -10.243 1.00 29.28 O HETATM 1397 O HOH 29 -7.874 -4.724 9.562 1.00 25.32 O HETATM 1398 O HOH 30 8.891 0.057 -5.276 1.00 23.28 O HETATM 1399 O HOH 31 0.692 -8.359 -5.211 1.00 28.66 O HETATM 1400 O HOH 32 1.400 5.105 6.724 1.00 24.31 O HETATM 1401 O HOH 33 9.295 0.489 6.053 1.00 26.92 O HETATM 1402 O HOH 34 -21.816 2.071 -1.766 1.00 29.99 O HETATM 1403 O HOH 35 -5.489 15.571 -0.384 1.00 38.44 O HETATM 1404 O HOH 36 7.697 -6.256 9.542 1.00 32.79 O HETATM 1405 O HOH 37 -5.446 -10.112 -4.798 1.00 29.12 O HETATM 1406 O HOH 38 10.720 5.947 -7.642 1.00 34.89 O HETATM 1407 O HOH 39 -1.064 5.657 -15.607 1.00 32.95 O HETATM 1408 O HOH 40 -5.849 -12.883 -1.292 1.00 25.68 O HETATM 1409 O HOH 41 -24.180 9.673 -7.277 1.00 27.78 O HETATM 1410 O HOH 42 -7.767 -9.312 -9.172 1.00 34.37 O HETATM 1411 O HOH 43 1.315 12.604 -7.719 1.00 25.20 O HETATM 1412 O HOH 44 -0.375 10.063 -4.138 1.00 33.49 O HETATM 1413 O HOH 45 -20.582 12.355 -5.621 1.00 35.71 O HETATM 1414 O HOH 46 10.304 -6.795 5.239 1.00 33.09 O HETATM 1415 O HOH 47 -22.258 2.356 -13.314 1.00 31.27 O HETATM 1416 O HOH 48 -4.116 0.807 -14.572 1.00 28.77 O HETATM 1417 O HOH 49 4.810 2.504 -10.749 1.00 36.00 O HETATM 1418 O HOH 50 10.039 -0.699 1.986 1.00 26.34 O HETATM 1419 O HOH 51 -20.375 -0.304 -18.839 1.00 33.21 O HETATM 1420 O HOH 52 -5.008 -5.483 8.865 1.00 31.31 O HETATM 1421 O HOH 53 -13.925 7.409 4.083 1.00 38.37 O HETATM 1422 O HOH 54 -21.112 6.528 -12.048 1.00 30.33 O HETATM 1423 O HOH 55 -3.693 2.982 6.333 1.00 41.77 O HETATM 1424 N MAA A 56 -13.059 -3.692 0.595 1.00 0.24 N HETATM 1425 CM MAA A 56 -14.198 -4.387 1.255 1.00 -0.04 C HETATM 1426 H3 MAA A 56 -14.085 -4.321 2.347 1.00 0.08 H HETATM 1427 H4 MAA A 56 -14.208 -5.444 0.951 1.00 0.08 H HETATM 1428 H5 MAA A 56 -15.143 -3.910 0.955 1.00 0.08 H HETATM 1429 CA MAA A 56 -13.132 -3.733 -0.886 1.00 0.06 C HETATM 1430 CB MAA A 56 -12.223 -2.683 -1.526 1.00 -0.00 C HETATM 1431 H7 MAA A 56 -12.305 -2.745 -2.621 1.00 0.03 H HETATM 1432 H8 MAA A 56 -11.181 -2.868 -1.226 1.00 0.03 H HETATM 1433 H9 MAA A 56 -12.529 -1.681 -1.192 1.00 0.03 H HETATM 1434 C MAA A 56 -12.760 -5.116 -1.348 1.00 0.23 C HETATM 1435 O MAA A 56 -12.192 -5.882 -0.594 1.00 -0.39 O HETATM 1436 N MAA A 56 -13.114 -5.459 -2.596 1.00 -0.26 N HETATM 1437 CA MAA A 56 -12.914 -6.775 -3.204 1.00 0.13 C HETATM 1438 C MAA A 56 -12.231 -6.603 -4.520 1.00 0.21 C HETATM 1439 O MAA A 56 -12.638 -5.770 -5.302 1.00 -0.39 O HETATM 1440 N MAA A 56 -11.210 -7.401 -4.876 1.00 -0.25 N HETATM 1441 CA MAA A 56 -10.527 -7.267 -6.148 1.00 0.14 C HETATM 1442 C MAA A 56 -11.346 -7.712 -7.316 1.00 0.25 C HETATM 1443 O MAA A 56 -12.232 -8.553 -7.190 1.00 -0.37 O HETATM 1444 N25 MAA A 56 -11.025 -7.118 -8.483 1.00 -0.19 N HETATM 1445 C26 MAA A 56 -11.593 -7.494 -9.684 1.00 0.20 C HETATM 1446 C27 MAA A 56 -11.987 -6.814 -10.829 1.00 0.11 C HETATM 1447 N28 MAA A 56 -12.435 -7.606 -11.806 1.00 -0.21 N HETATM 1448 N29 MAA A 56 -12.432 -8.875 -11.607 1.00 -0.16 N HETATM 1449 S30 MAA A 56 -11.804 -9.163 -10.039 1.00 0.09 S HETATM 1450 C31 MAA A 56 -11.966 -5.340 -11.008 1.00 -0.03 C HETATM 1451 C32 MAA A 56 -12.448 -4.481 -10.014 1.00 -0.07 C HETATM 1452 C33 MAA A 56 -12.421 -3.115 -10.234 1.00 -0.07 C HETATM 1453 C34 MAA A 56 -11.927 -2.599 -11.431 1.00 -0.07 C HETATM 1454 C35 MAA A 56 -11.449 -3.445 -12.420 1.00 -0.07 C HETATM 1455 C36 MAA A 56 -11.478 -4.818 -12.214 1.00 -0.07 C HETATM 1456 H35 MAA A 56 -11.122 -5.488 -12.988 1.00 0.05 H HETATM 1457 H34 MAA A 56 -11.056 -3.039 -13.345 1.00 0.06 H HETATM 1458 H33 MAA A 56 -11.916 -1.527 -11.590 1.00 0.05 H HETATM 1459 H32 MAA A 56 -12.787 -2.440 -9.469 1.00 0.06 H HETATM 1460 H31 MAA A 56 -12.837 -4.880 -9.084 1.00 0.05 H HETATM 1461 H30 MAA A 56 -10.351 -6.379 -8.479 1.00 0.25 H HETATM 1462 CB MAA A 56 -9.275 -8.183 -6.123 1.00 -0.01 C HETATM 1463 CG MAA A 56 -9.127 -8.607 -4.638 1.00 -0.03 C HETATM 1464 CD MAA A 56 -10.570 -8.469 -4.088 1.00 0.04 C HETATM 1465 H28 MAA A 56 -11.117 -9.415 -4.212 1.00 0.05 H HETATM 1466 H29 MAA A 56 -10.547 -8.196 -3.023 1.00 0.05 H HETATM 1467 H26 MAA A 56 -8.435 -7.939 -4.104 1.00 0.03 H HETATM 1468 H27 MAA A 56 -8.771 -9.645 -4.557 1.00 0.03 H HETATM 1469 H24 MAA A 56 -8.384 -7.632 -6.460 1.00 0.03 H HETATM 1470 H25 MAA A 56 -9.426 -9.064 -6.765 1.00 0.03 H HETATM 1471 H23 MAA A 56 -10.233 -6.216 -6.288 1.00 0.08 H HETATM 1472 C1 MAA A 56 -14.300 -7.402 -3.499 1.00 -0.00 C HETATM 1473 C2 MAA A 56 -15.220 -7.358 -2.253 1.00 -0.05 C HETATM 1474 C3 MAA A 56 -14.778 -8.365 -1.170 1.00 -0.05 C HETATM 1475 C4 MAA A 56 -14.702 -9.787 -1.740 1.00 -0.05 C HETATM 1476 C5 MAA A 56 -15.027 -9.815 -3.235 1.00 -0.05 C HETATM 1477 C6 MAA A 56 -14.157 -8.839 -4.031 1.00 -0.05 C HETATM 1478 H21 MAA A 56 -13.105 -9.148 -3.949 1.00 0.03 H HETATM 1479 H22 MAA A 56 -14.465 -8.863 -5.087 1.00 0.03 H HETATM 1480 H19 MAA A 56 -16.084 -9.543 -3.374 1.00 0.03 H HETATM 1481 H20 MAA A 56 -14.858 -10.833 -3.616 1.00 0.03 H HETATM 1482 H17 MAA A 56 -15.423 -10.424 -1.206 1.00 0.03 H HETATM 1483 H18 MAA A 56 -13.685 -10.178 -1.589 1.00 0.03 H HETATM 1484 H15 MAA A 56 -15.504 -8.347 -0.344 1.00 0.03 H HETATM 1485 H16 MAA A 56 -13.786 -8.075 -0.793 1.00 0.03 H HETATM 1486 H13 MAA A 56 -16.248 -7.598 -2.562 1.00 0.03 H HETATM 1487 H14 MAA A 56 -15.192 -6.344 -1.827 1.00 0.03 H HETATM 1488 H12 MAA A 56 -14.777 -6.800 -4.287 1.00 0.03 H HETATM 1489 H11 MAA A 56 -12.324 -7.421 -2.538 1.00 0.08 H HETATM 1490 H10 MAA A 56 -13.551 -4.756 -3.158 1.00 0.19 H HETATM 1491 H6 MAA A 56 -14.167 -3.524 -1.193 1.00 0.11 H HETATM 1492 H1 MAA A 56 -12.201 -4.134 0.886 1.00 0.20 H HETATM 1493 H2 MAA A 56 -13.057 -2.728 0.889 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 639 638 643 1369 CONECT 681 680 685 1369 CONECT 926 924 925 1369 CONECT 1035 1034 1039 1369 CONECT 1309 1308 1311 1370 CONECT 1361 1359 1360 1370 CONECT 1369 639 681 926 1035 CONECT 1370 1309 1361 CONECT 1424 1425 1429 1492 1493 CONECT 1425 1424 1426 1427 1428 CONECT 1426 1425 CONECT 1427 1425 CONECT 1428 1425 CONECT 1429 1424 1430 1434 1491 CONECT 1430 1429 1431 1432 1433 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1430 CONECT 1434 1429 1435 1436 CONECT 1435 1434 CONECT 1436 1434 1437 1490 CONECT 1437 1436 1438 1472 1489 CONECT 1438 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 1441 1464 CONECT 1441 1440 1442 1462 1471 CONECT 1442 1441 1443 1444 CONECT 1443 1442 CONECT 1444 1442 1445 1461 CONECT 1445 1444 1446 1449 CONECT 1446 1445 1447 1450 CONECT 1447 1446 1448 CONECT 1448 1447 1449 CONECT 1449 1445 1448 CONECT 1450 1446 1451 1455 CONECT 1451 1450 1452 1460 CONECT 1452 1451 1453 1459 CONECT 1453 1452 1454 1458 CONECT 1454 1453 1455 1457 CONECT 1455 1450 1454 1456 CONECT 1456 1455 CONECT 1457 1454 CONECT 1458 1453 CONECT 1459 1452 CONECT 1460 1451 CONECT 1461 1444 CONECT 1462 1441 1463 1469 1470 CONECT 1463 1462 1464 1467 1468 CONECT 1464 1440 1463 1465 1466 CONECT 1465 1464 CONECT 1466 1464 CONECT 1467 1463 CONECT 1468 1463 CONECT 1469 1462 CONECT 1470 1462 CONECT 1471 1441 CONECT 1472 1437 1473 1477 1488 CONECT 1473 1472 1474 1486 1487 CONECT 1474 1473 1475 1484 1485 CONECT 1475 1474 1476 1482 1483 CONECT 1476 1475 1477 1480 1481 CONECT 1477 1472 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1476 CONECT 1481 1476 CONECT 1482 1475 CONECT 1483 1475 CONECT 1484 1474 CONECT 1485 1474 CONECT 1486 1473 CONECT 1487 1473 CONECT 1488 1472 CONECT 1489 1437 CONECT 1490 1436 CONECT 1491 1429 CONECT 1492 1424 CONECT 1493 1424 MASTER 0 0 0 0 0 0 0 0 1492 1 82 7 END
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4x0z
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4x14
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4z7o
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5ajc
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5azf
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5btv
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5e6o
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5efj
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5f2u
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5f90
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4-mer
5izj
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5jop
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4-mer
5jy0
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4-mer
5tdb
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4-mer
5vi6
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4-mer
5wxp
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PDBbind
4-mer
5yzd
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PDBbind
4-mer
5zmq
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5zms
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6cct
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4-mer
6ccu
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PDBbind
4-mer
6cd8
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PDBbind
4-mer
6cd9
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4-mer
6cdc
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6m8w
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PDBbind
4-mer
6m8y
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PDBbind
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6m9f
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PDBbind
4-mer
6msy
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PDBbind
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6mu3
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6pu3
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PDBbind
4-mer
6prg
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PDBbind
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6n3f
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PDBbind
4-mer
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6hop
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Entry Information
PDB ID
3uw4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
BIR3 domain of human cIAP1 protein
Ligand Name
4-mer
EC.Number
E.C.6.3.2
Resolution
1.79(Å)
Affinity (Kd/Ki/IC50)
Ki=0.017uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Med.Chem. Vol. 55: pp. 4101-4113
Ligand Properties
Formula
C
2
5
H
3
5
N
6
O
3
S
Molecular Weight
499.649
Exact Mass
499.249
No. of atoms
70
No. of bonds
73
Polar Surface Area
149.14
LOGP Value
3.42 (
Computed with XLOGP3
)
2.18 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
C[NH2+][C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1c1ccccc1)C1CCCCC1)C
InChI String
InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/p+1/t16-,19-,21-/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):
P98170
Q13490
Entrez Gene ID
NCBI Entrez Gene ID:
331
329
ASD
Information of known allosteric effects of PDB entries
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