Browse entries in the PDBbind-CN Database
HEADER 4WT2_COMPLEX COMPND 4WT2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 MET SER VAL PRO THR ASP GLY ALA VAL THR THR SER GLN SEQRES 2 A 105 ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO LYS SEQRES 3 A 105 PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA GLN SEQRES 4 A 105 LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR LEU SEQRES 5 A 105 GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU LYS SEQRES 6 A 105 GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY SEQRES 7 A 105 ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS SEQRES 8 A 105 ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL SEQRES 9 A 105 VAL HET UNN A 225 90 ATOM 1 N MET A 6 8.800 -27.137 3.550 1.00 19.66 N ATOM 2 CA MET A 6 8.887 -25.672 3.799 1.00 18.14 C ATOM 3 C MET A 6 8.351 -25.111 5.099 1.00 18.51 C ATOM 4 O MET A 6 7.443 -25.719 5.662 1.00 20.92 O ATOM 5 CB MET A 6 8.740 -24.767 2.553 1.00 18.22 C ATOM 6 CG MET A 6 7.290 -24.558 2.117 1.00 18.15 C ATOM 7 SD MET A 6 6.282 -23.654 3.313 1.00 17.65 S ATOM 8 CE MET A 6 4.648 -24.219 2.859 1.00 19.14 C ATOM 9 HN3 MET A 6 7.803 -27.432 3.569 1.00 0.00 H ATOM 10 HN2 MET A 6 9.327 -27.645 4.289 1.00 0.00 H ATOM 11 HN1 MET A 6 9.210 -27.354 2.619 1.00 0.00 H ATOM 12 N SER A 7 8.839 -23.955 5.535 1.00 17.11 N ATOM 13 CA SER A 7 8.215 -23.202 6.617 1.00 16.98 C ATOM 14 C SER A 7 8.010 -21.756 6.180 1.00 16.44 C ATOM 15 O SER A 7 8.685 -21.265 5.276 1.00 15.17 O ATOM 16 CB SER A 7 9.047 -23.270 7.897 1.00 18.05 C ATOM 17 OG SER A 7 9.064 -24.587 8.414 1.00 20.49 O ATOM 18 HG SER A 7 9.607 -24.609 9.241 1.00 0.00 H ATOM 19 H SER A 7 9.697 -23.573 5.089 1.00 0.00 H ATOM 20 N VAL A 8 7.059 -21.086 6.822 1.00 16.61 N ATOM 21 CA VAL A 8 6.719 -19.704 6.499 1.00 16.83 C ATOM 22 C VAL A 8 6.754 -18.882 7.789 1.00 17.55 C ATOM 23 O VAL A 8 5.732 -18.718 8.452 1.00 18.21 O ATOM 24 CB VAL A 8 5.351 -19.594 5.775 1.00 17.46 C ATOM 25 CG1 VAL A 8 5.489 -20.054 4.329 1.00 17.57 C ATOM 26 CG2 VAL A 8 4.261 -20.391 6.487 1.00 17.46 C ATOM 27 H VAL A 8 6.537 -21.565 7.584 1.00 0.00 H ATOM 28 N PRO A 9 7.943 -18.374 8.161 1.00 17.19 N ATOM 29 CA PRO A 9 8.083 -17.673 9.450 1.00 18.27 C ATOM 30 C PRO A 9 7.415 -16.298 9.506 1.00 18.74 C ATOM 31 O PRO A 9 7.112 -15.802 10.598 1.00 20.59 O ATOM 32 CB PRO A 9 9.601 -17.541 9.613 1.00 18.53 C ATOM 33 CG PRO A 9 10.141 -17.572 8.226 1.00 18.02 C ATOM 34 CD PRO A 9 9.238 -18.502 7.465 1.00 17.05 C ATOM 35 N THR A 10 7.198 -15.695 8.340 1.00 18.35 N ATOM 36 CA THR A 10 6.466 -14.441 8.217 1.00 18.67 C ATOM 37 C THR A 10 5.575 -14.518 6.979 1.00 18.62 C ATOM 38 O THR A 10 5.648 -15.486 6.220 1.00 18.76 O ATOM 39 CB THR A 10 7.415 -13.234 8.052 1.00 19.44 C ATOM 40 OG1 THR A 10 7.956 -13.221 6.725 1.00 19.67 O ATOM 41 CG2 THR A 10 8.555 -13.279 9.061 1.00 20.43 C ATOM 42 HG1 THR A 10 8.563 -12.446 6.625 1.00 0.00 H ATOM 43 H THR A 10 7.568 -16.140 7.476 1.00 0.00 H ATOM 44 N ASP A 11 4.780 -13.474 6.760 1.00 19.10 N ATOM 45 CA ASP A 11 3.920 -13.368 5.576 1.00 19.75 C ATOM 46 C ASP A 11 4.670 -13.064 4.283 1.00 18.05 C ATOM 47 O ASP A 11 4.046 -13.013 3.230 1.00 18.27 O ATOM 48 CB ASP A 11 2.864 -12.271 5.777 1.00 22.85 C ATOM 49 CG ASP A 11 1.959 -12.535 6.953 1.00 27.16 C ATOM 50 OD1 ASP A 11 1.659 -13.713 7.226 1.00 30.18 O ATOM 51 OD2 ASP A 11 1.555 -11.555 7.614 1.00 32.63 O ATOM 52 H ASP A 11 4.768 -12.702 7.456 1.00 0.00 H ATOM 53 N GLY A 12 5.984 -12.839 4.352 1.00 16.28 N ATOM 54 CA GLY A 12 6.782 -12.527 3.162 1.00 15.16 C ATOM 55 C GLY A 12 8.128 -13.231 3.138 1.00 14.19 C ATOM 56 O GLY A 12 9.111 -12.698 2.640 1.00 14.36 O ATOM 57 H GLY A 12 6.456 -12.886 5.278 1.00 0.00 H ATOM 58 N ALA A 13 8.164 -14.444 3.669 1.00 14.17 N ATOM 59 CA ALA A 13 9.394 -15.224 3.730 1.00 13.69 C ATOM 60 C ALA A 13 9.057 -16.701 3.680 1.00 14.06 C ATOM 61 O ALA A 13 8.023 -17.123 4.192 1.00 14.94 O ATOM 62 CB ALA A 13 10.156 -14.911 5.007 1.00 14.28 C ATOM 63 H ALA A 13 7.288 -14.852 4.054 1.00 0.00 H ATOM 64 N VAL A 14 9.937 -17.482 3.070 1.00 12.89 N ATOM 65 CA VAL A 14 9.801 -18.936 3.027 1.00 13.21 C ATOM 66 C VAL A 14 11.162 -19.552 3.327 1.00 12.97 C ATOM 67 O VAL A 14 12.174 -19.121 2.771 1.00 13.05 O ATOM 68 CB VAL A 14 9.270 -19.440 1.662 1.00 13.41 C ATOM 69 CG1 VAL A 14 7.889 -18.870 1.382 1.00 13.69 C ATOM 70 CG2 VAL A 14 10.220 -19.096 0.521 1.00 13.34 C ATOM 71 H VAL A 14 10.756 -17.043 2.604 1.00 0.00 H ATOM 72 N THR A 15 11.184 -20.542 4.213 1.00 13.61 N ATOM 73 CA THR A 15 12.418 -21.202 4.605 1.00 14.09 C ATOM 74 C THR A 15 12.349 -22.697 4.350 1.00 13.53 C ATOM 75 O THR A 15 11.277 -23.261 4.108 1.00 14.30 O ATOM 76 CB THR A 15 12.755 -20.950 6.085 1.00 15.11 C ATOM 77 OG1 THR A 15 11.717 -21.488 6.910 1.00 16.12 O ATOM 78 CG2 THR A 15 12.914 -19.456 6.370 1.00 15.54 C ATOM 79 HG1 THR A 15 11.936 -21.325 7.862 1.00 0.00 H ATOM 80 H THR A 15 10.289 -20.855 4.640 1.00 0.00 H ATOM 81 N THR A 16 13.519 -23.328 4.402 1.00 13.64 N ATOM 82 CA THR A 16 13.667 -24.751 4.143 1.00 13.91 C ATOM 83 C THR A 16 14.673 -25.373 5.104 1.00 14.49 C ATOM 84 O THR A 16 15.678 -24.749 5.439 1.00 15.41 O ATOM 85 CB THR A 16 14.127 -25.020 2.691 1.00 14.12 C ATOM 86 OG1 THR A 16 14.429 -26.409 2.543 1.00 14.75 O ATOM 87 CG2 THR A 16 15.365 -24.186 2.307 1.00 14.15 C ATOM 88 HG1 THR A 16 14.724 -26.584 1.614 1.00 0.00 H ATOM 89 H THR A 16 14.369 -22.777 4.639 1.00 0.00 H ATOM 90 N SER A 17 14.416 -26.617 5.509 1.00 15.20 N ATOM 91 CA SER A 17 15.362 -27.342 6.345 1.00 15.96 C ATOM 92 C SER A 17 16.597 -27.825 5.581 1.00 15.11 C ATOM 93 O SER A 17 17.551 -28.287 6.197 1.00 16.40 O ATOM 94 CB SER A 17 14.681 -28.538 7.008 1.00 17.06 C ATOM 95 OG SER A 17 14.259 -29.476 6.046 1.00 20.36 O ATOM 96 HG SER A 17 15.043 -29.799 5.536 1.00 0.00 H ATOM 97 H SER A 17 13.527 -27.076 5.224 1.00 0.00 H ATOM 98 N GLN A 18 16.593 -27.715 4.250 1.00 14.39 N ATOM 99 CA GLN A 18 17.741 -28.131 3.437 1.00 14.64 C ATOM 100 C GLN A 18 18.934 -27.185 3.518 1.00 14.73 C ATOM 101 O GLN A 18 20.034 -27.554 3.108 1.00 16.39 O ATOM 102 CB GLN A 18 17.334 -28.256 1.971 1.00 14.91 C ATOM 103 CG GLN A 18 16.331 -29.354 1.689 1.00 15.32 C ATOM 104 CD GLN A 18 16.035 -29.482 0.209 1.00 15.48 C ATOM 105 OE1 GLN A 18 16.917 -29.297 -0.632 1.00 15.45 O ATOM 106 NE2 GLN A 18 14.791 -29.788 -0.118 1.00 15.64 N ATOM 107 HE22 GLN A 18 14.079 -29.935 0.626 1.00 0.00 H ATOM 108 HE21 GLN A 18 14.524 -29.881 -1.119 1.00 0.00 H ATOM 109 H GLN A 18 15.753 -27.324 3.777 1.00 0.00 H ATOM 110 N ILE A 19 18.704 -25.970 4.016 1.00 13.67 N ATOM 111 CA ILE A 19 19.699 -24.894 4.062 1.00 13.79 C ATOM 112 C ILE A 19 19.819 -24.419 5.517 1.00 13.88 C ATOM 113 O ILE A 19 18.805 -24.332 6.203 1.00 13.35 O ATOM 114 CB ILE A 19 19.217 -23.696 3.191 1.00 13.89 C ATOM 115 CG1 ILE A 19 18.845 -24.123 1.760 1.00 15.20 C ATOM 116 CG2 ILE A 19 20.230 -22.562 3.190 1.00 13.78 C ATOM 117 CD1 ILE A 19 20.000 -24.545 0.894 1.00 15.99 C ATOM 118 H ILE A 19 17.757 -25.772 4.397 1.00 0.00 H ATOM 119 N PRO A 20 21.032 -24.089 5.996 1.00 13.72 N ATOM 120 CA PRO A 20 21.098 -23.616 7.391 1.00 13.76 C ATOM 121 C PRO A 20 20.192 -22.413 7.639 1.00 13.74 C ATOM 122 O PRO A 20 20.068 -21.546 6.783 1.00 13.25 O ATOM 123 CB PRO A 20 22.572 -23.234 7.559 1.00 14.32 C ATOM 124 CG PRO A 20 23.283 -24.128 6.606 1.00 14.36 C ATOM 125 CD PRO A 20 22.376 -24.221 5.406 1.00 13.74 C ATOM 126 N ALA A 21 19.550 -22.366 8.801 1.00 14.31 N ATOM 127 CA ALA A 21 18.668 -21.248 9.128 1.00 14.13 C ATOM 128 C ALA A 21 19.365 -19.900 8.957 1.00 14.06 C ATOM 129 O ALA A 21 18.814 -18.960 8.382 1.00 14.10 O ATOM 130 CB ALA A 21 18.153 -21.392 10.550 1.00 14.47 C ATOM 131 H ALA A 21 19.677 -23.136 9.488 1.00 0.00 H ATOM 132 N SER A 22 20.588 -19.804 9.461 1.00 14.37 N ATOM 133 CA SER A 22 21.318 -18.546 9.412 1.00 14.40 C ATOM 134 C SER A 22 21.643 -18.116 7.975 1.00 14.17 C ATOM 135 O SER A 22 21.708 -16.919 7.685 1.00 14.27 O ATOM 136 CB SER A 22 22.598 -18.647 10.250 1.00 15.09 C ATOM 137 OG SER A 22 23.295 -17.426 10.218 1.00 16.84 O ATOM 138 HG SER A 22 24.119 -17.503 10.762 1.00 0.00 H ATOM 139 H SER A 22 21.031 -20.638 9.897 1.00 0.00 H ATOM 140 N GLU A 23 21.848 -19.082 7.085 1.00 13.37 N ATOM 141 CA GLU A 23 22.094 -18.758 5.677 1.00 13.22 C ATOM 142 C GLU A 23 20.883 -18.078 5.048 1.00 13.04 C ATOM 143 O GLU A 23 21.019 -17.218 4.188 1.00 12.70 O ATOM 144 CB GLU A 23 22.477 -20.004 4.877 1.00 12.94 C ATOM 145 CG GLU A 23 22.865 -19.649 3.448 1.00 12.67 C ATOM 146 CD GLU A 23 23.402 -20.801 2.630 1.00 13.27 C ATOM 147 OE1 GLU A 23 23.692 -21.873 3.188 1.00 14.03 O ATOM 148 OE2 GLU A 23 23.561 -20.619 1.391 1.00 14.06 O ATOM 149 H GLU A 23 21.834 -20.076 7.390 1.00 0.00 H ATOM 150 N GLN A 24 19.696 -18.451 5.500 1.00 12.82 N ATOM 151 CA GLN A 24 18.470 -17.883 4.957 1.00 12.89 C ATOM 152 C GLN A 24 18.200 -16.469 5.489 1.00 13.29 C ATOM 153 O GLN A 24 17.306 -15.776 4.995 1.00 13.12 O ATOM 154 CB GLN A 24 17.315 -18.852 5.206 1.00 13.11 C ATOM 155 CG GLN A 24 17.628 -20.225 4.621 1.00 13.47 C ATOM 156 CD GLN A 24 16.598 -21.274 4.937 1.00 14.09 C ATOM 157 OE1 GLN A 24 15.504 -21.254 4.387 1.00 14.24 O ATOM 158 NE2 GLN A 24 16.949 -22.220 5.804 1.00 14.86 N ATOM 159 HE22 GLN A 24 17.890 -22.196 6.247 1.00 0.00 H ATOM 160 HE21 GLN A 24 16.283 -22.983 6.039 1.00 0.00 H ATOM 161 H GLN A 24 19.638 -19.162 6.256 1.00 0.00 H ATOM 162 N GLU A 25 19.004 -16.039 6.464 1.00 13.93 N ATOM 163 CA GLU A 25 19.009 -14.663 6.962 1.00 14.76 C ATOM 164 C GLU A 25 20.087 -13.788 6.296 1.00 14.42 C ATOM 165 O GLU A 25 20.232 -12.610 6.637 1.00 15.30 O ATOM 166 CB GLU A 25 19.220 -14.662 8.481 1.00 16.35 C ATOM 167 CG GLU A 25 18.216 -15.499 9.262 1.00 17.81 C ATOM 168 CD GLU A 25 16.784 -15.034 9.095 1.00 20.87 C ATOM 169 OE1 GLU A 25 16.566 -13.833 8.825 1.00 24.11 O ATOM 170 OE2 GLU A 25 15.869 -15.871 9.229 1.00 24.81 O ATOM 171 H GLU A 25 19.663 -16.719 6.893 1.00 0.00 H ATOM 172 N THR A 26 20.840 -14.354 5.354 1.00 14.56 N ATOM 173 CA THR A 26 21.872 -13.604 4.630 1.00 14.39 C ATOM 174 C THR A 26 21.248 -12.388 3.957 1.00 14.17 C ATOM 175 O THR A 26 20.245 -12.517 3.246 1.00 13.09 O ATOM 176 CB THR A 26 22.558 -14.490 3.575 1.00 14.57 C ATOM 177 OG1 THR A 26 23.174 -15.613 4.216 1.00 15.21 O ATOM 178 CG2 THR A 26 23.619 -13.714 2.798 1.00 15.15 C ATOM 179 HG1 THR A 26 23.849 -15.292 4.865 1.00 0.00 H ATOM 180 H THR A 26 20.692 -15.358 5.125 1.00 0.00 H ATOM 181 N LEU A 27 21.827 -11.215 4.209 1.00 14.78 N ATOM 182 CA LEU A 27 21.367 -9.977 3.576 1.00 15.35 C ATOM 183 C LEU A 27 22.010 -9.824 2.211 1.00 14.63 C ATOM 184 O LEU A 27 23.227 -9.994 2.057 1.00 14.73 O ATOM 185 CB LEU A 27 21.693 -8.760 4.437 1.00 16.32 C ATOM 186 CG LEU A 27 20.841 -8.625 5.693 1.00 18.10 C ATOM 187 CD1 LEU A 27 21.457 -7.609 6.636 1.00 18.98 C ATOM 188 CD2 LEU A 27 19.415 -8.244 5.325 1.00 18.53 C ATOM 189 H LEU A 27 22.627 -11.177 4.873 1.00 0.00 H ATOM 190 N VAL A 28 21.179 -9.505 1.222 1.00 13.91 N ATOM 191 CA VAL A 28 21.612 -9.456 -0.174 1.00 13.61 C ATOM 192 C VAL A 28 21.000 -8.262 -0.894 1.00 13.87 C ATOM 193 O VAL A 28 19.915 -7.797 -0.540 1.00 13.72 O ATOM 194 CB VAL A 28 21.247 -10.759 -0.923 1.00 13.37 C ATOM 195 CG1 VAL A 28 21.912 -11.954 -0.249 1.00 13.41 C ATOM 196 CG2 VAL A 28 19.739 -10.970 -1.003 1.00 13.42 C ATOM 197 H VAL A 28 20.189 -9.283 1.449 1.00 0.00 H ATOM 198 N ARG A 29 21.724 -7.782 -1.904 1.00 14.20 N ATOM 199 CA ARG A 29 21.259 -6.721 -2.793 1.00 15.64 C ATOM 200 C ARG A 29 21.177 -7.303 -4.201 1.00 14.50 C ATOM 201 O ARG A 29 22.198 -7.468 -4.877 1.00 14.72 O ATOM 202 CB ARG A 29 22.208 -5.520 -2.736 1.00 18.08 C ATOM 203 CG ARG A 29 22.082 -4.738 -1.440 1.00 22.57 C ATOM 204 CD ARG A 29 22.678 -3.342 -1.526 1.00 27.09 C ATOM 205 NE ARG A 29 22.587 -2.650 -0.237 1.00 32.15 N ATOM 206 CZ ARG A 29 23.538 -2.626 0.699 1.00 35.08 C ATOM 207 NH1 ARG A 29 24.700 -3.252 0.522 1.00 37.72 N ATOM 208 NH2 ARG A 29 23.326 -1.961 1.830 1.00 38.24 N ATOM 209 HE ARG A 29 21.707 -2.134 -0.035 1.00 0.00 H ATOM 210 HH12 ARG A 29 25.427 -3.220 1.265 1.00 0.00 H ATOM 211 HH11 ARG A 29 24.881 -3.773 -0.360 1.00 0.00 H ATOM 212 HH22 ARG A 29 24.062 -1.937 2.565 1.00 0.00 H ATOM 213 HH21 ARG A 29 22.425 -1.465 1.980 1.00 0.00 H ATOM 214 H ARG A 29 22.669 -8.184 -2.068 1.00 0.00 H ATOM 215 N PRO A 30 19.958 -7.656 -4.642 1.00 14.11 N ATOM 216 CA PRO A 30 19.770 -8.200 -5.985 1.00 14.10 C ATOM 217 C PRO A 30 20.303 -7.297 -7.092 1.00 14.17 C ATOM 218 O PRO A 30 20.158 -6.079 -7.024 1.00 14.73 O ATOM 219 CB PRO A 30 18.252 -8.323 -6.098 1.00 14.21 C ATOM 220 CG PRO A 30 17.816 -8.572 -4.686 1.00 13.99 C ATOM 221 CD PRO A 30 18.697 -7.673 -3.876 1.00 14.43 C ATOM 222 N LYS A 31 20.922 -7.914 -8.092 1.00 13.56 N ATOM 223 CA LYS A 31 21.304 -7.218 -9.321 1.00 14.45 C ATOM 224 C LYS A 31 20.032 -6.900 -10.121 1.00 14.05 C ATOM 225 O LYS A 31 18.938 -7.342 -9.751 1.00 13.90 O ATOM 226 CB LYS A 31 22.309 -8.072 -10.090 1.00 15.71 C ATOM 227 CG LYS A 31 23.670 -8.115 -9.412 1.00 17.59 C ATOM 228 CD LYS A 31 24.658 -9.010 -10.144 1.00 20.37 C ATOM 229 CE LYS A 31 25.993 -9.055 -9.418 1.00 23.82 C ATOM 230 NZ LYS A 31 27.006 -9.858 -10.158 1.00 27.26 N ATOM 231 HZ1 LYS A 31 26.662 -10.834 -10.266 1.00 0.00 H ATOM 232 HZ2 LYS A 31 27.161 -9.438 -11.097 1.00 0.00 H ATOM 233 HZ3 LYS A 31 27.900 -9.861 -9.626 1.00 0.00 H ATOM 234 H LYS A 31 21.143 -8.926 -7.998 1.00 0.00 H ATOM 235 N PRO A 32 20.156 -6.102 -11.200 1.00 13.95 N ATOM 236 CA PRO A 32 18.939 -5.521 -11.793 1.00 13.71 C ATOM 237 C PRO A 32 17.844 -6.483 -12.259 1.00 13.43 C ATOM 238 O PRO A 32 16.664 -6.205 -12.034 1.00 13.82 O ATOM 239 CB PRO A 32 19.483 -4.718 -12.976 1.00 14.22 C ATOM 240 CG PRO A 32 20.833 -4.292 -12.508 1.00 14.48 C ATOM 241 CD PRO A 32 21.368 -5.486 -11.774 1.00 14.43 C ATOM 242 N LEU A 33 18.199 -7.589 -12.911 1.00 13.27 N ATOM 243 CA LEU A 33 17.153 -8.509 -13.366 1.00 13.60 C ATOM 244 C LEU A 33 16.429 -9.150 -12.178 1.00 13.40 C ATOM 245 O LEU A 33 15.204 -9.161 -12.132 1.00 13.39 O ATOM 246 CB LEU A 33 17.695 -9.589 -14.305 1.00 13.87 C ATOM 247 CG LEU A 33 16.641 -10.572 -14.836 1.00 14.20 C ATOM 248 CD1 LEU A 33 15.451 -9.857 -15.468 1.00 14.88 C ATOM 249 CD2 LEU A 33 17.274 -11.564 -15.806 1.00 15.02 C ATOM 250 H LEU A 33 19.202 -7.796 -13.094 1.00 0.00 H ATOM 251 N LEU A 34 17.181 -9.675 -11.217 1.00 13.51 N ATOM 252 CA LEU A 34 16.538 -10.286 -10.050 1.00 13.38 C ATOM 253 C LEU A 34 15.651 -9.261 -9.351 1.00 13.20 C ATOM 254 O LEU A 34 14.509 -9.556 -8.976 1.00 13.63 O ATOM 255 CB LEU A 34 17.582 -10.841 -9.080 1.00 13.35 C ATOM 256 CG LEU A 34 17.049 -11.443 -7.770 1.00 13.57 C ATOM 257 CD1 LEU A 34 16.033 -12.542 -8.028 1.00 14.08 C ATOM 258 CD2 LEU A 34 18.197 -11.952 -6.910 1.00 13.68 C ATOM 259 H LEU A 34 18.218 -9.653 -11.292 1.00 0.00 H ATOM 260 N LEU A 35 16.164 -8.045 -9.199 1.00 13.40 N ATOM 261 CA LEU A 35 15.407 -6.992 -8.541 1.00 14.01 C ATOM 262 C LEU A 35 14.100 -6.704 -9.276 1.00 14.50 C ATOM 263 O LEU A 35 13.054 -6.544 -8.646 1.00 15.16 O ATOM 264 CB LEU A 35 16.238 -5.717 -8.402 1.00 15.06 C ATOM 265 CG LEU A 35 15.654 -4.653 -7.469 1.00 16.08 C ATOM 266 CD1 LEU A 35 15.528 -5.179 -6.045 1.00 16.28 C ATOM 267 CD2 LEU A 35 16.516 -3.402 -7.513 1.00 16.72 C ATOM 268 H LEU A 35 17.120 -7.843 -9.555 1.00 0.00 H ATOM 269 N LYS A 36 14.157 -6.648 -10.609 1.00 14.99 N ATOM 270 CA LYS A 36 12.965 -6.428 -11.428 1.00 15.91 C ATOM 271 C LYS A 36 11.904 -7.490 -11.148 1.00 15.07 C ATOM 272 O LYS A 36 10.722 -7.174 -11.000 1.00 15.27 O ATOM 273 CB LYS A 36 13.327 -6.444 -12.921 1.00 17.49 C ATOM 274 CG LYS A 36 12.156 -6.191 -13.861 1.00 19.51 C ATOM 275 CD LYS A 36 11.766 -4.725 -13.897 1.00 23.11 C ATOM 276 H LYS A 36 15.077 -6.764 -11.079 1.00 0.00 H ATOM 277 N LEU A 37 12.321 -8.751 -11.090 1.00 14.66 N ATOM 278 CA LEU A 37 11.366 -9.839 -10.860 1.00 14.73 C ATOM 279 C LEU A 37 10.701 -9.689 -9.490 1.00 14.57 C ATOM 280 O LEU A 37 9.484 -9.845 -9.365 1.00 14.27 O ATOM 281 CB LEU A 37 12.030 -11.212 -10.975 1.00 14.74 C ATOM 282 CG LEU A 37 12.801 -11.538 -12.262 1.00 15.69 C ATOM 283 CD1 LEU A 37 13.095 -13.032 -12.297 1.00 16.59 C ATOM 284 CD2 LEU A 37 12.053 -11.084 -13.507 1.00 16.54 C ATOM 285 H LEU A 37 13.331 -8.967 -11.209 1.00 0.00 H ATOM 286 N LEU A 38 11.493 -9.362 -8.472 1.00 14.27 N ATOM 287 CA LEU A 38 10.945 -9.199 -7.124 1.00 15.43 C ATOM 288 C LEU A 38 9.950 -8.038 -7.068 1.00 16.56 C ATOM 289 O LEU A 38 8.860 -8.164 -6.501 1.00 17.13 O ATOM 290 CB LEU A 38 12.062 -9.005 -6.089 1.00 16.39 C ATOM 291 CG LEU A 38 13.184 -10.054 -6.064 1.00 17.37 C ATOM 292 CD1 LEU A 38 14.096 -9.801 -4.875 1.00 18.26 C ATOM 293 CD2 LEU A 38 12.680 -11.488 -6.069 1.00 17.62 C ATOM 294 H LEU A 38 12.510 -9.221 -8.635 1.00 0.00 H ATOM 295 N LYS A 39 10.302 -6.916 -7.677 1.00 16.93 N ATOM 296 CA LYS A 39 9.422 -5.751 -7.646 1.00 17.81 C ATOM 297 C LYS A 39 8.140 -5.961 -8.453 1.00 17.91 C ATOM 298 O LYS A 39 7.110 -5.364 -8.139 1.00 17.93 O ATOM 299 CB LYS A 39 10.178 -4.496 -8.076 1.00 19.85 C ATOM 300 CG LYS A 39 11.278 -4.150 -7.081 1.00 21.87 C ATOM 301 CD LYS A 39 11.812 -2.744 -7.245 1.00 23.91 C ATOM 302 CE LYS A 39 12.800 -2.419 -6.137 1.00 25.75 C ATOM 303 NZ LYS A 39 13.280 -1.013 -6.210 1.00 28.13 N ATOM 304 HZ1 LYS A 39 13.753 -0.856 -7.123 1.00 0.00 H ATOM 305 HZ2 LYS A 39 12.470 -0.366 -6.123 1.00 0.00 H ATOM 306 HZ3 LYS A 39 13.951 -0.836 -5.436 1.00 0.00 H ATOM 307 H LYS A 39 11.211 -6.864 -8.180 1.00 0.00 H ATOM 308 N SER A 40 8.182 -6.845 -9.448 1.00 16.86 N ATOM 309 CA SER A 40 6.987 -7.152 -10.241 1.00 18.14 C ATOM 310 C SER A 40 5.893 -7.831 -9.419 1.00 18.21 C ATOM 311 O SER A 40 4.729 -7.815 -9.809 1.00 20.11 O ATOM 312 CB SER A 40 7.334 -8.016 -11.455 1.00 17.87 C ATOM 313 OG SER A 40 7.489 -9.379 -11.111 1.00 18.76 O ATOM 314 HG SER A 40 8.219 -9.470 -10.448 1.00 0.00 H ATOM 315 H SER A 40 9.078 -7.326 -9.667 1.00 0.00 H ATOM 316 N VAL A 41 6.272 -8.437 -8.296 1.00 17.78 N ATOM 317 CA VAL A 41 5.295 -9.059 -7.392 1.00 18.84 C ATOM 318 C VAL A 41 5.205 -8.328 -6.052 1.00 20.52 C ATOM 319 O VAL A 41 4.872 -8.927 -5.035 1.00 21.81 O ATOM 320 CB VAL A 41 5.577 -10.567 -7.189 1.00 19.25 C ATOM 321 CG1 VAL A 41 5.287 -11.324 -8.471 1.00 19.61 C ATOM 322 CG2 VAL A 41 7.007 -10.810 -6.730 1.00 18.76 C ATOM 323 H VAL A 41 7.283 -8.471 -8.053 1.00 0.00 H ATOM 324 N GLY A 42 5.504 -7.030 -6.048 1.00 21.18 N ATOM 325 CA GLY A 42 5.195 -6.175 -4.901 1.00 22.71 C ATOM 326 C GLY A 42 6.324 -5.806 -3.958 1.00 22.89 C ATOM 327 O GLY A 42 6.106 -5.042 -3.018 1.00 25.84 O ATOM 328 H GLY A 42 5.968 -6.614 -6.880 1.00 0.00 H ATOM 329 N ALA A 43 7.528 -6.327 -4.187 1.00 22.83 N ATOM 330 CA ALA A 43 8.673 -5.970 -3.342 1.00 23.18 C ATOM 331 C ALA A 43 9.002 -4.478 -3.486 1.00 24.58 C ATOM 332 O ALA A 43 8.956 -3.938 -4.589 1.00 26.31 O ATOM 333 CB ALA A 43 9.880 -6.830 -3.686 1.00 23.76 C ATOM 334 H ALA A 43 7.658 -6.995 -4.974 1.00 0.00 H ATOM 335 N GLN A 44 9.312 -3.812 -2.374 1.00 26.43 N ATOM 336 CA GLN A 44 9.476 -2.351 -2.372 1.00 29.54 C ATOM 337 C GLN A 44 10.859 -1.864 -1.927 1.00 31.91 C ATOM 338 O GLN A 44 11.046 -0.665 -1.703 1.00 34.79 O ATOM 339 CB GLN A 44 8.404 -1.711 -1.483 1.00 30.12 C ATOM 340 H GLN A 44 9.441 -4.338 -1.486 1.00 0.00 H ATOM 341 N LYS A 45 11.825 -2.776 -1.819 1.00 31.02 N ATOM 342 CA LYS A 45 13.158 -2.423 -1.319 1.00 30.25 C ATOM 343 C LYS A 45 14.273 -2.990 -2.195 1.00 26.53 C ATOM 344 O LYS A 45 14.016 -3.751 -3.127 1.00 25.86 O ATOM 345 CB LYS A 45 13.318 -2.865 0.140 1.00 32.74 C ATOM 346 CG LYS A 45 12.975 -4.320 0.421 1.00 34.19 C ATOM 347 CD LYS A 45 12.878 -4.572 1.918 1.00 36.85 C ATOM 348 CE LYS A 45 12.469 -6.004 2.219 1.00 37.78 C ATOM 349 NZ LYS A 45 12.270 -6.229 3.679 1.00 39.21 N ATOM 350 HZ1 LYS A 45 13.157 -6.030 4.183 1.00 0.00 H ATOM 351 HZ2 LYS A 45 11.522 -5.596 4.027 1.00 0.00 H ATOM 352 HZ3 LYS A 45 11.992 -7.218 3.841 1.00 0.00 H ATOM 353 H LYS A 45 11.629 -3.759 -2.095 1.00 0.00 H ATOM 354 N ASP A 46 15.506 -2.583 -1.899 1.00 25.47 N ATOM 355 CA ASP A 46 16.682 -3.010 -2.660 1.00 23.96 C ATOM 356 C ASP A 46 17.548 -4.026 -1.915 1.00 20.87 C ATOM 357 O ASP A 46 18.424 -4.635 -2.525 1.00 20.73 O ATOM 358 CB ASP A 46 17.530 -1.793 -3.040 1.00 26.61 C ATOM 359 CG ASP A 46 16.769 -0.795 -3.900 1.00 30.00 C ATOM 360 OD1 ASP A 46 15.816 -1.205 -4.602 1.00 30.81 O ATOM 361 OD2 ASP A 46 17.123 0.403 -3.874 1.00 34.86 O ATOM 362 H ASP A 46 15.639 -1.936 -1.095 1.00 0.00 H ATOM 363 N THR A 47 17.302 -4.207 -0.614 1.00 19.20 N ATOM 364 CA THR A 47 18.032 -5.174 0.209 1.00 18.91 C ATOM 365 C THR A 47 17.042 -6.121 0.885 1.00 17.40 C ATOM 366 O THR A 47 16.011 -5.684 1.387 1.00 17.79 O ATOM 367 CB THR A 47 18.870 -4.461 1.289 1.00 20.57 C ATOM 368 OG1 THR A 47 19.754 -3.517 0.664 1.00 23.42 O ATOM 369 CG2 THR A 47 19.697 -5.458 2.106 1.00 22.09 C ATOM 370 HG1 THR A 47 20.291 -3.060 1.359 1.00 0.00 H ATOM 371 H THR A 47 16.558 -3.635 -0.165 1.00 0.00 H ATOM 372 N TYR A 48 17.374 -7.411 0.901 1.00 15.51 N ATOM 373 CA TYR A 48 16.484 -8.471 1.398 1.00 15.93 C ATOM 374 C TYR A 48 17.278 -9.518 2.142 1.00 14.91 C ATOM 375 O TYR A 48 18.468 -9.679 1.895 1.00 14.64 O ATOM 376 CB TYR A 48 15.812 -9.194 0.229 1.00 17.00 C ATOM 377 CG TYR A 48 14.986 -8.305 -0.659 1.00 19.55 C ATOM 378 CD1 TYR A 48 13.618 -8.180 -0.459 1.00 21.72 C ATOM 379 CD2 TYR A 48 15.572 -7.587 -1.696 1.00 20.27 C ATOM 380 CE1 TYR A 48 12.849 -7.361 -1.265 1.00 23.62 C ATOM 381 CE2 TYR A 48 14.813 -6.764 -2.508 1.00 22.41 C ATOM 382 CZ TYR A 48 13.453 -6.655 -2.286 1.00 23.65 C ATOM 383 OH TYR A 48 12.691 -5.838 -3.086 1.00 25.52 O ATOM 384 HH TYR A 48 13.022 -4.907 -3.015 1.00 0.00 H ATOM 385 H TYR A 48 18.312 -7.683 0.543 1.00 0.00 H ATOM 386 N THR A 49 16.619 -10.261 3.025 1.00 14.35 N ATOM 387 CA THR A 49 17.175 -11.533 3.457 1.00 13.99 C ATOM 388 C THR A 49 16.858 -12.579 2.393 1.00 12.74 C ATOM 389 O THR A 49 15.889 -12.443 1.640 1.00 12.71 O ATOM 390 CB THR A 49 16.619 -11.994 4.817 1.00 14.52 C ATOM 391 OG1 THR A 49 15.193 -12.098 4.738 1.00 15.37 O ATOM 392 CG2 THR A 49 17.025 -11.018 5.935 1.00 15.67 C ATOM 393 HG1 THR A 49 14.811 -11.214 4.507 1.00 0.00 H ATOM 394 H THR A 49 15.708 -9.934 3.406 1.00 0.00 H ATOM 395 N MET A 50 17.672 -13.621 2.315 1.00 11.75 N ATOM 396 CA MET A 50 17.451 -14.659 1.320 1.00 11.63 C ATOM 397 C MET A 50 16.062 -15.279 1.423 1.00 11.98 C ATOM 398 O MET A 50 15.436 -15.551 0.402 1.00 12.29 O ATOM 399 CB MET A 50 18.539 -15.729 1.384 1.00 12.03 C ATOM 400 CG MET A 50 19.840 -15.312 0.700 1.00 12.08 C ATOM 401 SD MET A 50 19.737 -15.028 -1.087 1.00 12.74 S ATOM 402 CE MET A 50 19.669 -16.705 -1.690 1.00 12.94 C ATOM 403 H MET A 50 18.476 -13.698 2.970 1.00 0.00 H ATOM 404 N LYS A 51 15.555 -15.484 2.634 1.00 12.38 N ATOM 405 CA LYS A 51 14.232 -16.087 2.793 1.00 12.40 C ATOM 406 C LYS A 51 13.132 -15.217 2.167 1.00 12.30 C ATOM 407 O LYS A 51 12.111 -15.739 1.701 1.00 12.11 O ATOM 408 CB LYS A 51 13.930 -16.397 4.269 1.00 12.80 C ATOM 409 CG LYS A 51 13.838 -15.184 5.176 1.00 13.42 C ATOM 410 CD LYS A 51 13.508 -15.575 6.608 1.00 14.37 C ATOM 411 CE LYS A 51 13.144 -14.349 7.426 1.00 15.26 C ATOM 412 NZ LYS A 51 14.197 -13.296 7.354 1.00 15.53 N ATOM 413 HZ1 LYS A 51 15.092 -13.677 7.721 1.00 0.00 H ATOM 414 HZ2 LYS A 51 14.323 -13.001 6.365 1.00 0.00 H ATOM 415 HZ3 LYS A 51 13.907 -12.478 7.927 1.00 0.00 H ATOM 416 H LYS A 51 16.103 -15.214 3.475 1.00 0.00 H ATOM 417 N GLU A 52 13.340 -13.900 2.151 1.00 12.49 N ATOM 418 CA GLU A 52 12.408 -12.990 1.469 1.00 12.91 C ATOM 419 C GLU A 52 12.541 -13.086 -0.051 1.00 12.38 C ATOM 420 O GLU A 52 11.535 -13.045 -0.770 1.00 12.47 O ATOM 421 CB GLU A 52 12.632 -11.545 1.891 1.00 14.23 C ATOM 422 CG GLU A 52 12.319 -11.259 3.345 1.00 16.57 C ATOM 423 CD GLU A 52 12.693 -9.846 3.716 1.00 20.25 C ATOM 424 OE1 GLU A 52 13.900 -9.573 3.867 1.00 23.22 O ATOM 425 OE2 GLU A 52 11.783 -9.001 3.837 1.00 22.63 O ATOM 426 H GLU A 52 14.177 -13.509 2.630 1.00 0.00 H ATOM 427 N VAL A 53 13.775 -13.199 -0.540 1.00 12.03 N ATOM 428 CA VAL A 53 14.011 -13.370 -1.974 1.00 11.56 C ATOM 429 C VAL A 53 13.311 -14.634 -2.459 1.00 11.44 C ATOM 430 O VAL A 53 12.658 -14.634 -3.500 1.00 11.62 O ATOM 431 CB VAL A 53 15.524 -13.450 -2.296 1.00 12.01 C ATOM 432 CG1 VAL A 53 15.745 -13.795 -3.764 1.00 12.60 C ATOM 433 CG2 VAL A 53 16.213 -12.139 -1.947 1.00 12.48 C ATOM 434 H VAL A 53 14.586 -13.165 0.110 1.00 0.00 H ATOM 435 N LEU A 54 13.422 -15.712 -1.685 1.00 11.38 N ATOM 436 CA LEU A 54 12.798 -16.969 -2.075 1.00 11.69 C ATOM 437 C LEU A 54 11.277 -16.837 -2.090 1.00 11.99 C ATOM 438 O LEU A 54 10.621 -17.386 -2.975 1.00 12.58 O ATOM 439 CB LEU A 54 13.236 -18.127 -1.170 1.00 12.33 C ATOM 440 CG LEU A 54 14.513 -18.850 -1.613 1.00 12.42 C ATOM 441 CD1 LEU A 54 14.304 -19.623 -2.908 1.00 12.43 C ATOM 442 CD2 LEU A 54 15.719 -17.929 -1.742 1.00 13.06 C ATOM 443 H LEU A 54 13.958 -15.656 -0.796 1.00 0.00 H ATOM 444 N PHE A 55 10.715 -16.117 -1.119 1.00 11.99 N ATOM 445 CA PHE A 55 9.275 -15.887 -1.107 1.00 12.37 C ATOM 446 C PHE A 55 8.845 -15.177 -2.390 1.00 12.22 C ATOM 447 O PHE A 55 7.926 -15.629 -3.081 1.00 12.03 O ATOM 448 CB PHE A 55 8.826 -15.079 0.116 1.00 12.92 C ATOM 449 CG PHE A 55 7.400 -14.610 0.021 1.00 13.63 C ATOM 450 CD1 PHE A 55 6.348 -15.480 0.289 1.00 14.69 C ATOM 451 CD2 PHE A 55 7.107 -13.314 -0.370 1.00 13.95 C ATOM 452 CE1 PHE A 55 5.032 -15.055 0.168 1.00 14.73 C ATOM 453 CE2 PHE A 55 5.796 -12.887 -0.489 1.00 14.48 C ATOM 454 CZ PHE A 55 4.759 -13.761 -0.217 1.00 15.21 C ATOM 455 H PHE A 55 11.308 -15.716 -0.364 1.00 0.00 H ATOM 456 N TYR A 56 9.493 -14.056 -2.692 1.00 12.57 N ATOM 457 CA TYR A 56 9.103 -13.262 -3.857 1.00 12.94 C ATOM 458 C TYR A 56 9.355 -14.002 -5.166 1.00 12.38 C ATOM 459 O TYR A 56 8.538 -13.908 -6.083 1.00 12.30 O ATOM 460 CB TYR A 56 9.791 -11.899 -3.859 1.00 14.47 C ATOM 461 CG TYR A 56 9.212 -10.920 -2.859 1.00 16.26 C ATOM 462 CD1 TYR A 56 7.895 -10.481 -2.963 1.00 18.10 C ATOM 463 CD2 TYR A 56 9.987 -10.418 -1.812 1.00 19.02 C ATOM 464 CE1 TYR A 56 7.365 -9.581 -2.055 1.00 20.42 C ATOM 465 CE2 TYR A 56 9.458 -9.518 -0.898 1.00 20.94 C ATOM 466 CZ TYR A 56 8.147 -9.101 -1.031 1.00 22.66 C ATOM 467 OH TYR A 56 7.601 -8.204 -0.135 1.00 26.59 O ATOM 468 HH TYR A 56 7.634 -8.589 0.777 1.00 0.00 H ATOM 469 H TYR A 56 10.284 -13.741 -2.095 1.00 0.00 H ATOM 470 N LEU A 57 10.452 -14.752 -5.269 1.00 12.42 N ATOM 471 CA LEU A 57 10.710 -15.545 -6.474 1.00 12.91 C ATOM 472 C LEU A 57 9.645 -16.618 -6.651 1.00 12.95 C ATOM 473 O LEU A 57 9.196 -16.893 -7.763 1.00 14.03 O ATOM 474 CB LEU A 57 12.092 -16.191 -6.435 1.00 13.34 C ATOM 475 CG LEU A 57 13.249 -15.286 -6.848 1.00 13.44 C ATOM 476 CD1 LEU A 57 14.564 -16.026 -6.665 1.00 13.70 C ATOM 477 CD2 LEU A 57 13.109 -14.800 -8.285 1.00 14.29 C ATOM 478 H LEU A 57 11.134 -14.775 -4.484 1.00 0.00 H ATOM 479 N GLY A 58 9.228 -17.231 -5.544 1.00 12.55 N ATOM 480 CA GLY A 58 8.118 -18.170 -5.588 1.00 12.64 C ATOM 481 C GLY A 58 6.846 -17.518 -6.111 1.00 12.22 C ATOM 482 O GLY A 58 6.128 -18.088 -6.944 1.00 12.52 O ATOM 483 H GLY A 58 9.701 -17.036 -4.639 1.00 0.00 H ATOM 484 N GLN A 59 6.557 -16.311 -5.629 1.00 12.01 N ATOM 485 CA GLN A 59 5.393 -15.563 -6.107 1.00 12.49 C ATOM 486 C GLN A 59 5.506 -15.246 -7.598 1.00 12.71 C ATOM 487 O GLN A 59 4.529 -15.363 -8.339 1.00 12.96 O ATOM 488 CB GLN A 59 5.214 -14.273 -5.301 1.00 12.83 C ATOM 489 CG GLN A 59 4.862 -14.508 -3.843 1.00 12.74 C ATOM 490 CD GLN A 59 3.562 -15.261 -3.706 1.00 13.31 C ATOM 491 OE1 GLN A 59 2.528 -14.796 -4.159 1.00 13.89 O ATOM 492 NE2 GLN A 59 3.615 -16.439 -3.109 1.00 13.81 N ATOM 493 HE22 GLN A 59 4.520 -16.794 -2.738 1.00 0.00 H ATOM 494 HE21 GLN A 59 2.752 -17.011 -3.010 1.00 0.00 H ATOM 495 H GLN A 59 7.169 -15.892 -4.900 1.00 0.00 H ATOM 496 N TYR A 60 6.699 -14.854 -8.033 1.00 12.31 N ATOM 497 CA TYR A 60 6.944 -14.594 -9.450 1.00 12.63 C ATOM 498 C TYR A 60 6.669 -15.848 -10.295 1.00 12.77 C ATOM 499 O TYR A 60 5.943 -15.792 -11.292 1.00 13.01 O ATOM 500 CB TYR A 60 8.385 -14.110 -9.663 1.00 12.60 C ATOM 501 CG TYR A 60 8.718 -13.937 -11.122 1.00 13.34 C ATOM 502 CD1 TYR A 60 8.383 -12.770 -11.793 1.00 13.97 C ATOM 503 CD2 TYR A 60 9.320 -14.956 -11.845 1.00 13.53 C ATOM 504 CE1 TYR A 60 8.655 -12.617 -13.139 1.00 14.78 C ATOM 505 CE2 TYR A 60 9.598 -14.812 -13.194 1.00 14.37 C ATOM 506 CZ TYR A 60 9.265 -13.638 -13.833 1.00 14.81 C ATOM 507 OH TYR A 60 9.520 -13.465 -15.178 1.00 15.91 O ATOM 508 HH TYR A 60 9.036 -14.156 -15.696 1.00 0.00 H ATOM 509 H TYR A 60 7.474 -14.730 -7.351 1.00 0.00 H ATOM 510 N ILE A 61 7.226 -16.980 -9.876 1.00 12.45 N ATOM 511 CA ILE A 61 7.031 -18.260 -10.565 1.00 13.01 C ATOM 512 C ILE A 61 5.551 -18.602 -10.710 1.00 13.78 C ATOM 513 O ILE A 61 5.094 -19.003 -11.784 1.00 14.32 O ATOM 514 CB ILE A 61 7.772 -19.404 -9.822 1.00 12.96 C ATOM 515 CG1 ILE A 61 9.278 -19.300 -10.071 1.00 12.92 C ATOM 516 CG2 ILE A 61 7.256 -20.774 -10.243 1.00 13.45 C ATOM 517 CD1 ILE A 61 10.137 -20.078 -9.099 1.00 12.84 C ATOM 518 H ILE A 61 7.824 -16.957 -9.025 1.00 0.00 H ATOM 519 N MET A 62 4.786 -18.428 -9.642 1.00 13.76 N ATOM 520 CA MET A 62 3.371 -18.774 -9.695 1.00 14.82 C ATOM 521 C MET A 62 2.579 -17.769 -10.531 1.00 14.96 C ATOM 522 O MET A 62 1.697 -18.165 -11.290 1.00 15.45 O ATOM 523 CB MET A 62 2.810 -18.947 -8.282 1.00 15.68 C ATOM 524 CG MET A 62 3.432 -20.158 -7.582 1.00 16.46 C ATOM 525 SD MET A 62 2.957 -20.470 -5.883 1.00 17.39 S ATOM 526 CE MET A 62 3.462 -18.970 -5.052 1.00 16.77 C ATOM 527 H MET A 62 5.195 -18.045 -8.766 1.00 0.00 H ATOM 528 N THR A 63 2.921 -16.486 -10.434 1.00 15.13 N ATOM 529 CA THR A 63 2.245 -15.440 -11.211 1.00 16.78 C ATOM 530 C THR A 63 2.470 -15.610 -12.715 1.00 16.88 C ATOM 531 O THR A 63 1.545 -15.409 -13.507 1.00 17.87 O ATOM 532 CB THR A 63 2.713 -14.042 -10.760 1.00 17.30 C ATOM 533 OG1 THR A 63 2.449 -13.888 -9.357 1.00 18.84 O ATOM 534 CG2 THR A 63 1.999 -12.941 -11.537 1.00 18.46 C ATOM 535 HG1 THR A 63 2.940 -14.583 -8.852 1.00 0.00 H ATOM 536 H THR A 63 3.690 -16.217 -9.788 1.00 0.00 H ATOM 537 N LYS A 64 3.687 -15.989 -13.103 1.00 16.69 N ATOM 538 CA LYS A 64 4.028 -16.226 -14.512 1.00 17.90 C ATOM 539 C LYS A 64 3.638 -17.619 -15.003 1.00 18.05 C ATOM 540 O LYS A 64 3.876 -17.958 -16.164 1.00 18.53 O ATOM 541 CB LYS A 64 5.526 -15.993 -14.750 1.00 18.69 C ATOM 542 CG LYS A 64 5.984 -14.562 -14.514 1.00 20.48 C ATOM 543 CD LYS A 64 5.329 -13.542 -15.437 1.00 23.37 C ATOM 544 CE LYS A 64 5.752 -13.695 -16.892 1.00 25.51 C ATOM 545 NZ LYS A 64 7.175 -13.319 -17.137 1.00 27.36 N ATOM 546 HZ1 LYS A 64 7.320 -12.324 -16.872 1.00 0.00 H ATOM 547 HZ2 LYS A 64 7.796 -13.926 -16.565 1.00 0.00 H ATOM 548 HZ3 LYS A 64 7.397 -13.446 -18.145 1.00 0.00 H ATOM 549 H LYS A 64 4.423 -16.122 -12.381 1.00 0.00 H ATOM 550 N ARG A 65 3.026 -18.422 -14.135 1.00 18.00 N ATOM 551 CA ARG A 65 2.508 -19.733 -14.512 1.00 19.58 C ATOM 552 C ARG A 65 3.624 -20.678 -14.970 1.00 17.76 C ATOM 553 O ARG A 65 3.441 -21.459 -15.897 1.00 18.00 O ATOM 554 CB ARG A 65 1.418 -19.602 -15.593 1.00 23.51 C ATOM 555 CG ARG A 65 0.130 -18.951 -15.114 1.00 27.51 C ATOM 556 CD ARG A 65 -0.723 -19.945 -14.337 1.00 31.82 C ATOM 557 NE ARG A 65 -2.110 -19.510 -14.187 1.00 38.17 N ATOM 558 CZ ARG A 65 -3.065 -20.220 -13.587 1.00 41.08 C ATOM 559 NH1 ARG A 65 -2.798 -21.415 -13.064 1.00 42.77 N ATOM 560 NH2 ARG A 65 -4.300 -19.732 -13.508 1.00 45.58 N ATOM 561 HE ARG A 65 -2.370 -18.581 -14.576 1.00 0.00 H ATOM 562 HH12 ARG A 65 -3.552 -21.959 -12.598 1.00 0.00 H ATOM 563 HH11 ARG A 65 -1.835 -21.804 -13.121 1.00 0.00 H ATOM 564 HH22 ARG A 65 -5.048 -20.283 -13.041 1.00 0.00 H ATOM 565 HH21 ARG A 65 -4.518 -18.799 -13.914 1.00 0.00 H ATOM 566 H ARG A 65 2.913 -18.103 -13.152 1.00 0.00 H ATOM 567 N LEU A 66 4.769 -20.619 -14.297 1.00 16.08 N ATOM 568 CA LEU A 66 5.902 -21.469 -14.647 1.00 16.03 C ATOM 569 C LEU A 66 5.930 -22.787 -13.880 1.00 16.95 C ATOM 570 O LEU A 66 6.811 -23.601 -14.131 1.00 17.21 O ATOM 571 CB LEU A 66 7.223 -20.725 -14.426 1.00 15.64 C ATOM 572 CG LEU A 66 7.323 -19.327 -15.051 1.00 15.71 C ATOM 573 CD1 LEU A 66 8.652 -18.685 -14.687 1.00 15.17 C ATOM 574 CD2 LEU A 66 7.137 -19.342 -16.564 1.00 16.28 C ATOM 575 H LEU A 66 4.859 -19.952 -13.504 1.00 0.00 H ATOM 576 N TYR A 67 4.982 -22.979 -12.957 1.00 17.64 N ATOM 577 CA TYR A 67 4.891 -24.206 -12.150 1.00 18.01 C ATOM 578 C TYR A 67 3.429 -24.648 -11.998 1.00 19.66 C ATOM 579 O TYR A 67 2.880 -24.666 -10.896 1.00 19.29 O ATOM 580 CB TYR A 67 5.567 -23.976 -10.787 1.00 17.58 C ATOM 581 CG TYR A 67 5.613 -25.178 -9.857 1.00 17.52 C ATOM 582 CD1 TYR A 67 5.935 -26.450 -10.327 1.00 18.17 C ATOM 583 CD2 TYR A 67 5.358 -25.032 -8.502 1.00 18.11 C ATOM 584 CE1 TYR A 67 5.975 -27.542 -9.474 1.00 18.58 C ATOM 585 CE2 TYR A 67 5.405 -26.117 -7.647 1.00 17.73 C ATOM 586 CZ TYR A 67 5.717 -27.366 -8.136 1.00 18.27 C ATOM 587 OH TYR A 67 5.745 -28.436 -7.270 1.00 19.14 O ATOM 588 HH TYR A 67 5.983 -29.257 -7.769 1.00 0.00 H ATOM 589 H TYR A 67 4.279 -22.229 -12.803 1.00 0.00 H ATOM 590 N ASP A 68 2.806 -24.996 -13.122 1.00 21.52 N ATOM 591 CA ASP A 68 1.396 -25.406 -13.141 1.00 23.40 C ATOM 592 C ASP A 68 1.223 -26.848 -12.669 1.00 25.23 C ATOM 593 O ASP A 68 0.290 -27.144 -11.920 1.00 27.88 O ATOM 594 CB ASP A 68 0.795 -25.267 -14.548 1.00 25.06 C ATOM 595 CG ASP A 68 0.480 -23.821 -14.934 1.00 26.75 C ATOM 596 OD1 ASP A 68 0.481 -22.925 -14.064 1.00 27.01 O ATOM 597 OD2 ASP A 68 0.210 -23.589 -16.135 1.00 29.23 O ATOM 598 H ASP A 68 3.336 -24.977 -14.017 1.00 0.00 H ATOM 599 N GLU A 69 2.108 -27.742 -13.106 1.00 25.64 N ATOM 600 CA GLU A 69 2.002 -29.158 -12.758 1.00 27.93 C ATOM 601 C GLU A 69 2.724 -29.434 -11.441 1.00 25.55 C ATOM 602 O GLU A 69 3.916 -29.732 -11.431 1.00 24.90 O ATOM 603 CB GLU A 69 2.564 -30.036 -13.887 1.00 31.08 C ATOM 604 CG GLU A 69 2.504 -31.536 -13.608 1.00 35.78 C ATOM 605 CD GLU A 69 1.140 -31.999 -13.131 1.00 38.41 C ATOM 606 OE1 GLU A 69 0.126 -31.574 -13.723 1.00 43.54 O ATOM 607 OE2 GLU A 69 1.085 -32.784 -12.159 1.00 41.02 O ATOM 608 H GLU A 69 2.894 -27.425 -13.709 1.00 0.00 H ATOM 609 N LYS A 70 1.990 -29.359 -10.334 1.00 25.52 N ATOM 610 CA LYS A 70 2.616 -29.337 -9.008 1.00 23.68 C ATOM 611 C LYS A 70 3.364 -30.633 -8.678 1.00 24.93 C ATOM 612 O LYS A 70 4.480 -30.596 -8.153 1.00 22.81 O ATOM 613 CB LYS A 70 1.572 -29.046 -7.919 1.00 22.98 C ATOM 614 CG LYS A 70 0.751 -27.779 -8.135 1.00 23.05 C ATOM 615 CD LYS A 70 1.608 -26.526 -8.127 1.00 21.56 C ATOM 616 CE LYS A 70 0.767 -25.282 -8.360 1.00 21.29 C ATOM 617 NZ LYS A 70 1.614 -24.061 -8.403 1.00 20.23 N ATOM 618 HZ1 LYS A 70 2.117 -23.958 -7.499 1.00 0.00 H ATOM 619 HZ2 LYS A 70 2.303 -24.146 -9.177 1.00 0.00 H ATOM 620 HZ3 LYS A 70 1.012 -23.228 -8.563 1.00 0.00 H ATOM 621 H LYS A 70 0.954 -29.315 -10.410 1.00 0.00 H ATOM 622 N GLN A 71 2.749 -31.771 -8.998 1.00 25.58 N ATOM 623 CA GLN A 71 3.318 -33.084 -8.674 1.00 27.53 C ATOM 624 C GLN A 71 4.553 -33.474 -9.493 1.00 28.26 C ATOM 625 O GLN A 71 5.271 -34.401 -9.113 1.00 28.70 O ATOM 626 CB GLN A 71 2.247 -34.173 -8.807 1.00 30.58 C ATOM 627 CG GLN A 71 1.240 -34.164 -7.672 1.00 32.23 C ATOM 628 CD GLN A 71 0.022 -35.023 -7.964 1.00 34.47 C ATOM 629 OE1 GLN A 71 -0.748 -34.733 -8.882 1.00 37.63 O ATOM 630 NE2 GLN A 71 -0.165 -36.080 -7.178 1.00 36.21 N ATOM 631 HE22 GLN A 71 0.511 -36.287 -6.415 1.00 0.00 H ATOM 632 HE21 GLN A 71 -0.987 -36.700 -7.327 1.00 0.00 H ATOM 633 H GLN A 71 1.836 -31.727 -9.494 1.00 0.00 H ATOM 634 N GLN A 72 4.797 -32.782 -10.604 1.00 26.77 N ATOM 635 CA GLN A 72 6.002 -33.011 -11.410 1.00 26.98 C ATOM 636 C GLN A 72 7.222 -32.295 -10.807 1.00 24.46 C ATOM 637 O GLN A 72 8.360 -32.685 -11.076 1.00 25.09 O ATOM 638 CB GLN A 72 5.761 -32.576 -12.865 1.00 28.73 C ATOM 639 CG GLN A 72 6.934 -32.775 -13.820 1.00 31.82 C ATOM 640 CD GLN A 72 6.611 -32.365 -15.252 1.00 35.02 C ATOM 641 OE1 GLN A 72 5.827 -31.440 -15.485 1.00 36.93 O ATOM 642 NE2 GLN A 72 7.219 -33.051 -16.223 1.00 36.91 N ATOM 643 HE22 GLN A 72 7.873 -33.823 -15.983 1.00 0.00 H ATOM 644 HE21 GLN A 72 7.039 -32.813 -17.219 1.00 0.00 H ATOM 645 H GLN A 72 4.115 -32.059 -10.909 1.00 0.00 H ATOM 646 N HIS A 73 6.984 -31.252 -10.007 1.00 21.50 N ATOM 647 CA HIS A 73 8.051 -30.540 -9.278 1.00 18.95 C ATOM 648 C HIS A 73 9.073 -29.825 -10.168 1.00 18.04 C ATOM 649 O HIS A 73 10.189 -29.559 -9.731 1.00 17.26 O ATOM 650 CB HIS A 73 8.782 -31.494 -8.324 1.00 19.27 C ATOM 651 CG HIS A 73 7.884 -32.130 -7.315 1.00 18.94 C ATOM 652 ND1 HIS A 73 7.566 -33.472 -7.338 1.00 19.78 N ATOM 653 CD2 HIS A 73 7.217 -31.602 -6.263 1.00 18.60 C ATOM 654 CE1 HIS A 73 6.747 -33.743 -6.336 1.00 19.48 C ATOM 655 NE2 HIS A 73 6.519 -32.625 -5.671 1.00 18.88 N ATOM 656 H HIS A 73 6.003 -30.927 -9.893 1.00 0.00 H ATOM 657 N ILE A 74 8.684 -29.493 -11.393 1.00 18.06 N ATOM 658 CA ILE A 74 9.596 -28.851 -12.336 1.00 18.92 C ATOM 659 C ILE A 74 9.078 -27.479 -12.721 1.00 18.83 C ATOM 660 O ILE A 74 7.912 -27.317 -13.088 1.00 19.19 O ATOM 661 CB ILE A 74 9.804 -29.711 -13.599 1.00 20.83 C ATOM 662 CG1 ILE A 74 10.607 -30.966 -13.246 1.00 22.83 C ATOM 663 CG2 ILE A 74 10.529 -28.915 -14.682 1.00 21.29 C ATOM 664 CD1 ILE A 74 10.638 -32.008 -14.342 1.00 25.22 C ATOM 665 H ILE A 74 7.707 -29.695 -11.688 1.00 0.00 H ATOM 666 N VAL A 75 9.968 -26.496 -12.626 1.00 17.47 N ATOM 667 CA VAL A 75 9.714 -25.164 -13.149 1.00 17.73 C ATOM 668 C VAL A 75 10.264 -25.134 -14.562 1.00 18.48 C ATOM 669 O VAL A 75 11.431 -25.435 -14.769 1.00 19.18 O ATOM 670 CB VAL A 75 10.408 -24.088 -12.292 1.00 16.91 C ATOM 671 CG1 VAL A 75 10.303 -22.716 -12.943 1.00 17.78 C ATOM 672 CG2 VAL A 75 9.809 -24.076 -10.892 1.00 17.19 C ATOM 673 H VAL A 75 10.878 -26.687 -12.161 1.00 0.00 H ATOM 674 N TYR A 76 9.418 -24.808 -15.535 1.00 19.79 N ATOM 675 CA TYR A 76 9.888 -24.641 -16.915 1.00 20.74 C ATOM 676 C TYR A 76 10.001 -23.154 -17.239 1.00 19.80 C ATOM 677 O TYR A 76 8.999 -22.451 -17.333 1.00 20.52 O ATOM 678 CB TYR A 76 8.986 -25.354 -17.924 1.00 23.93 C ATOM 679 CG TYR A 76 9.570 -25.311 -19.320 1.00 26.97 C ATOM 680 CD1 TYR A 76 10.636 -26.139 -19.676 1.00 28.54 C ATOM 681 CD2 TYR A 76 9.091 -24.411 -20.274 1.00 29.08 C ATOM 682 CE1 TYR A 76 11.191 -26.087 -20.947 1.00 30.04 C ATOM 683 CE2 TYR A 76 9.636 -24.358 -21.545 1.00 31.18 C ATOM 684 CZ TYR A 76 10.685 -25.197 -21.878 1.00 31.40 C ATOM 685 OH TYR A 76 11.228 -25.141 -23.144 1.00 34.96 O ATOM 686 HH TYR A 76 11.963 -25.801 -23.216 1.00 0.00 H ATOM 687 H TYR A 76 8.411 -24.670 -15.315 1.00 0.00 H ATOM 688 N CYS A 77 11.235 -22.684 -17.385 1.00 19.94 N ATOM 689 CA CYS A 77 11.517 -21.248 -17.464 1.00 18.98 C ATOM 690 C CYS A 77 12.309 -20.837 -18.713 1.00 19.75 C ATOM 691 O CYS A 77 12.752 -19.699 -18.814 1.00 18.21 O ATOM 692 CB CYS A 77 12.255 -20.814 -16.188 1.00 18.18 C ATOM 693 SG CYS A 77 13.683 -21.825 -15.747 1.00 17.87 S ATOM 694 H CYS A 77 12.026 -23.356 -17.445 1.00 0.00 H ATOM 695 N SER A 78 12.432 -21.737 -19.688 1.00 20.36 N ATOM 696 CA SER A 78 13.289 -21.511 -20.858 1.00 21.82 C ATOM 697 C SER A 78 12.961 -20.230 -21.636 1.00 21.66 C ATOM 698 O SER A 78 13.862 -19.559 -22.150 1.00 21.98 O ATOM 699 CB SER A 78 13.209 -22.718 -21.797 1.00 23.49 C ATOM 700 OG SER A 78 14.185 -22.629 -22.816 1.00 26.99 O ATOM 701 HG SER A 78 14.036 -21.804 -23.343 1.00 0.00 H ATOM 702 H SER A 78 11.903 -22.630 -19.618 1.00 0.00 H ATOM 703 N ASN A 79 11.679 -19.893 -21.727 1.00 21.53 N ATOM 704 CA ASN A 79 11.241 -18.720 -22.485 1.00 22.51 C ATOM 705 C ASN A 79 10.864 -17.523 -21.608 1.00 20.60 C ATOM 706 O ASN A 79 10.283 -16.545 -22.080 1.00 22.80 O ATOM 707 CB ASN A 79 10.083 -19.115 -23.400 1.00 25.32 C ATOM 708 CG ASN A 79 10.494 -20.155 -24.427 1.00 28.55 C ATOM 709 OD1 ASN A 79 9.987 -21.278 -24.434 1.00 32.97 O ATOM 710 ND2 ASN A 79 11.445 -19.795 -25.280 1.00 29.83 N ATOM 711 HD22 ASN A 79 11.845 -18.836 -25.238 1.00 0.00 H ATOM 712 HD21 ASN A 79 11.790 -20.472 -25.990 1.00 0.00 H ATOM 713 H ASN A 79 10.967 -20.479 -21.246 1.00 0.00 H ATOM 714 N ASP A 80 11.230 -17.596 -20.332 1.00 17.50 N ATOM 715 CA ASP A 80 10.935 -16.552 -19.372 1.00 16.62 C ATOM 716 C ASP A 80 12.226 -15.869 -18.946 1.00 15.31 C ATOM 717 O ASP A 80 13.307 -16.455 -19.005 1.00 14.92 O ATOM 718 CB ASP A 80 10.271 -17.174 -18.137 1.00 16.26 C ATOM 719 CG ASP A 80 9.672 -16.136 -17.205 1.00 16.27 C ATOM 720 OD1 ASP A 80 8.511 -15.736 -17.423 1.00 18.51 O ATOM 721 OD2 ASP A 80 10.352 -15.719 -16.248 1.00 15.47 O ATOM 722 H ASP A 80 11.750 -18.437 -20.010 1.00 0.00 H ATOM 723 N LEU A 81 12.098 -14.638 -18.468 1.00 15.21 N ATOM 724 CA LEU A 81 13.212 -13.951 -17.813 1.00 14.73 C ATOM 725 C LEU A 81 13.934 -14.818 -16.781 1.00 14.52 C ATOM 726 O LEU A 81 15.148 -14.720 -16.632 1.00 14.56 O ATOM 727 CB LEU A 81 12.733 -12.668 -17.131 1.00 15.11 C ATOM 728 CG LEU A 81 12.159 -11.581 -18.042 1.00 16.17 C ATOM 729 CD1 LEU A 81 11.687 -10.390 -17.224 1.00 16.79 C ATOM 730 CD2 LEU A 81 13.173 -11.142 -19.090 1.00 16.52 C ATOM 731 H LEU A 81 11.184 -14.150 -18.561 1.00 0.00 H ATOM 732 N LEU A 82 13.193 -15.647 -16.045 1.00 14.42 N ATOM 733 CA LEU A 82 13.802 -16.507 -15.037 1.00 14.23 C ATOM 734 C LEU A 82 14.813 -17.495 -15.617 1.00 14.46 C ATOM 735 O LEU A 82 15.825 -17.794 -14.984 1.00 13.92 O ATOM 736 CB LEU A 82 12.717 -17.263 -14.262 1.00 14.43 C ATOM 737 CG LEU A 82 13.202 -18.168 -13.131 1.00 14.55 C ATOM 738 CD1 LEU A 82 13.979 -17.380 -12.088 1.00 15.16 C ATOM 739 CD2 LEU A 82 12.007 -18.875 -12.512 1.00 14.95 C ATOM 740 H LEU A 82 12.164 -15.681 -16.192 1.00 0.00 H ATOM 741 N GLY A 83 14.538 -18.012 -16.811 1.00 15.27 N ATOM 742 CA GLY A 83 15.468 -18.918 -17.476 1.00 16.30 C ATOM 743 C GLY A 83 16.766 -18.217 -17.819 1.00 16.71 C ATOM 744 O GLY A 83 17.843 -18.803 -17.736 1.00 17.82 O ATOM 745 H GLY A 83 13.643 -17.766 -17.280 1.00 0.00 H ATOM 746 N ASP A 84 16.663 -16.950 -18.206 1.00 17.13 N ATOM 747 CA ASP A 84 17.847 -16.146 -18.494 1.00 18.24 C ATOM 748 C ASP A 84 18.595 -15.824 -17.202 1.00 18.02 C ATOM 749 O ASP A 84 19.827 -15.874 -17.161 1.00 19.13 O ATOM 750 CB ASP A 84 17.461 -14.843 -19.218 1.00 19.55 C ATOM 751 CG ASP A 84 18.186 -14.662 -20.527 1.00 21.47 C ATOM 752 OD1 ASP A 84 19.142 -15.417 -20.814 1.00 24.37 O ATOM 753 OD2 ASP A 84 17.778 -13.767 -21.288 1.00 19.88 O ATOM 754 H ASP A 84 15.720 -16.523 -18.306 1.00 0.00 H ATOM 755 N LEU A 85 17.851 -15.503 -16.147 1.00 17.24 N ATOM 756 CA LEU A 85 18.438 -15.205 -14.846 1.00 17.38 C ATOM 757 C LEU A 85 19.250 -16.389 -14.326 1.00 18.09 C ATOM 758 O LEU A 85 20.404 -16.235 -13.920 1.00 19.48 O ATOM 759 CB LEU A 85 17.342 -14.860 -13.839 1.00 17.62 C ATOM 760 CG LEU A 85 17.791 -14.388 -12.455 1.00 18.07 C ATOM 761 CD1 LEU A 85 18.407 -12.994 -12.533 1.00 19.62 C ATOM 762 CD2 LEU A 85 16.626 -14.411 -11.486 1.00 18.64 C ATOM 763 H LEU A 85 16.817 -15.463 -16.254 1.00 0.00 H ATOM 764 N PHE A 86 18.637 -17.567 -14.345 1.00 17.01 N ATOM 765 CA PHE A 86 19.266 -18.779 -13.806 1.00 17.47 C ATOM 766 C PHE A 86 20.204 -19.483 -14.794 1.00 18.83 C ATOM 767 O PHE A 86 21.061 -20.278 -14.380 1.00 20.41 O ATOM 768 CB PHE A 86 18.182 -19.763 -13.350 1.00 16.69 C ATOM 769 CG PHE A 86 17.573 -19.458 -11.998 1.00 16.80 C ATOM 770 CD1 PHE A 86 17.891 -18.307 -11.272 1.00 17.00 C ATOM 771 CD2 PHE A 86 16.667 -20.350 -11.446 1.00 17.03 C ATOM 772 CE1 PHE A 86 17.315 -18.069 -10.037 1.00 16.76 C ATOM 773 CE2 PHE A 86 16.087 -20.116 -10.212 1.00 17.32 C ATOM 774 CZ PHE A 86 16.413 -18.972 -9.508 1.00 16.78 C ATOM 775 H PHE A 86 17.683 -17.633 -14.754 1.00 0.00 H ATOM 776 N GLY A 87 20.044 -19.214 -16.087 1.00 19.27 N ATOM 777 CA GLY A 87 20.842 -19.873 -17.119 1.00 20.03 C ATOM 778 C GLY A 87 20.508 -21.343 -17.312 1.00 20.76 C ATOM 779 O GLY A 87 21.375 -22.138 -17.678 1.00 22.25 O ATOM 780 H GLY A 87 19.330 -18.514 -16.372 1.00 0.00 H ATOM 781 N VAL A 88 19.250 -21.707 -17.065 1.00 20.22 N ATOM 782 CA VAL A 88 18.771 -23.078 -17.274 1.00 19.71 C ATOM 783 C VAL A 88 17.381 -23.052 -17.908 1.00 19.02 C ATOM 784 O VAL A 88 16.632 -22.093 -17.720 1.00 19.79 O ATOM 785 CB VAL A 88 18.704 -23.893 -15.954 1.00 19.60 C ATOM 786 CG1 VAL A 88 20.070 -23.976 -15.291 1.00 20.11 C ATOM 787 CG2 VAL A 88 17.680 -23.317 -14.978 1.00 19.16 C ATOM 788 H VAL A 88 18.583 -20.992 -16.711 1.00 0.00 H ATOM 789 N PRO A 89 17.030 -24.108 -18.662 1.00 19.32 N ATOM 790 CA PRO A 89 15.694 -24.184 -19.260 1.00 19.27 C ATOM 791 C PRO A 89 14.625 -24.641 -18.275 1.00 19.11 C ATOM 792 O PRO A 89 13.444 -24.364 -18.478 1.00 18.94 O ATOM 793 CB PRO A 89 15.870 -25.226 -20.369 1.00 19.88 C ATOM 794 CG PRO A 89 16.955 -26.112 -19.860 1.00 20.38 C ATOM 795 CD PRO A 89 17.899 -25.207 -19.122 1.00 20.14 C ATOM 796 N SER A 90 15.051 -25.333 -17.220 1.00 18.31 N ATOM 797 CA SER A 90 14.149 -25.844 -16.201 1.00 18.17 C ATOM 798 C SER A 90 14.957 -26.241 -14.978 1.00 16.82 C ATOM 799 O SER A 90 16.180 -26.348 -15.039 1.00 17.27 O ATOM 800 CB SER A 90 13.374 -27.054 -16.723 1.00 19.58 C ATOM 801 OG SER A 90 14.259 -28.117 -17.034 1.00 21.71 O ATOM 802 HG SER A 90 14.756 -28.381 -16.219 1.00 0.00 H ATOM 803 H SER A 90 16.070 -25.515 -17.121 1.00 0.00 H ATOM 804 N PHE A 91 14.272 -26.438 -13.857 1.00 16.12 N ATOM 805 CA PHE A 91 14.922 -26.914 -12.641 1.00 15.78 C ATOM 806 C PHE A 91 13.880 -27.493 -11.699 1.00 15.10 C ATOM 807 O PHE A 91 12.690 -27.252 -11.862 1.00 15.25 O ATOM 808 CB PHE A 91 15.711 -25.789 -11.951 1.00 15.12 C ATOM 809 CG PHE A 91 14.862 -24.639 -11.495 1.00 14.49 C ATOM 810 CD1 PHE A 91 14.549 -23.595 -12.360 1.00 14.88 C ATOM 811 CD2 PHE A 91 14.372 -24.601 -10.199 1.00 14.22 C ATOM 812 CE1 PHE A 91 13.760 -22.538 -11.934 1.00 14.87 C ATOM 813 CE2 PHE A 91 13.580 -23.553 -9.773 1.00 14.38 C ATOM 814 CZ PHE A 91 13.273 -22.519 -10.634 1.00 14.98 C ATOM 815 H PHE A 91 13.249 -26.249 -13.846 1.00 0.00 H ATOM 816 N SER A 92 14.343 -28.257 -10.714 1.00 15.54 N ATOM 817 CA SER A 92 13.464 -28.895 -9.733 1.00 15.64 C ATOM 818 C SER A 92 13.238 -28.010 -8.518 1.00 14.65 C ATOM 819 O SER A 92 14.194 -27.487 -7.931 1.00 15.18 O ATOM 820 CB SER A 92 14.056 -30.229 -9.277 1.00 16.34 C ATOM 821 OG SER A 92 13.353 -30.743 -8.156 1.00 16.63 O ATOM 822 HG SER A 92 13.756 -31.605 -7.882 1.00 0.00 H ATOM 823 H SER A 92 15.369 -28.407 -10.638 1.00 0.00 H ATOM 824 N VAL A 93 11.982 -27.881 -8.107 1.00 14.14 N ATOM 825 CA VAL A 93 11.652 -27.110 -6.905 1.00 14.07 C ATOM 826 C VAL A 93 12.118 -27.798 -5.619 1.00 14.23 C ATOM 827 O VAL A 93 12.097 -27.184 -4.557 1.00 13.94 O ATOM 828 CB VAL A 93 10.142 -26.791 -6.798 1.00 14.42 C ATOM 829 CG1 VAL A 93 9.665 -25.990 -8.005 1.00 14.95 C ATOM 830 CG2 VAL A 93 9.304 -28.055 -6.607 1.00 14.82 C ATOM 831 H VAL A 93 11.219 -28.335 -8.648 1.00 0.00 H ATOM 832 N LYS A 94 12.524 -29.063 -5.718 1.00 14.56 N ATOM 833 CA LYS A 94 12.987 -29.831 -4.557 1.00 15.30 C ATOM 834 C LYS A 94 14.461 -29.615 -4.220 1.00 15.56 C ATOM 835 O LYS A 94 14.884 -29.918 -3.100 1.00 16.41 O ATOM 836 CB LYS A 94 12.793 -31.328 -4.805 1.00 17.24 C ATOM 837 CG LYS A 94 11.361 -31.801 -4.982 1.00 19.38 C ATOM 838 CD LYS A 94 11.313 -33.305 -4.762 1.00 22.02 C ATOM 839 CE LYS A 94 9.950 -33.901 -5.037 1.00 24.00 C ATOM 840 NZ LYS A 94 9.940 -35.347 -4.671 1.00 26.02 N ATOM 841 HZ1 LYS A 94 10.654 -35.851 -5.235 1.00 0.00 H ATOM 842 HZ2 LYS A 94 10.160 -35.449 -3.660 1.00 0.00 H ATOM 843 HZ3 LYS A 94 8.999 -35.746 -4.864 1.00 0.00 H ATOM 844 H LYS A 94 12.512 -29.522 -6.651 1.00 0.00 H ATOM 845 N GLU A 95 15.233 -29.114 -5.183 1.00 16.12 N ATOM 846 CA GLU A 95 16.692 -29.029 -5.070 1.00 16.43 C ATOM 847 C GLU A 95 17.108 -27.653 -4.559 1.00 15.19 C ATOM 848 O GLU A 95 17.518 -26.791 -5.331 1.00 14.97 O ATOM 849 CB GLU A 95 17.342 -29.309 -6.432 1.00 17.98 C ATOM 850 CG GLU A 95 17.092 -30.709 -6.974 1.00 19.75 C ATOM 851 CD GLU A 95 17.953 -31.763 -6.305 1.00 21.85 C ATOM 852 OE1 GLU A 95 18.832 -31.394 -5.498 1.00 23.14 O ATOM 853 OE2 GLU A 95 17.756 -32.963 -6.592 1.00 24.46 O ATOM 854 H GLU A 95 14.781 -28.768 -6.053 1.00 0.00 H ATOM 855 N HIS A 96 17.004 -27.452 -3.248 1.00 13.65 N ATOM 856 CA HIS A 96 17.109 -26.117 -2.676 1.00 12.56 C ATOM 857 C HIS A 96 18.507 -25.507 -2.695 1.00 12.54 C ATOM 858 O HIS A 96 18.649 -24.307 -2.925 1.00 12.28 O ATOM 859 CB HIS A 96 16.490 -26.089 -1.278 1.00 12.59 C ATOM 860 CG HIS A 96 15.034 -26.439 -1.277 1.00 12.61 C ATOM 861 ND1 HIS A 96 14.297 -26.587 -0.124 1.00 13.23 N ATOM 862 CD2 HIS A 96 14.181 -26.690 -2.299 1.00 12.53 C ATOM 863 CE1 HIS A 96 13.053 -26.904 -0.434 1.00 13.27 C ATOM 864 NE2 HIS A 96 12.956 -26.977 -1.749 1.00 13.09 N ATOM 865 H HIS A 96 16.844 -28.265 -2.619 1.00 0.00 H ATOM 866 N ARG A 97 19.537 -26.321 -2.483 1.00 12.78 N ATOM 867 CA ARG A 97 20.912 -25.832 -2.653 1.00 13.04 C ATOM 868 C ARG A 97 21.165 -25.352 -4.091 1.00 13.17 C ATOM 869 O ARG A 97 21.765 -24.302 -4.295 1.00 13.55 O ATOM 870 CB ARG A 97 21.935 -26.896 -2.230 1.00 13.34 C ATOM 871 CG ARG A 97 23.396 -26.564 -2.514 1.00 13.79 C ATOM 872 CD ARG A 97 23.858 -25.246 -1.911 1.00 13.34 C ATOM 873 NE ARG A 97 23.721 -25.242 -0.455 1.00 13.64 N ATOM 874 CZ ARG A 97 23.738 -24.151 0.301 1.00 13.85 C ATOM 875 NH1 ARG A 97 23.913 -22.947 -0.229 1.00 13.75 N ATOM 876 NH2 ARG A 97 23.577 -24.266 1.615 1.00 14.17 N ATOM 877 HE ARG A 97 23.602 -26.159 0.022 1.00 0.00 H ATOM 878 HH12 ARG A 97 23.923 -22.106 0.383 1.00 0.00 H ATOM 879 HH11 ARG A 97 24.040 -22.844 -1.256 1.00 0.00 H ATOM 880 HH22 ARG A 97 23.589 -23.418 2.217 1.00 0.00 H ATOM 881 HH21 ARG A 97 23.439 -25.204 2.042 1.00 0.00 H ATOM 882 H ARG A 97 19.369 -27.306 -2.196 1.00 0.00 H ATOM 883 N LYS A 98 20.691 -26.109 -5.077 1.00 13.74 N ATOM 884 CA LYS A 98 20.837 -25.694 -6.480 1.00 14.12 C ATOM 885 C LYS A 98 20.162 -24.338 -6.734 1.00 13.12 C ATOM 886 O LYS A 98 20.720 -23.474 -7.405 1.00 13.32 O ATOM 887 CB LYS A 98 20.274 -26.760 -7.418 1.00 16.09 C ATOM 888 CG LYS A 98 21.064 -28.056 -7.399 1.00 19.17 C ATOM 889 CD LYS A 98 20.716 -28.962 -8.567 1.00 22.16 C ATOM 890 CE LYS A 98 21.358 -30.334 -8.410 1.00 25.90 C ATOM 891 NZ LYS A 98 20.920 -31.272 -9.481 1.00 28.78 N ATOM 892 HZ1 LYS A 98 19.887 -31.386 -9.439 1.00 0.00 H ATOM 893 HZ2 LYS A 98 21.190 -30.887 -10.409 1.00 0.00 H ATOM 894 HZ3 LYS A 98 21.378 -32.195 -9.340 1.00 0.00 H ATOM 895 H LYS A 98 20.212 -27.004 -4.853 1.00 0.00 H ATOM 896 N ILE A 99 18.972 -24.156 -6.170 1.00 12.32 N ATOM 897 CA ILE A 99 18.239 -22.896 -6.300 1.00 12.07 C ATOM 898 C ILE A 99 18.994 -21.747 -5.628 1.00 11.71 C ATOM 899 O ILE A 99 19.173 -20.689 -6.226 1.00 12.31 O ATOM 900 CB ILE A 99 16.798 -23.026 -5.757 1.00 12.58 C ATOM 901 CG1 ILE A 99 15.987 -23.968 -6.651 1.00 13.50 C ATOM 902 CG2 ILE A 99 16.118 -21.663 -5.677 1.00 12.93 C ATOM 903 CD1 ILE A 99 14.762 -24.532 -5.979 1.00 14.04 C ATOM 904 H ILE A 99 18.550 -24.931 -5.620 1.00 0.00 H ATOM 905 N TYR A 100 19.447 -21.946 -4.394 1.00 11.78 N ATOM 906 CA TYR A 100 20.252 -20.927 -3.701 1.00 11.73 C ATOM 907 C TYR A 100 21.474 -20.517 -4.535 1.00 11.69 C ATOM 908 O TYR A 100 21.760 -19.325 -4.700 1.00 12.04 O ATOM 909 CB TYR A 100 20.656 -21.417 -2.283 1.00 11.75 C ATOM 910 CG TYR A 100 19.778 -20.812 -1.206 1.00 11.81 C ATOM 911 CD1 TYR A 100 18.411 -21.067 -1.178 1.00 11.77 C ATOM 912 CD2 TYR A 100 20.298 -19.940 -0.252 1.00 11.77 C ATOM 913 CE1 TYR A 100 17.591 -20.493 -0.221 1.00 11.74 C ATOM 914 CE2 TYR A 100 19.482 -19.349 0.701 1.00 11.71 C ATOM 915 CZ TYR A 100 18.130 -19.628 0.705 1.00 11.56 C ATOM 916 OH TYR A 100 17.307 -19.035 1.619 1.00 11.71 O ATOM 917 HH TYR A 100 16.378 -19.348 1.477 1.00 0.00 H ATOM 918 H TYR A 100 19.228 -22.839 -3.909 1.00 0.00 H ATOM 919 N THR A 101 22.162 -21.507 -5.090 1.00 12.35 N ATOM 920 CA THR A 101 23.345 -21.249 -5.900 1.00 12.85 C ATOM 921 C THR A 101 23.017 -20.377 -7.111 1.00 12.92 C ATOM 922 O THR A 101 23.732 -19.414 -7.385 1.00 13.07 O ATOM 923 CB THR A 101 23.983 -22.574 -6.352 1.00 13.65 C ATOM 924 OG1 THR A 101 24.287 -23.362 -5.186 1.00 14.09 O ATOM 925 CG2 THR A 101 25.243 -22.337 -7.158 1.00 14.62 C ATOM 926 HG1 THR A 101 23.453 -23.544 -4.685 1.00 0.00 H ATOM 927 H THR A 101 21.850 -22.488 -4.943 1.00 0.00 H ATOM 928 N MET A 102 21.938 -20.706 -7.820 1.00 12.79 N ATOM 929 CA MET A 102 21.543 -19.932 -9.002 1.00 12.81 C ATOM 930 C MET A 102 21.166 -18.504 -8.625 1.00 12.58 C ATOM 931 O MET A 102 21.454 -17.571 -9.370 1.00 13.87 O ATOM 932 CB MET A 102 20.398 -20.615 -9.757 1.00 13.36 C ATOM 933 CG MET A 102 20.818 -21.935 -10.395 1.00 14.25 C ATOM 934 SD MET A 102 19.561 -22.735 -11.413 1.00 16.42 S ATOM 935 CE MET A 102 18.370 -23.232 -10.170 1.00 16.62 C ATOM 936 H MET A 102 21.366 -21.525 -7.531 1.00 0.00 H ATOM 937 N ILE A 103 20.538 -18.328 -7.469 1.00 12.67 N ATOM 938 CA ILE A 103 20.175 -17.002 -6.991 1.00 12.21 C ATOM 939 C ILE A 103 21.403 -16.180 -6.601 1.00 12.42 C ATOM 940 O ILE A 103 21.488 -14.991 -6.931 1.00 12.69 O ATOM 941 CB ILE A 103 19.173 -17.096 -5.816 1.00 12.29 C ATOM 942 CG1 ILE A 103 17.834 -17.655 -6.306 1.00 12.64 C ATOM 943 CG2 ILE A 103 18.953 -15.733 -5.169 1.00 12.52 C ATOM 944 CD1 ILE A 103 16.897 -18.048 -5.180 1.00 13.03 C ATOM 945 H ILE A 103 20.299 -19.158 -6.890 1.00 0.00 H ATOM 946 N TYR A 104 22.352 -16.807 -5.906 1.00 12.77 N ATOM 947 CA TYR A 104 23.573 -16.115 -5.478 1.00 12.81 C ATOM 948 C TYR A 104 24.368 -15.484 -6.621 1.00 13.64 C ATOM 949 O TYR A 104 25.076 -14.504 -6.410 1.00 14.37 O ATOM 950 CB TYR A 104 24.497 -17.068 -4.704 1.00 13.08 C ATOM 951 CG TYR A 104 24.098 -17.349 -3.270 1.00 12.88 C ATOM 952 CD1 TYR A 104 23.680 -16.332 -2.420 1.00 12.65 C ATOM 953 CD2 TYR A 104 24.188 -18.633 -2.756 1.00 12.81 C ATOM 954 CE1 TYR A 104 23.339 -16.591 -1.103 1.00 12.54 C ATOM 955 CE2 TYR A 104 23.845 -18.906 -1.441 1.00 12.98 C ATOM 956 CZ TYR A 104 23.424 -17.877 -0.624 1.00 12.85 C ATOM 957 OH TYR A 104 23.091 -18.137 0.690 1.00 12.95 O ATOM 958 HH TYR A 104 23.877 -18.513 1.160 1.00 0.00 H ATOM 959 H TYR A 104 22.224 -17.810 -5.661 1.00 0.00 H ATOM 960 N ARG A 105 24.261 -16.049 -7.818 1.00 14.06 N ATOM 961 CA ARG A 105 24.972 -15.517 -8.984 1.00 15.00 C ATOM 962 C ARG A 105 24.400 -14.177 -9.448 1.00 15.27 C ATOM 963 O ARG A 105 25.017 -13.491 -10.271 1.00 16.87 O ATOM 964 CB ARG A 105 24.926 -16.530 -10.126 1.00 16.03 C ATOM 965 CG ARG A 105 25.603 -17.838 -9.763 1.00 17.83 C ATOM 966 CD ARG A 105 25.671 -18.798 -10.932 1.00 19.83 C ATOM 967 NE ARG A 105 26.439 -19.988 -10.569 1.00 21.06 N ATOM 968 CZ ARG A 105 26.029 -21.250 -10.675 1.00 22.05 C ATOM 969 NH1 ARG A 105 24.825 -21.564 -11.159 1.00 24.43 N ATOM 970 NH2 ARG A 105 26.848 -22.220 -10.295 1.00 21.64 N ATOM 971 HE ARG A 105 27.396 -19.834 -10.192 1.00 0.00 H ATOM 972 HH12 ARG A 105 24.536 -22.561 -11.228 1.00 0.00 H ATOM 973 HH11 ARG A 105 24.176 -20.812 -11.467 1.00 0.00 H ATOM 974 HH22 ARG A 105 26.548 -23.213 -10.369 1.00 0.00 H ATOM 975 HH21 ARG A 105 27.791 -21.988 -9.922 1.00 0.00 H ATOM 976 H ARG A 105 23.658 -16.889 -7.931 1.00 0.00 H ATOM 977 N ASN A 106 23.243 -13.801 -8.910 1.00 14.61 N ATOM 978 CA ASN A 106 22.482 -12.643 -9.371 1.00 14.83 C ATOM 979 C ASN A 106 22.275 -11.567 -8.302 1.00 14.49 C ATOM 980 O ASN A 106 21.294 -10.819 -8.315 1.00 15.54 O ATOM 981 CB ASN A 106 21.150 -13.146 -9.921 1.00 15.54 C ATOM 982 CG ASN A 106 21.331 -13.917 -11.205 1.00 17.45 C ATOM 983 OD1 ASN A 106 21.669 -13.329 -12.226 1.00 19.34 O ATOM 984 ND2 ASN A 106 21.152 -15.224 -11.165 1.00 16.92 N ATOM 985 HD22 ASN A 106 20.865 -15.683 -10.277 1.00 0.00 H ATOM 986 HD21 ASN A 106 21.298 -15.795 -12.022 1.00 0.00 H ATOM 987 H ASN A 106 22.861 -14.360 -8.121 1.00 0.00 H ATOM 988 N LEU A 107 23.226 -11.485 -7.379 1.00 13.66 N ATOM 989 CA LEU A 107 23.139 -10.546 -6.265 1.00 14.08 C ATOM 990 C LEU A 107 24.528 -10.238 -5.716 1.00 14.31 C ATOM 991 O LEU A 107 25.511 -10.878 -6.085 1.00 14.86 O ATOM 992 CB LEU A 107 22.218 -11.094 -5.162 1.00 14.21 C ATOM 993 CG LEU A 107 22.563 -12.462 -4.553 1.00 14.15 C ATOM 994 CD1 LEU A 107 23.716 -12.387 -3.561 1.00 14.78 C ATOM 995 CD2 LEU A 107 21.313 -13.044 -3.908 1.00 14.00 C ATOM 996 H LEU A 107 24.056 -12.107 -7.452 1.00 0.00 H ATOM 997 N VAL A 108 24.583 -9.228 -4.859 1.00 14.82 N ATOM 998 CA VAL A 108 25.762 -8.937 -4.055 1.00 15.46 C ATOM 999 C VAL A 108 25.406 -9.165 -2.588 1.00 15.63 C ATOM 1000 O VAL A 108 24.365 -8.719 -2.111 1.00 15.10 O ATOM 1001 CB VAL A 108 26.243 -7.485 -4.267 1.00 17.06 C ATOM 1002 CG1 VAL A 108 27.458 -7.181 -3.399 1.00 18.73 C ATOM 1003 CG2 VAL A 108 26.557 -7.244 -5.740 1.00 17.80 C ATOM 1004 H VAL A 108 23.748 -8.617 -4.756 1.00 0.00 H ATOM 1005 N VAL A 109 26.265 -9.891 -1.881 1.00 14.99 N ATOM 1006 CA VAL A 109 26.060 -10.140 -0.461 1.00 15.18 C ATOM 1007 C VAL A 109 26.486 -8.917 0.350 1.00 15.99 C ATOM 1008 O VAL A 109 27.588 -8.393 0.176 1.00 16.77 O ATOM 1009 CB VAL A 109 26.807 -11.410 0.010 1.00 15.55 C ATOM 1010 CG1 VAL A 109 26.592 -11.644 1.499 1.00 15.93 C ATOM 1011 CG2 VAL A 109 26.316 -12.615 -0.777 1.00 15.93 C ATOM 1012 H VAL A 109 27.102 -10.290 -2.352 1.00 0.00 H ATOM 1013 N VAL A 110 25.596 -8.469 1.233 1.00 15.75 N ATOM 1014 CA VAL A 110 25.839 -7.309 2.086 1.00 17.86 C ATOM 1015 C VAL A 110 26.856 -7.661 3.170 1.00 18.30 C ATOM 1016 O VAL A 110 26.845 -8.765 3.727 1.00 18.61 O ATOM 1017 CB VAL A 110 24.527 -6.822 2.748 1.00 18.70 C ATOM 1018 CG1 VAL A 110 24.795 -5.705 3.753 1.00 20.52 C ATOM 1019 CG2 VAL A 110 23.545 -6.352 1.685 1.00 19.08 C ATOM 1020 OXT VAL A 110 27.712 -6.843 3.521 1.00 20.07 O ATOM 1021 H VAL A 110 24.687 -8.967 1.319 1.00 0.00 H TER 1022 VAL A 110 HETATM 1023 O HOH 1 7.613 -36.268 -4.090 1.00 38.30 O HETATM 1024 O HOH 2 26.075 -4.042 -1.549 1.00 41.46 O HETATM 1025 O HOH 3 2.031 -12.276 -4.831 1.00 19.03 O HETATM 1026 O HOH 4 21.474 -16.104 11.652 1.00 34.69 O HETATM 1027 O HOH 5 0.157 -14.879 9.142 1.00 28.98 O HETATM 1028 O HOH 6 18.856 -12.239 -23.248 1.00 16.03 O HETATM 1029 O HOH 7 25.154 -17.623 12.186 1.00 24.67 O HETATM 1030 O HOH 8 -2.009 -25.957 -11.068 1.00 42.64 O HETATM 1031 O HOH 9 4.158 -11.082 -3.529 1.00 19.18 O HETATM 1032 O HOH 10 8.432 -35.477 -8.980 1.00 31.97 O HETATM 1033 O HOH 11 22.687 -26.916 2.955 1.00 16.67 O HETATM 1034 O HOH 12 19.667 -10.837 8.642 1.00 21.67 O HETATM 1035 O HOH 13 16.015 -3.558 -11.773 1.00 18.92 O HETATM 1036 O HOH 14 23.215 -11.073 -12.357 1.00 26.02 O HETATM 1037 O HOH 15 3.945 -10.690 1.774 1.00 21.42 O HETATM 1038 O HOH 16 25.382 -15.292 5.819 1.00 19.86 O HETATM 1039 O HOH 17 -0.982 -17.542 -11.124 1.00 16.17 O HETATM 1040 O HOH 18 6.354 -22.975 -17.923 1.00 33.05 O HETATM 1041 O HOH 19 9.554 -28.377 1.179 1.00 29.67 O HETATM 1042 O HOH 20 1.630 -11.804 -7.679 1.00 24.00 O HETATM 1043 O HOH 21 5.190 -16.420 3.622 1.00 19.88 O HETATM 1044 O HOH 22 3.825 -24.233 -15.689 1.00 27.23 O HETATM 1045 O HOH 23 27.758 -13.997 -7.081 1.00 31.18 O HETATM 1046 O HOH 24 -2.866 -16.830 -13.793 1.00 46.50 O HETATM 1047 O HOH 25 28.986 -10.453 4.424 1.00 17.69 O HETATM 1048 O HOH 26 28.007 -4.112 2.889 1.00 37.23 O HETATM 1049 O HOH 27 3.988 -26.193 -4.512 1.00 18.76 O HETATM 1050 O HOH 28 16.015 -18.653 8.650 1.00 23.67 O HETATM 1051 O HOH 29 6.176 -17.815 -2.615 1.00 15.18 O HETATM 1052 O HOH 30 9.986 -34.754 -12.145 1.00 42.08 O HETATM 1053 O HOH 31 17.535 -24.182 12.818 1.00 40.04 O HETATM 1054 O HOH 32 26.267 -24.995 -9.981 1.00 34.99 O HETATM 1055 O HOH 33 20.020 -29.087 -4.295 1.00 18.85 O HETATM 1056 O HOH 34 24.918 -10.788 4.340 1.00 18.82 O HETATM 1057 O HOH 35 25.218 -22.167 -2.757 1.00 15.05 O HETATM 1058 O HOH 36 11.036 -14.751 -24.182 1.00 24.16 O HETATM 1059 O HOH 37 4.994 -36.749 -7.483 1.00 42.19 O HETATM 1060 O HOH 38 25.988 -11.424 -12.349 1.00 38.40 O HETATM 1061 O HOH 39 29.993 -9.339 -1.109 1.00 26.05 O HETATM 1062 O HOH 40 7.814 -33.093 2.138 1.00 48.68 O HETATM 1063 O HOH 41 28.174 -5.583 -0.282 1.00 25.68 O HETATM 1064 O HOH 42 20.095 -3.904 -8.954 1.00 22.77 O HETATM 1065 O HOH 43 23.658 -27.936 0.662 1.00 17.72 O HETATM 1066 O HOH 44 5.657 -22.936 8.628 1.00 27.79 O HETATM 1067 O HOH 45 18.094 -12.105 10.661 1.00 42.79 O HETATM 1068 O HOH 46 4.317 -11.638 9.024 1.00 29.94 O HETATM 1069 O HOH 47 7.700 -27.418 8.080 1.00 37.09 O HETATM 1070 O HOH 48 9.366 -20.677 -20.038 1.00 24.91 O HETATM 1071 O HOH 49 3.056 -20.060 -18.497 1.00 43.35 O HETATM 1072 O HOH 50 -1.027 -29.701 -10.277 1.00 25.12 O HETATM 1073 O HOH 51 28.672 -11.036 -3.408 1.00 15.08 O HETATM 1074 O HOH 52 16.731 -18.665 -21.510 1.00 42.73 O HETATM 1075 O HOH 53 -1.862 -33.556 -15.122 1.00 39.69 O HETATM 1076 O HOH 54 16.346 1.207 -0.921 1.00 34.90 O HETATM 1077 O HOH 55 24.864 -14.218 -13.350 1.00 41.04 O HETATM 1078 O HOH 56 1.754 -9.392 -9.051 1.00 31.52 O HETATM 1079 O HOH 57 0.167 -9.969 4.816 1.00 33.14 O HETATM 1080 O HOH 58 8.062 -20.835 10.796 1.00 42.90 O HETATM 1081 O HOH 59 22.903 -3.845 -8.557 1.00 33.58 O HETATM 1082 O HOH 60 14.692 -20.973 9.514 1.00 25.26 O HETATM 1083 O HOH 61 -3.426 -35.547 -11.759 1.00 44.10 O HETATM 1084 O HOH 62 7.367 -18.960 -20.373 1.00 33.91 O HETATM 1085 O HOH 63 8.529 -14.632 -25.655 1.00 36.37 O HETATM 1086 O HOH 64 20.654 -1.744 -5.468 1.00 41.18 O HETATM 1087 O HOH 65 3.352 -10.227 -0.981 1.00 20.26 O HETATM 1088 O HOH 66 1.660 -9.187 2.595 1.00 34.96 O HETATM 1089 O HOH 67 14.400 -2.701 -14.041 1.00 38.21 O HETATM 1090 O HOH 68 21.552 -25.823 -11.322 1.00 41.52 O HETATM 1091 O HOH 69 17.875 -8.607 8.748 1.00 35.72 O HETATM 1092 O HOH 70 14.808 -19.897 2.079 1.00 12.56 O HETATM 1093 O HOH 71 19.446 -29.065 -1.465 1.00 15.59 O HETATM 1094 O HOH 72 19.481 -4.240 -5.109 1.00 20.60 O HETATM 1095 O HOH 73 17.346 -25.119 8.409 1.00 18.58 O HETATM 1096 O HOH 74 9.435 -4.711 -11.632 1.00 23.32 O HETATM 1097 O HOH 75 23.659 -5.455 -6.370 1.00 24.47 O HETATM 1098 O HOH 76 13.723 -3.079 -10.263 1.00 24.60 O HETATM 1099 O HOH 77 6.918 -16.521 -19.327 1.00 24.45 O HETATM 1100 O HOH 78 17.133 -28.892 -10.611 1.00 26.13 O HETATM 1101 O HOH 79 11.774 -20.552 9.496 1.00 26.19 O HETATM 1102 O HOH 80 9.408 -13.393 -18.947 1.00 26.48 O HETATM 1103 O HOH 81 12.507 -24.220 7.367 1.00 25.10 O HETATM 1104 O HOH 82 21.770 -29.851 -0.169 1.00 23.99 O HETATM 1105 O HOH 83 16.744 -31.964 -2.069 1.00 35.89 O HETATM 1106 O HOH 84 14.989 -23.647 8.699 1.00 27.20 O HETATM 1107 O HOH 85 19.311 -27.424 -11.707 1.00 31.88 O HETATM 1108 O HOH 86 25.151 -3.793 -4.433 1.00 36.94 O HETATM 1109 O HOH 87 11.248 -2.554 -11.453 1.00 30.49 O HETATM 1110 O HOH 88 6.804 -3.202 -6.297 1.00 30.76 O HETATM 1111 O HOH 89 9.573 -11.031 6.243 1.00 32.58 O HETATM 1112 O HOH 90 4.273 -16.672 -18.502 1.00 28.97 O HETATM 1113 O HOH 91 12.654 -18.182 10.804 1.00 37.29 O HETATM 1114 O HOH 92 14.136 -0.700 -8.879 1.00 32.05 O HETATM 1115 O HOH 93 23.541 -16.818 -13.730 1.00 34.70 O HETATM 1116 O HOH 94 7.233 -3.148 -10.654 1.00 38.32 O HETATM 1117 O HOH 95 15.915 -31.273 4.817 1.00 38.08 O HETATM 1118 O HOH 96 2.829 -9.479 -11.697 1.00 34.67 O HETATM 1119 O HOH 97 20.594 -30.236 2.515 1.00 28.11 O HETATM 1120 O HOH 98 5.278 -10.644 -12.266 1.00 30.82 O HETATM 1121 O HOH 99 8.114 -10.851 -16.457 1.00 41.57 O HETATM 1122 O HOH 100 9.423 -5.534 0.180 1.00 33.73 O HETATM 1123 O HOH 101 18.553 -27.490 -14.450 1.00 37.69 O HETATM 1124 O HOH 102 17.963 -28.148 9.083 1.00 30.72 O HETATM 1125 O HOH 103 16.915 -26.731 -8.388 1.00 38.49 O HETATM 1126 O HOH 104 8.174 -5.696 -14.132 1.00 36.43 O HETATM 1127 O HOH 105 14.917 -33.804 -3.146 1.00 38.63 O HETATM 1128 O HOH 106 3.637 -6.587 -12.182 1.00 39.23 O HETATM 1129 O HOH 107 20.187 -27.240 -16.949 1.00 50.01 O HETATM 1130 O HOH 108 14.560 -30.066 -14.809 1.00 45.72 O HETATM 1131 O HOH 109 9.672 -0.747 -9.666 1.00 45.76 O HETATM 1132 O HOH 110 18.157 -21.075 -20.629 1.00 46.35 O HETATM 1133 O HOH 111 14.611 -7.537 5.564 1.00 37.83 O HETATM 1134 O HOH 112 6.309 -9.044 2.103 1.00 47.45 O HETATM 1135 O HOH 113 12.980 -35.278 -1.523 1.00 46.80 O HETATM 1136 O HOH 114 18.515 -32.273 2.063 1.00 42.57 O HETATM 1137 O HOH 115 21.298 -29.751 -12.202 1.00 40.67 O HETATM 1138 O HOH 116 12.620 -29.549 2.041 1.00 29.23 O HETATM 1139 O HOH 117 6.160 -29.393 -12.799 1.00 27.76 O HETATM 1140 O HOH 118 9.169 -9.913 2.946 1.00 29.56 O HETATM 1141 O HOH 119 22.350 -18.450 -11.979 1.00 27.32 O HETATM 1142 C34 UNN A 120 12.427 -31.944 -0.623 1.00 0.06 C HETATM 1143 O5 UNN A 120 11.349 -32.858 -0.762 1.00 -0.32 O HETATM 1144 C31 UNN A 120 10.188 -32.363 -1.294 1.00 0.09 C HETATM 1145 C32 UNN A 120 10.068 -31.034 -1.728 1.00 -0.01 C HETATM 1146 C27 UNN A 120 8.860 -30.565 -2.267 1.00 0.06 C HETATM 1147 C28 UNN A 120 7.785 -31.446 -2.368 1.00 -0.05 C HETATM 1148 C29 UNN A 120 7.897 -32.767 -1.938 1.00 -0.07 C HETATM 1149 C30 UNN A 120 9.095 -33.224 -1.402 1.00 0.02 C HETATM 1150 C33 UNN A 120 9.202 -34.675 -0.936 1.00 0.05 C HETATM 1151 O7 UNN A 120 8.569 -35.003 0.088 1.00 -0.57 O HETATM 1152 O6 UNN A 120 9.916 -35.447 -1.609 1.00 -0.57 O HETATM 1153 H UNN A 120 7.050 -33.438 -2.022 1.00 0.06 H HETATM 1154 H UNN A 120 6.848 -31.099 -2.787 1.00 0.04 H HETATM 1155 N2 UNN A 120 8.653 -29.306 -2.721 1.00 -0.23 N HETATM 1156 C20 UNN A 120 9.423 -28.230 -2.498 1.00 0.20 C HETATM 1157 O2 UNN A 120 10.428 -28.189 -1.795 1.00 -0.38 O HETATM 1158 C19 UNN A 120 8.948 -26.957 -3.222 1.00 0.06 C HETATM 1159 C18 UNN A 120 8.335 -25.893 -2.327 1.00 0.07 C HETATM 1160 C5 UNN A 120 9.403 -25.192 -1.477 1.00 -0.02 C HETATM 1161 C3 UNN A 120 10.248 -24.249 -2.335 1.00 0.03 C HETATM 1162 C2 UNN A 120 9.359 -23.112 -2.916 1.00 0.09 C HETATM 1163 N1 UNN A 120 8.097 -23.609 -3.490 1.00 -0.25 N HETATM 1164 C17 UNN A 120 7.581 -24.880 -3.202 1.00 0.21 C HETATM 1165 O1 UNN A 120 6.510 -25.226 -3.696 1.00 -0.34 O HETATM 1166 C11 UNN A 120 7.269 -22.616 -4.205 1.00 0.07 C HETATM 1167 C12 UNN A 120 6.944 -23.010 -5.643 1.00 -0.02 C HETATM 1168 C35 UNN A 120 6.465 -21.836 -6.503 1.00 -0.05 C HETATM 1169 C36 UNN A 120 7.856 -22.427 -6.721 1.00 -0.05 C HETATM 1170 H UNN A 120 8.070 -23.006 -7.631 1.00 0.03 H HETATM 1171 H UNN A 120 8.748 -21.852 -6.434 1.00 0.03 H HETATM 1172 H UNN A 120 6.356 -20.836 -6.058 1.00 0.03 H HETATM 1173 H UNN A 120 5.678 -21.990 -7.255 1.00 0.03 H HETATM 1174 H UNN A 120 6.519 -24.022 -5.719 1.00 0.03 H HETATM 1175 C13 UNN A 120 5.982 -22.393 -3.384 1.00 0.09 C HETATM 1176 S1 UNN A 120 6.251 -21.773 -1.687 1.00 -0.02 S HETATM 1177 O3 UNN A 120 6.983 -20.483 -1.770 1.00 -0.17 O HETATM 1178 O4 UNN A 120 6.978 -22.787 -0.857 1.00 -0.17 O HETATM 1179 C14 UNN A 120 4.629 -21.523 -0.897 1.00 0.08 C HETATM 1180 C16 UNN A 120 3.829 -20.544 -1.756 1.00 -0.04 C HETATM 1181 H UNN A 120 2.843 -20.376 -1.299 1.00 0.03 H HETATM 1182 H UNN A 120 3.699 -20.963 -2.765 1.00 0.03 H HETATM 1183 H UNN A 120 4.370 -19.588 -1.823 1.00 0.03 H HETATM 1184 C37 UNN A 120 3.947 -22.895 -0.818 1.00 -0.04 C HETATM 1185 H UNN A 120 2.960 -22.787 -0.345 1.00 0.03 H HETATM 1186 H UNN A 120 4.567 -23.579 -0.220 1.00 0.03 H HETATM 1187 H UNN A 120 3.825 -23.303 -1.832 1.00 0.03 H HETATM 1188 C15 UNN A 120 4.865 -20.938 0.502 1.00 -0.04 C HETATM 1189 H UNN A 120 3.898 -20.778 1.000 1.00 0.03 H HETATM 1190 H UNN A 120 5.395 -19.978 0.413 1.00 0.03 H HETATM 1191 H UNN A 120 5.471 -21.639 1.095 1.00 0.03 H HETATM 1192 H UNN A 120 5.449 -23.353 -3.317 1.00 0.05 H HETATM 1193 H UNN A 120 5.357 -21.663 -3.920 1.00 0.05 H HETATM 1194 H UNN A 120 7.829 -21.670 -4.242 1.00 0.06 H HETATM 1195 C1 UNN A 120 10.207 -22.323 -3.946 1.00 -0.02 C HETATM 1196 C25 UNN A 120 10.722 -22.940 -5.083 1.00 -0.02 C HETATM 1197 C24 UNN A 120 11.490 -22.191 -5.959 1.00 0.14 C HETATM 1198 F1 UNN A 120 11.952 -22.815 -7.052 1.00 -0.18 F HETATM 1199 C23 UNN A 120 11.761 -20.849 -5.707 1.00 0.07 C HETATM 1200 CL2 UNN A 120 12.763 -19.921 -6.779 1.00 -0.08 CL HETATM 1201 C22 UNN A 120 11.260 -20.232 -4.576 1.00 -0.06 C HETATM 1202 C21 UNN A 120 10.481 -20.984 -3.697 1.00 -0.06 C HETATM 1203 H UNN A 120 10.082 -20.516 -2.804 1.00 0.05 H HETATM 1204 H UNN A 120 11.468 -19.187 -4.377 1.00 0.06 H HETATM 1205 H UNN A 120 10.525 -23.988 -5.279 1.00 0.05 H HETATM 1206 H UNN A 120 9.096 -22.430 -2.094 1.00 0.07 H HETATM 1207 C4 UNN A 120 11.411 -23.582 -1.546 1.00 -0.04 C HETATM 1208 C10 UNN A 120 12.702 -23.555 -2.088 1.00 -0.05 C HETATM 1209 C9 UNN A 120 13.738 -22.948 -1.399 1.00 0.03 C HETATM 1210 CL1 UNN A 120 15.322 -22.930 -2.098 1.00 -0.07 CL HETATM 1211 C8 UNN A 120 13.515 -22.348 -0.171 1.00 -0.05 C HETATM 1212 C7 UNN A 120 12.241 -22.373 0.378 1.00 -0.07 C HETATM 1213 C6 UNN A 120 11.188 -22.984 -0.306 1.00 -0.06 C HETATM 1214 H UNN A 120 10.195 -22.994 0.128 1.00 0.06 H HETATM 1215 H UNN A 120 12.062 -21.915 1.344 1.00 0.06 H HETATM 1216 H UNN A 120 14.328 -21.863 0.357 1.00 0.06 H HETATM 1217 H UNN A 120 12.891 -24.012 -3.053 1.00 0.06 H HETATM 1218 H UNN A 120 10.676 -24.832 -3.164 1.00 0.05 H HETATM 1219 H UNN A 120 10.058 -25.951 -1.023 1.00 0.03 H HETATM 1220 H UNN A 120 8.909 -24.612 -0.684 1.00 0.03 H HETATM 1221 C26 UNN A 120 7.289 -26.513 -1.386 1.00 -0.05 C HETATM 1222 H UNN A 120 6.515 -27.020 -1.981 1.00 0.02 H HETATM 1223 H UNN A 120 6.825 -25.721 -0.780 1.00 0.02 H HETATM 1224 H UNN A 120 7.778 -27.242 -0.723 1.00 0.02 H HETATM 1225 H UNN A 120 8.194 -27.251 -3.967 1.00 0.05 H HETATM 1226 H UNN A 120 9.815 -26.513 -3.733 1.00 0.05 H HETATM 1227 H UNN A 120 7.838 -29.163 -3.283 1.00 0.23 H HETATM 1228 H UNN A 120 10.916 -30.364 -1.646 1.00 0.04 H HETATM 1229 H UNN A 120 13.294 -32.463 -0.187 1.00 0.06 H HETATM 1230 H UNN A 120 12.124 -31.118 0.037 1.00 0.06 H HETATM 1231 H UNN A 120 12.698 -31.544 -1.611 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1142 1143 1229 1230 1231 CONECT 1143 1142 1144 CONECT 1144 1143 1145 1149 CONECT 1145 1144 1146 1228 CONECT 1146 1145 1147 1155 CONECT 1147 1146 1148 1154 CONECT 1148 1147 1149 1153 CONECT 1149 1144 1148 1150 CONECT 1150 1149 1151 1152 CONECT 1151 1150 CONECT 1152 1150 CONECT 1153 1148 CONECT 1154 1147 CONECT 1155 1146 1156 1227 CONECT 1156 1155 1157 1158 CONECT 1157 1156 CONECT 1158 1156 1159 1225 1226 CONECT 1159 1158 1160 1164 1221 CONECT 1160 1159 1161 1219 1220 CONECT 1161 1160 1162 1207 1218 CONECT 1162 1161 1163 1195 1206 CONECT 1163 1162 1164 1166 CONECT 1164 1159 1163 1165 CONECT 1165 1164 CONECT 1166 1163 1167 1175 1194 CONECT 1167 1166 1168 1169 1174 CONECT 1168 1167 1169 1172 1173 CONECT 1169 1167 1168 1170 1171 CONECT 1170 1169 CONECT 1171 1169 CONECT 1172 1168 CONECT 1173 1168 CONECT 1174 1167 CONECT 1175 1166 1176 1192 1193 CONECT 1176 1175 1177 1178 1179 CONECT 1177 1176 CONECT 1178 1176 CONECT 1179 1176 1180 1184 1188 CONECT 1180 1179 1181 1182 1183 CONECT 1181 1180 CONECT 1182 1180 CONECT 1183 1180 CONECT 1184 1179 1185 1186 1187 CONECT 1185 1184 CONECT 1186 1184 CONECT 1187 1184 CONECT 1188 1179 1189 1190 1191 CONECT 1189 1188 CONECT 1190 1188 CONECT 1191 1188 CONECT 1192 1175 CONECT 1193 1175 CONECT 1194 1166 CONECT 1195 1162 1196 1202 CONECT 1196 1195 1197 1205 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 1200 1201 CONECT 1200 1199 CONECT 1201 1199 1202 1204 CONECT 1202 1195 1201 1203 CONECT 1203 1202 CONECT 1204 1201 CONECT 1205 1196 CONECT 1206 1162 CONECT 1207 1161 1208 1213 CONECT 1208 1207 1209 1217 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 1212 1216 CONECT 1212 1211 1213 1215 CONECT 1213 1207 1212 1214 CONECT 1214 1213 CONECT 1215 1212 CONECT 1216 1211 CONECT 1217 1208 CONECT 1218 1161 CONECT 1219 1160 CONECT 1220 1160 CONECT 1221 1159 1222 1223 1224 CONECT 1222 1221 CONECT 1223 1221 CONECT 1224 1221 CONECT 1225 1158 CONECT 1226 1158 CONECT 1227 1155 CONECT 1228 1145 CONECT 1229 1142 CONECT 1230 1142 CONECT 1231 1142 MASTER 0 0 0 0 0 0 0 0 1230 1 94 9 END
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Related entries of code: 4wt2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rv1
RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
RCSB PDB
PDBbind
115aa, >2AXI_1|Chain... at 95%
2gv2
RCSB PDB
PDBbind
110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
108aa, >3TU1_1|Chain... at 100%
3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4wt2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
3UD
EC.Number
E.C.6.3.2
Resolution
1.42(Å)
Affinity (Kd/Ki/IC50)
Kd=38pM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 10499-10511
Ligand Properties
Formula
C
3
7
H
4
1
Cl
2
FN
2
O
7
S
Molecular Weight
747.700
Exact Mass
746.200
No. of atoms
91
No. of bonds
95
Polar Surface Area
138.46
LOGP Value
7.37 (
Computed with XLOGP3
)
9.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
Canonical SMILES
COc1cc(ccc1C(=O)O)NC(=O)C[C@@]1(C)C[C@H](c2cccc(c2)Cl)[C@H](N(C1=O)[C@@H](C1CC1)CS(=O)(=O)C(C)(C)C)c1ccc(c(c1)F)Cl
InChI String
InChI=1S/C37H41Cl2FN2O7S/c1-36(2,3)50(47,48)20-30(21-9-10-21)42-33(23-11-14-28(39)29(40)16-23)27(22-7-6-8-24(38)15-22)18-37(4,35(42)46)19-32(43)41-25-12-13-26(34(44)45)31(17-25)49-5/h6-8,11-17,21,27,30,33H,9-10,18-20H2,1-5H3,(H,41,43)(H,44,45)/t27-,30-,33-,37-/m1/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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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