Browse entries in the PDBbind-CN Database
HEADER 4LWT_COMPLEX COMPND 4LWT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 MET GLU LYS LEU VAL GLN PRO THR PRO LEU LEU LEU SER SEQRES 2 A 86 LEU LEU LYS SER ALA GLY ALA GLN LYS GLU THR PHE THR SEQRES 3 A 86 MET LYS GLU VAL LEU TYR HIS LEU GLY GLN TYR ILE MET SEQRES 4 A 86 ALA LYS GLN LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL SEQRES 5 A 86 HIS CYS SER ASN ASP PRO LEU GLY GLU LEU PHE GLY VAL SEQRES 6 A 86 GLN GLU PHE SER VAL LYS GLU HIS ARG ARG ILE TYR ALA SEQRES 7 A 86 MET ILE SER ARG ASN LEU VAL SER HET UNN A 188 50 ATOM 1 N MET A 20 -9.439 12.329 25.525 1.00 33.20 N ATOM 2 CA MET A 20 -8.211 11.633 25.046 1.00 31.59 C ATOM 3 C MET A 20 -6.964 12.448 25.369 1.00 29.15 C ATOM 4 O MET A 20 -6.936 13.658 25.146 1.00 28.23 O ATOM 5 CB MET A 20 -8.290 11.422 23.534 1.00 34.76 C ATOM 6 CG MET A 20 -8.436 12.715 22.748 1.00 39.72 C ATOM 7 SD MET A 20 -10.098 13.415 22.836 1.00 45.85 S ATOM 8 CE MET A 20 -9.810 15.081 22.228 1.00 43.43 C ATOM 9 HN3 MET A 20 -9.514 13.256 25.060 1.00 0.00 H ATOM 10 HN2 MET A 20 -9.382 12.461 26.555 1.00 0.00 H ATOM 11 HN1 MET A 20 -10.274 11.754 25.293 1.00 0.00 H ATOM 12 N GLU A 21 -5.936 11.785 25.891 1.00 25.67 N ATOM 13 CA GLU A 21 -4.637 12.426 26.067 1.00 22.90 C ATOM 14 C GLU A 21 -3.941 12.552 24.718 1.00 21.04 C ATOM 15 O GLU A 21 -4.060 11.669 23.868 1.00 21.62 O ATOM 16 CB GLU A 21 -3.759 11.611 27.018 1.00 23.34 C ATOM 17 CG GLU A 21 -2.280 11.988 26.984 1.00 23.27 C ATOM 18 CD GLU A 21 -1.991 13.363 27.565 1.00 23.69 C ATOM 19 OE1 GLU A 21 -2.859 14.259 27.474 1.00 25.39 O ATOM 20 OE2 GLU A 21 -0.884 13.547 28.116 1.00 24.12 O ATOM 21 H GLU A 21 -6.060 10.793 26.179 1.00 0.00 H ATOM 22 N LYS A 22 -3.215 13.649 24.535 1.00 18.73 N ATOM 23 CA LYS A 22 -2.548 13.935 23.269 1.00 17.74 C ATOM 24 C LYS A 22 -1.348 13.037 23.014 1.00 17.67 C ATOM 25 O LYS A 22 -0.461 12.891 23.864 1.00 17.41 O ATOM 26 CB LYS A 22 -2.104 15.398 23.226 1.00 19.86 C ATOM 27 CG LYS A 22 -1.370 15.778 21.949 1.00 23.59 C ATOM 28 CD LYS A 22 -1.193 17.283 21.843 1.00 26.87 C ATOM 29 CE LYS A 22 -0.346 17.650 20.634 1.00 29.70 C ATOM 30 NZ LYS A 22 -0.283 19.123 20.422 1.00 34.16 N ATOM 31 HZ1 LYS A 22 -1.244 19.492 20.270 1.00 0.00 H ATOM 32 HZ2 LYS A 22 0.134 19.575 21.260 1.00 0.00 H ATOM 33 HZ3 LYS A 22 0.304 19.327 19.588 1.00 0.00 H ATOM 34 H LYS A 22 -3.119 14.326 25.319 1.00 0.00 H ATOM 35 N LEU A 23 -1.324 12.443 21.827 1.00 14.30 N ATOM 36 CA LEU A 23 -0.230 11.585 21.416 1.00 13.72 C ATOM 37 C LEU A 23 0.771 12.406 20.616 1.00 14.79 C ATOM 38 O LEU A 23 0.389 13.198 19.749 1.00 17.64 O ATOM 39 CB LEU A 23 -0.767 10.434 20.568 1.00 13.72 C ATOM 40 CG LEU A 23 -1.710 9.497 21.321 1.00 14.85 C ATOM 41 CD1 LEU A 23 -2.397 8.544 20.356 1.00 16.94 C ATOM 42 CD2 LEU A 23 -0.906 8.726 22.361 1.00 18.17 C ATOM 43 H LEU A 23 -2.116 12.598 21.171 1.00 0.00 H ATOM 44 N VAL A 24 2.051 12.226 20.925 1.00 12.19 N ATOM 45 CA VAL A 24 3.111 12.944 20.229 1.00 12.28 C ATOM 46 C VAL A 24 3.927 11.991 19.371 1.00 12.26 C ATOM 47 O VAL A 24 3.876 10.773 19.551 1.00 10.70 O ATOM 48 CB VAL A 24 4.055 13.666 21.217 1.00 13.97 C ATOM 49 CG1 VAL A 24 3.265 14.670 22.046 1.00 14.73 C ATOM 50 CG2 VAL A 24 4.745 12.656 22.119 1.00 14.74 C ATOM 51 H VAL A 24 2.302 11.557 21.681 1.00 0.00 H ATOM 52 N GLN A 25 4.673 12.558 18.428 1.00 11.26 N ATOM 53 CA GLN A 25 5.325 11.778 17.387 1.00 11.51 C ATOM 54 C GLN A 25 6.807 12.120 17.342 1.00 11.76 C ATOM 55 O GLN A 25 7.204 13.136 16.774 1.00 12.20 O ATOM 56 CB GLN A 25 4.674 12.094 16.036 1.00 12.04 C ATOM 57 CG GLN A 25 5.290 11.372 14.855 1.00 11.85 C ATOM 58 CD GLN A 25 4.611 11.737 13.549 1.00 13.22 C ATOM 59 OE1 GLN A 25 3.683 12.550 13.526 1.00 14.22 O ATOM 60 NE2 GLN A 25 5.070 11.139 12.454 1.00 14.15 N ATOM 61 HE22 GLN A 25 5.855 10.460 12.522 1.00 0.00 H ATOM 62 HE21 GLN A 25 4.644 11.350 11.529 1.00 0.00 H ATOM 63 H GLN A 25 4.794 13.591 18.435 1.00 0.00 H ATOM 64 N PRO A 26 7.647 11.281 17.960 1.00 11.61 N ATOM 65 CA PRO A 26 9.091 11.533 17.964 1.00 11.80 C ATOM 66 C PRO A 26 9.695 11.561 16.570 1.00 11.65 C ATOM 67 O PRO A 26 9.345 10.751 15.709 1.00 14.61 O ATOM 68 CB PRO A 26 9.651 10.388 18.806 1.00 12.55 C ATOM 69 CG PRO A 26 8.515 10.043 19.727 1.00 11.38 C ATOM 70 CD PRO A 26 7.282 10.190 18.878 1.00 12.10 C ATOM 71 N THR A 27 10.600 12.506 16.357 1.00 11.76 N ATOM 72 CA THR A 27 11.364 12.571 15.121 1.00 10.65 C ATOM 73 C THR A 27 12.423 11.455 15.105 1.00 12.47 C ATOM 74 O THR A 27 12.607 10.753 16.101 1.00 11.67 O ATOM 75 CB THR A 27 11.999 13.978 14.970 1.00 12.65 C ATOM 76 OG1 THR A 27 12.666 14.342 16.183 1.00 13.41 O ATOM 77 CG2 THR A 27 10.915 15.015 14.673 1.00 13.63 C ATOM 78 HG1 THR A 27 13.377 13.681 16.379 1.00 0.00 H ATOM 79 H THR A 27 10.768 13.220 17.094 1.00 0.00 H ATOM 80 N PRO A 28 13.111 11.255 13.968 1.00 13.06 N ATOM 81 CA PRO A 28 13.870 10.012 13.775 1.00 12.43 C ATOM 82 C PRO A 28 14.897 9.626 14.845 1.00 12.60 C ATOM 83 O PRO A 28 14.939 8.465 15.258 1.00 14.31 O ATOM 84 CB PRO A 28 14.505 10.194 12.393 1.00 12.86 C ATOM 85 CG PRO A 28 13.526 11.079 11.676 1.00 12.91 C ATOM 86 CD PRO A 28 13.061 12.055 12.731 1.00 13.79 C ATOM 87 N LEU A 29 15.728 10.561 15.296 1.00 12.41 N ATOM 88 CA LEU A 29 16.731 10.189 16.290 1.00 11.88 C ATOM 89 C LEU A 29 16.062 9.807 17.608 1.00 13.26 C ATOM 90 O LEU A 29 16.369 8.764 18.183 1.00 12.83 O ATOM 91 CB LEU A 29 17.738 11.325 16.520 1.00 13.35 C ATOM 92 CG LEU A 29 18.854 11.017 17.528 1.00 15.24 C ATOM 93 CD1 LEU A 29 19.622 9.774 17.100 1.00 17.59 C ATOM 94 CD2 LEU A 29 19.785 12.213 17.636 1.00 15.92 C ATOM 95 H LEU A 29 15.665 11.539 14.947 1.00 0.00 H ATOM 96 N LEU A 30 15.138 10.631 18.090 1.00 13.27 N ATOM 97 CA LEU A 30 14.481 10.303 19.353 1.00 13.03 C ATOM 98 C LEU A 30 13.761 8.963 19.246 1.00 13.78 C ATOM 99 O LEU A 30 13.854 8.132 20.151 1.00 14.68 O ATOM 100 CB LEU A 30 13.484 11.392 19.757 1.00 11.94 C ATOM 101 CG LEU A 30 12.657 11.085 21.018 1.00 12.95 C ATOM 102 CD1 LEU A 30 13.582 10.795 22.195 1.00 15.82 C ATOM 103 CD2 LEU A 30 11.740 12.257 21.327 1.00 13.39 C ATOM 104 H LEU A 30 14.886 11.498 17.575 1.00 0.00 H ATOM 105 N LEU A 31 13.056 8.746 18.141 1.00 13.45 N ATOM 106 CA LEU A 31 12.348 7.482 17.946 1.00 15.36 C ATOM 107 C LEU A 31 13.315 6.307 18.024 1.00 16.83 C ATOM 108 O LEU A 31 13.014 5.281 18.636 1.00 16.69 O ATOM 109 CB LEU A 31 11.639 7.463 16.592 1.00 16.25 C ATOM 110 CG LEU A 31 10.795 6.210 16.344 1.00 16.38 C ATOM 111 CD1 LEU A 31 9.744 6.083 17.442 1.00 18.06 C ATOM 112 CD2 LEU A 31 10.140 6.293 14.977 1.00 16.98 C ATOM 113 H LEU A 31 13.007 9.482 17.408 1.00 0.00 H ATOM 114 N SER A 32 14.476 6.466 17.397 1.00 17.30 N ATOM 115 CA SER A 32 15.479 5.410 17.371 1.00 17.71 C ATOM 116 C SER A 32 15.906 5.040 18.785 1.00 17.52 C ATOM 117 O SER A 32 16.007 3.861 19.122 1.00 18.44 O ATOM 118 CB SER A 32 16.701 5.860 16.567 1.00 17.03 C ATOM 119 OG SER A 32 17.682 4.839 16.516 1.00 19.52 O ATOM 120 HG SER A 32 18.459 5.156 15.991 1.00 0.00 H ATOM 121 H SER A 32 14.673 7.365 16.914 1.00 0.00 H ATOM 122 N LEU A 33 16.147 6.050 19.615 1.00 17.91 N ATOM 123 CA LEU A 33 16.595 5.808 20.980 1.00 18.45 C ATOM 124 C LEU A 33 15.500 5.118 21.782 1.00 19.93 C ATOM 125 O LEU A 33 15.776 4.208 22.566 1.00 21.19 O ATOM 126 CB LEU A 33 16.987 7.120 21.668 1.00 19.91 C ATOM 127 CG LEU A 33 18.167 7.910 21.092 1.00 20.52 C ATOM 128 CD1 LEU A 33 18.585 8.975 22.095 1.00 21.82 C ATOM 129 CD2 LEU A 33 19.334 6.981 20.793 1.00 22.08 C ATOM 130 H LEU A 33 16.014 7.027 19.285 1.00 0.00 H ATOM 131 N LEU A 34 14.258 5.548 21.583 1.00 19.64 N ATOM 132 CA LEU A 34 13.135 4.968 22.310 1.00 18.89 C ATOM 133 C LEU A 34 12.947 3.505 21.924 1.00 20.16 C ATOM 134 O LEU A 34 12.691 2.655 22.780 1.00 21.07 O ATOM 135 CB LEU A 34 11.849 5.747 22.018 1.00 18.86 C ATOM 136 CG LEU A 34 11.867 7.243 22.341 1.00 18.18 C ATOM 137 CD1 LEU A 34 10.497 7.843 22.055 1.00 17.73 C ATOM 138 CD2 LEU A 34 12.254 7.458 23.799 1.00 20.60 C ATOM 139 H LEU A 34 14.084 6.311 20.898 1.00 0.00 H ATOM 140 N LYS A 35 13.080 3.207 20.637 1.00 20.39 N ATOM 141 CA LYS A 35 12.920 1.833 20.181 1.00 22.39 C ATOM 142 C LYS A 35 14.074 0.952 20.650 1.00 24.27 C ATOM 143 O LYS A 35 13.884 -0.237 20.915 1.00 23.94 O ATOM 144 CB LYS A 35 12.792 1.787 18.655 1.00 23.81 C ATOM 145 CG LYS A 35 11.497 2.411 18.148 1.00 23.92 C ATOM 146 CD LYS A 35 11.118 1.912 16.764 1.00 26.67 C ATOM 147 CE LYS A 35 9.696 2.326 16.412 1.00 28.20 C ATOM 148 NZ LYS A 35 9.288 1.871 15.053 1.00 29.47 N ATOM 149 HZ1 LYS A 35 9.927 2.284 14.344 1.00 0.00 H ATOM 150 HZ2 LYS A 35 9.341 0.833 15.006 1.00 0.00 H ATOM 151 HZ3 LYS A 35 8.313 2.179 14.864 1.00 0.00 H ATOM 152 H LYS A 35 13.299 3.958 19.952 1.00 0.00 H ATOM 153 N SER A 36 15.266 1.529 20.776 1.00 23.87 N ATOM 154 CA SER A 36 16.399 0.767 21.290 1.00 25.45 C ATOM 155 C SER A 36 16.162 0.404 22.754 1.00 25.85 C ATOM 156 O SER A 36 16.734 -0.561 23.265 1.00 26.06 O ATOM 157 CB SER A 36 17.701 1.564 21.150 1.00 26.36 C ATOM 158 OG SER A 36 17.796 2.592 22.122 1.00 27.42 O ATOM 159 HG SER A 36 17.035 3.217 22.015 1.00 0.00 H ATOM 160 H SER A 36 15.391 2.526 20.507 1.00 0.00 H ATOM 161 N ALA A 37 15.307 1.177 23.419 1.00 25.12 N ATOM 162 CA ALA A 37 14.958 0.924 24.813 1.00 25.80 C ATOM 163 C ALA A 37 13.727 0.032 24.934 1.00 26.79 C ATOM 164 O ALA A 37 13.291 -0.288 26.040 1.00 28.05 O ATOM 165 CB ALA A 37 14.719 2.244 25.543 1.00 26.45 C ATOM 166 H ALA A 37 14.874 1.986 22.930 1.00 0.00 H ATOM 167 N GLY A 38 13.159 -0.357 23.797 1.00 26.63 N ATOM 168 CA GLY A 38 12.072 -1.319 23.819 1.00 28.29 C ATOM 169 C GLY A 38 10.726 -0.795 23.361 1.00 28.47 C ATOM 170 O GLY A 38 9.737 -1.528 23.375 1.00 29.43 O ATOM 171 H GLY A 38 13.494 0.028 22.891 1.00 0.00 H ATOM 172 N ALA A 39 10.673 0.467 22.949 1.00 28.54 N ATOM 173 CA ALA A 39 9.429 1.034 22.438 1.00 29.33 C ATOM 174 C ALA A 39 9.028 0.324 21.147 1.00 29.41 C ATOM 175 O ALA A 39 9.885 -0.099 20.374 1.00 29.91 O ATOM 176 CB ALA A 39 9.598 2.530 22.190 1.00 29.01 C ATOM 177 H ALA A 39 11.528 1.058 22.991 1.00 0.00 H ATOM 178 N GLN A 40 7.725 0.198 20.917 1.00 31.81 N ATOM 179 CA GLN A 40 7.222 -0.601 19.802 1.00 33.24 C ATOM 180 C GLN A 40 6.338 0.175 18.825 1.00 32.98 C ATOM 181 O GLN A 40 5.988 -0.339 17.762 1.00 35.15 O ATOM 182 CB GLN A 40 6.442 -1.807 20.333 1.00 35.47 C ATOM 183 CG GLN A 40 7.256 -2.746 21.213 1.00 38.75 C ATOM 184 CD GLN A 40 8.170 -3.659 20.416 1.00 39.82 C ATOM 185 OE1 GLN A 40 8.232 -4.864 20.665 1.00 41.56 O ATOM 186 NE2 GLN A 40 8.887 -3.088 19.453 1.00 42.10 N ATOM 187 HE22 GLN A 40 8.803 -2.066 19.278 1.00 0.00 H ATOM 188 HE21 GLN A 40 9.532 -3.663 18.875 1.00 0.00 H ATOM 189 H GLN A 40 7.049 0.679 21.544 1.00 0.00 H ATOM 190 N LYS A 41 5.967 1.400 19.182 1.00 31.63 N ATOM 191 CA LYS A 41 5.082 2.195 18.333 1.00 30.15 C ATOM 192 C LYS A 41 5.727 3.505 17.882 1.00 27.65 C ATOM 193 O LYS A 41 6.896 3.759 18.169 1.00 27.94 O ATOM 194 CB LYS A 41 3.769 2.478 19.068 1.00 31.71 C ATOM 195 CG LYS A 41 3.942 3.035 20.469 1.00 32.09 C ATOM 196 CD LYS A 41 2.618 3.075 21.211 1.00 34.39 C ATOM 197 CE LYS A 41 2.778 3.695 22.589 1.00 34.45 C ATOM 198 NZ LYS A 41 1.464 3.952 23.240 1.00 36.84 N ATOM 199 HZ1 LYS A 41 0.909 4.605 22.651 1.00 0.00 H ATOM 200 HZ2 LYS A 41 0.949 3.055 23.344 1.00 0.00 H ATOM 201 HZ3 LYS A 41 1.620 4.375 24.177 1.00 0.00 H ATOM 202 H LYS A 41 6.311 1.799 20.079 1.00 0.00 H ATOM 203 N GLU A 42 4.965 4.330 17.168 1.00 26.74 N ATOM 204 CA GLU A 42 5.499 5.572 16.609 1.00 24.42 C ATOM 205 C GLU A 42 4.927 6.833 17.248 1.00 20.77 C ATOM 206 O GLU A 42 5.479 7.921 17.080 1.00 18.42 O ATOM 207 CB GLU A 42 5.260 5.625 15.099 1.00 28.05 C ATOM 208 CG GLU A 42 6.236 4.796 14.281 1.00 33.20 C ATOM 209 CD GLU A 42 5.847 3.335 14.217 1.00 36.33 C ATOM 210 OE1 GLU A 42 6.742 2.475 14.358 1.00 37.96 O ATOM 211 OE2 GLU A 42 4.647 3.048 14.023 1.00 39.18 O ATOM 212 H GLU A 42 3.967 4.086 17.004 1.00 0.00 H ATOM 213 N THR A 43 3.812 6.696 17.957 1.00 18.39 N ATOM 214 CA THR A 43 3.266 7.812 18.722 1.00 16.88 C ATOM 215 C THR A 43 3.073 7.390 20.169 1.00 16.50 C ATOM 216 O THR A 43 2.894 6.207 20.455 1.00 17.17 O ATOM 217 CB THR A 43 1.918 8.304 18.148 1.00 18.99 C ATOM 218 OG1 THR A 43 0.959 7.240 18.177 1.00 21.69 O ATOM 219 CG2 THR A 43 2.098 8.779 16.717 1.00 20.13 C ATOM 220 HG1 THR A 43 0.827 6.941 19.112 1.00 0.00 H ATOM 221 H THR A 43 3.321 5.779 17.967 1.00 0.00 H ATOM 222 N PHE A 44 3.121 8.365 21.072 1.00 13.14 N ATOM 223 CA PHE A 44 3.209 8.108 22.511 1.00 12.96 C ATOM 224 C PHE A 44 2.555 9.255 23.264 1.00 12.99 C ATOM 225 O PHE A 44 2.467 10.362 22.752 1.00 13.71 O ATOM 226 CB PHE A 44 4.672 8.049 22.962 1.00 13.16 C ATOM 227 CG PHE A 44 5.500 7.026 22.246 1.00 12.51 C ATOM 228 CD1 PHE A 44 6.192 7.360 21.092 1.00 13.20 C ATOM 229 CD2 PHE A 44 5.619 5.738 22.744 1.00 15.83 C ATOM 230 CE1 PHE A 44 6.985 6.430 20.451 1.00 14.60 C ATOM 231 CE2 PHE A 44 6.413 4.803 22.105 1.00 16.13 C ATOM 232 CZ PHE A 44 7.098 5.150 20.957 1.00 14.23 C ATOM 233 H PHE A 44 3.095 9.351 20.743 1.00 0.00 H ATOM 234 N THR A 45 2.124 9.003 24.497 1.00 13.62 N ATOM 235 CA THR A 45 1.825 10.102 25.403 1.00 13.15 C ATOM 236 C THR A 45 3.161 10.624 25.924 1.00 13.70 C ATOM 237 O THR A 45 4.171 9.925 25.857 1.00 13.30 O ATOM 238 CB THR A 45 0.986 9.633 26.597 1.00 15.27 C ATOM 239 OG1 THR A 45 1.750 8.700 27.374 1.00 14.66 O ATOM 240 CG2 THR A 45 -0.286 8.954 26.114 1.00 15.92 C ATOM 241 HG1 THR A 45 1.210 8.395 28.146 1.00 0.00 H ATOM 242 H THR A 45 2.001 8.020 24.814 1.00 0.00 H ATOM 243 N MET A 46 3.183 11.850 26.431 1.00 13.35 N ATOM 244 CA MET A 46 4.424 12.362 26.996 1.00 13.79 C ATOM 245 C MET A 46 4.899 11.464 28.135 1.00 15.59 C ATOM 246 O MET A 46 6.096 11.264 28.310 1.00 14.01 O ATOM 247 CB MET A 46 4.248 13.797 27.496 1.00 16.13 C ATOM 248 CG MET A 46 4.338 14.858 26.400 1.00 16.48 C ATOM 249 SD MET A 46 5.909 14.806 25.498 1.00 19.12 S ATOM 250 CE MET A 46 7.058 15.155 26.812 1.00 17.58 C ATOM 251 H MET A 46 2.325 12.438 26.425 1.00 0.00 H ATOM 252 N LYS A 47 3.956 10.915 28.898 1.00 15.10 N ATOM 253 CA LYS A 47 4.295 9.993 29.980 1.00 15.66 C ATOM 254 C LYS A 47 5.063 8.787 29.449 1.00 14.27 C ATOM 255 O LYS A 47 6.049 8.353 30.047 1.00 14.60 O ATOM 256 CB LYS A 47 3.024 9.521 30.692 1.00 17.09 C ATOM 257 CG LYS A 47 3.270 8.441 31.739 1.00 22.11 C ATOM 258 CD LYS A 47 2.063 8.268 32.648 1.00 25.34 C ATOM 259 CE LYS A 47 1.850 9.501 33.513 1.00 29.68 C ATOM 260 NZ LYS A 47 0.692 9.347 34.441 1.00 33.50 N ATOM 261 HZ1 LYS A 47 -0.174 9.186 33.889 1.00 0.00 H ATOM 262 HZ2 LYS A 47 0.859 8.536 35.070 1.00 0.00 H ATOM 263 HZ3 LYS A 47 0.587 10.212 35.009 1.00 0.00 H ATOM 264 H LYS A 47 2.958 11.147 28.720 1.00 0.00 H ATOM 265 N GLU A 48 4.617 8.249 28.318 1.00 13.93 N ATOM 266 CA GLU A 48 5.296 7.115 27.700 1.00 13.33 C ATOM 267 C GLU A 48 6.677 7.488 27.154 1.00 12.73 C ATOM 268 O GLU A 48 7.629 6.723 27.294 1.00 13.30 O ATOM 269 CB GLU A 48 4.423 6.534 26.584 1.00 14.11 C ATOM 270 CG GLU A 48 3.154 5.869 27.113 1.00 15.90 C ATOM 271 CD GLU A 48 2.220 5.409 26.014 1.00 21.36 C ATOM 272 OE1 GLU A 48 2.196 6.049 24.941 1.00 19.43 O ATOM 273 OE2 GLU A 48 1.503 4.406 26.228 1.00 23.03 O ATOM 274 H GLU A 48 3.768 8.644 27.865 1.00 0.00 H ATOM 275 N VAL A 49 6.792 8.664 26.542 1.00 12.28 N ATOM 276 CA VAL A 49 8.086 9.123 26.043 1.00 11.14 C ATOM 277 C VAL A 49 9.094 9.182 27.187 1.00 11.61 C ATOM 278 O VAL A 49 10.216 8.695 27.066 1.00 11.35 O ATOM 279 CB VAL A 49 7.973 10.528 25.395 1.00 10.37 C ATOM 280 CG1 VAL A 49 9.347 11.034 24.997 1.00 11.26 C ATOM 281 CG2 VAL A 49 7.065 10.460 24.169 1.00 10.89 C ATOM 282 H VAL A 49 5.951 9.263 26.418 1.00 0.00 H ATOM 283 N LEU A 50 8.671 9.759 28.305 1.00 11.53 N ATOM 284 CA LEU A 50 9.545 9.926 29.461 1.00 12.18 C ATOM 285 C LEU A 50 9.907 8.573 30.066 1.00 13.14 C ATOM 286 O LEU A 50 11.051 8.354 30.483 1.00 11.80 O ATOM 287 CB LEU A 50 8.856 10.810 30.504 1.00 13.49 C ATOM 288 CG LEU A 50 8.816 12.291 30.121 1.00 16.08 C ATOM 289 CD1 LEU A 50 7.761 13.032 30.941 1.00 19.32 C ATOM 290 CD2 LEU A 50 10.205 12.882 30.328 1.00 16.89 C ATOM 291 H LEU A 50 7.690 10.101 28.358 1.00 0.00 H ATOM 292 N TYR A 51 8.944 7.655 30.094 1.00 12.57 N ATOM 293 CA TYR A 51 9.222 6.317 30.605 1.00 13.92 C ATOM 294 C TYR A 51 10.312 5.629 29.786 1.00 13.17 C ATOM 295 O TYR A 51 11.282 5.108 30.338 1.00 12.07 O ATOM 296 CB TYR A 51 7.953 5.455 30.598 1.00 13.71 C ATOM 297 CG TYR A 51 8.228 4.032 31.036 1.00 13.99 C ATOM 298 CD1 TYR A 51 8.399 3.724 32.381 1.00 16.46 C ATOM 299 CD2 TYR A 51 8.397 3.018 30.105 1.00 15.29 C ATOM 300 CE1 TYR A 51 8.740 2.444 32.782 1.00 16.50 C ATOM 301 CE2 TYR A 51 8.738 1.738 30.496 1.00 16.93 C ATOM 302 CZ TYR A 51 8.911 1.459 31.837 1.00 16.18 C ATOM 303 OH TYR A 51 9.283 0.192 32.227 1.00 20.51 O ATOM 304 HH TYR A 51 10.155 -0.036 31.817 1.00 0.00 H ATOM 305 H TYR A 51 7.991 7.892 29.751 1.00 0.00 H ATOM 306 N HIS A 52 10.164 5.626 28.467 1.00 12.36 N ATOM 307 CA HIS A 52 11.126 4.943 27.620 1.00 12.80 C ATOM 308 C HIS A 52 12.494 5.620 27.654 1.00 12.73 C ATOM 309 O HIS A 52 13.523 4.957 27.566 1.00 12.44 O ATOM 310 CB HIS A 52 10.606 4.872 26.181 1.00 12.99 C ATOM 311 CG HIS A 52 9.443 3.946 26.009 1.00 16.20 C ATOM 312 ND1 HIS A 52 9.515 2.601 26.303 1.00 17.60 N ATOM 313 CD2 HIS A 52 8.176 4.171 25.585 1.00 18.23 C ATOM 314 CE1 HIS A 52 8.343 2.037 26.070 1.00 18.91 C ATOM 315 NE2 HIS A 52 7.513 2.968 25.634 1.00 20.18 N ATOM 316 H HIS A 52 9.354 6.116 28.037 1.00 0.00 H ATOM 317 N LEU A 53 12.510 6.941 27.793 1.00 12.31 N ATOM 318 CA LEU A 53 13.780 7.648 27.936 1.00 14.19 C ATOM 319 C LEU A 53 14.472 7.286 29.247 1.00 13.56 C ATOM 320 O LEU A 53 15.694 7.140 29.292 1.00 14.48 O ATOM 321 CB LEU A 53 13.561 9.162 27.868 1.00 16.11 C ATOM 322 CG LEU A 53 13.541 9.746 26.456 1.00 20.13 C ATOM 323 CD1 LEU A 53 13.128 11.206 26.505 1.00 19.82 C ATOM 324 CD2 LEU A 53 14.923 9.599 25.835 1.00 19.55 C ATOM 325 H LEU A 53 11.616 7.473 27.800 1.00 0.00 H ATOM 326 N GLY A 54 13.688 7.147 30.311 1.00 12.27 N ATOM 327 CA GLY A 54 14.239 6.709 31.582 1.00 12.64 C ATOM 328 C GLY A 54 14.838 5.316 31.489 1.00 11.34 C ATOM 329 O GLY A 54 15.875 5.034 32.090 1.00 10.55 O ATOM 330 H GLY A 54 12.672 7.353 30.233 1.00 0.00 H ATOM 331 N GLN A 55 14.194 4.440 30.727 1.00 13.01 N ATOM 332 CA GLN A 55 14.720 3.094 30.527 1.00 13.35 C ATOM 333 C GLN A 55 16.022 3.126 29.729 1.00 12.91 C ATOM 334 O GLN A 55 16.968 2.404 30.039 1.00 14.93 O ATOM 335 CB GLN A 55 13.682 2.230 29.806 1.00 13.14 C ATOM 336 CG GLN A 55 12.435 1.965 30.628 1.00 14.12 C ATOM 337 CD GLN A 55 12.719 1.138 31.872 1.00 13.60 C ATOM 338 OE1 GLN A 55 13.025 -0.051 31.779 1.00 15.82 O ATOM 339 NE2 GLN A 55 12.625 1.765 33.038 1.00 13.47 N ATOM 340 HE22 GLN A 55 12.363 2.771 33.068 1.00 0.00 H ATOM 341 HE21 GLN A 55 12.813 1.250 33.922 1.00 0.00 H ATOM 342 H GLN A 55 13.303 4.717 30.267 1.00 0.00 H ATOM 343 N TYR A 56 16.074 3.971 28.705 1.00 13.19 N ATOM 344 CA TYR A 56 17.288 4.120 27.909 1.00 13.22 C ATOM 345 C TYR A 56 18.457 4.607 28.771 1.00 13.54 C ATOM 346 O TYR A 56 19.556 4.062 28.715 1.00 13.84 O ATOM 347 CB TYR A 56 17.030 5.108 26.771 1.00 13.42 C ATOM 348 CG TYR A 56 18.246 5.429 25.937 1.00 13.41 C ATOM 349 CD1 TYR A 56 18.554 4.682 24.811 1.00 13.23 C ATOM 350 CD2 TYR A 56 19.090 6.479 26.281 1.00 13.37 C ATOM 351 CE1 TYR A 56 19.669 4.971 24.046 1.00 13.74 C ATOM 352 CE2 TYR A 56 20.209 6.773 25.523 1.00 14.13 C ATOM 353 CZ TYR A 56 20.490 6.014 24.407 1.00 12.79 C ATOM 354 OH TYR A 56 21.599 6.302 23.651 1.00 14.55 O ATOM 355 HH TYR A 56 22.410 6.218 24.212 1.00 0.00 H ATOM 356 H TYR A 56 15.234 4.536 28.466 1.00 0.00 H ATOM 357 N ILE A 57 18.210 5.640 29.567 1.00 12.75 N ATOM 358 CA ILE A 57 19.245 6.217 30.416 1.00 14.37 C ATOM 359 C ILE A 57 19.785 5.191 31.402 1.00 15.15 C ATOM 360 O ILE A 57 20.995 5.096 31.613 1.00 15.69 O ATOM 361 CB ILE A 57 18.695 7.438 31.173 1.00 14.36 C ATOM 362 CG1 ILE A 57 18.490 8.591 30.184 1.00 14.49 C ATOM 363 CG2 ILE A 57 19.629 7.821 32.310 1.00 16.06 C ATOM 364 CD1 ILE A 57 17.641 9.727 30.718 1.00 13.34 C ATOM 365 H ILE A 57 17.254 6.048 29.585 1.00 0.00 H ATOM 366 N MET A 58 18.887 4.408 31.989 1.00 16.26 N ATOM 367 CA MET A 58 19.294 3.352 32.907 1.00 19.29 C ATOM 368 C MET A 58 20.059 2.250 32.176 1.00 18.70 C ATOM 369 O MET A 58 21.088 1.774 32.657 1.00 20.69 O ATOM 370 CB MET A 58 18.063 2.761 33.593 1.00 20.98 C ATOM 371 CG MET A 58 18.380 1.698 34.618 1.00 26.43 C ATOM 372 SD MET A 58 16.896 1.170 35.472 1.00 33.72 S ATOM 373 CE MET A 58 16.372 2.713 36.219 1.00 32.73 C ATOM 374 H MET A 58 17.876 4.551 31.790 1.00 0.00 H ATOM 375 N ALA A 59 19.562 1.849 31.010 1.00 19.48 N ATOM 376 CA ALA A 59 20.193 0.779 30.242 1.00 18.85 C ATOM 377 C ALA A 59 21.607 1.158 29.807 1.00 21.38 C ATOM 378 O ALA A 59 22.500 0.311 29.767 1.00 22.65 O ATOM 379 CB ALA A 59 19.348 0.442 29.022 1.00 20.61 C ATOM 380 H ALA A 59 18.706 2.307 30.637 1.00 0.00 H ATOM 381 N LYS A 60 21.806 2.432 29.484 1.00 20.24 N ATOM 382 CA LYS A 60 23.107 2.917 29.033 1.00 19.94 C ATOM 383 C LYS A 60 23.995 3.310 30.210 1.00 19.57 C ATOM 384 O LYS A 60 25.159 3.669 30.024 1.00 20.94 O ATOM 385 CB LYS A 60 22.929 4.118 28.102 1.00 21.48 C ATOM 386 CG LYS A 60 22.247 3.794 26.780 1.00 22.53 C ATOM 387 CD LYS A 60 23.169 3.023 25.851 1.00 27.52 C ATOM 388 CE LYS A 60 22.414 2.515 24.635 1.00 29.50 C ATOM 389 NZ LYS A 60 21.446 1.444 25.001 1.00 33.41 N ATOM 390 HZ1 LYS A 60 21.959 0.646 25.428 1.00 0.00 H ATOM 391 HZ2 LYS A 60 20.757 1.820 25.683 1.00 0.00 H ATOM 392 HZ3 LYS A 60 20.949 1.121 24.147 1.00 0.00 H ATOM 393 H LYS A 60 21.013 3.101 29.555 1.00 0.00 H ATOM 394 N GLN A 61 23.435 3.241 31.414 1.00 19.30 N ATOM 395 CA GLN A 61 24.150 3.606 32.631 1.00 19.30 C ATOM 396 C GLN A 61 24.695 5.024 32.577 1.00 18.33 C ATOM 397 O GLN A 61 25.882 5.255 32.819 1.00 18.39 O ATOM 398 CB GLN A 61 25.295 2.626 32.885 1.00 23.41 C ATOM 399 CG GLN A 61 24.829 1.296 33.437 1.00 28.66 C ATOM 400 CD GLN A 61 24.215 1.423 34.815 1.00 30.53 C ATOM 401 OE1 GLN A 61 24.926 1.453 35.818 1.00 34.48 O ATOM 402 NE2 GLN A 61 22.888 1.495 34.872 1.00 32.47 N ATOM 403 HE22 GLN A 61 22.328 1.466 33.996 1.00 0.00 H ATOM 404 HE21 GLN A 61 22.411 1.581 35.792 1.00 0.00 H ATOM 405 H GLN A 61 22.451 2.915 31.490 1.00 0.00 H ATOM 406 N LEU A 62 23.819 5.973 32.269 1.00 15.09 N ATOM 407 CA LEU A 62 24.239 7.354 32.105 1.00 13.48 C ATOM 408 C LEU A 62 24.142 8.159 33.398 1.00 12.55 C ATOM 409 O LEU A 62 24.638 9.278 33.465 1.00 13.68 O ATOM 410 CB LEU A 62 23.410 8.029 31.011 1.00 10.85 C ATOM 411 CG LEU A 62 23.437 7.361 29.636 1.00 10.78 C ATOM 412 CD1 LEU A 62 22.626 8.210 28.673 1.00 12.26 C ATOM 413 CD2 LEU A 62 24.874 7.209 29.138 1.00 11.33 C ATOM 414 H LEU A 62 22.817 5.724 32.143 1.00 0.00 H ATOM 415 N TYR A 63 23.514 7.599 34.427 1.00 13.77 N ATOM 416 CA TYR A 63 23.430 8.301 35.703 1.00 13.00 C ATOM 417 C TYR A 63 24.799 8.468 36.337 1.00 14.04 C ATOM 418 O TYR A 63 25.635 7.566 36.285 1.00 15.18 O ATOM 419 CB TYR A 63 22.518 7.554 36.682 1.00 14.45 C ATOM 420 CG TYR A 63 21.048 7.667 36.358 1.00 14.99 C ATOM 421 CD1 TYR A 63 20.328 6.564 35.922 1.00 18.12 C ATOM 422 CD2 TYR A 63 20.377 8.876 36.494 1.00 16.93 C ATOM 423 CE1 TYR A 63 18.985 6.658 35.630 1.00 17.46 C ATOM 424 CE2 TYR A 63 19.032 8.981 36.204 1.00 16.67 C ATOM 425 CZ TYR A 63 18.343 7.869 35.771 1.00 17.02 C ATOM 426 OH TYR A 63 17.009 7.965 35.467 1.00 18.82 O ATOM 427 HH TYR A 63 16.674 7.080 35.175 1.00 0.00 H ATOM 428 H TYR A 63 23.082 6.659 34.322 1.00 0.00 H ATOM 429 N ASP A 64 25.023 9.630 36.941 1.00 13.49 N ATOM 430 CA ASP A 64 26.220 9.836 37.738 1.00 15.59 C ATOM 431 C ASP A 64 26.188 8.899 38.939 1.00 17.61 C ATOM 432 O ASP A 64 25.139 8.697 39.557 1.00 17.99 O ATOM 433 CB ASP A 64 26.293 11.282 38.219 1.00 14.83 C ATOM 434 CG ASP A 64 27.634 11.618 38.825 1.00 15.35 C ATOM 435 OD1 ASP A 64 27.780 11.503 40.063 1.00 15.93 O ATOM 436 OD2 ASP A 64 28.547 11.988 38.057 1.00 16.34 O ATOM 437 H ASP A 64 24.333 10.402 36.842 1.00 0.00 H ATOM 438 N GLU A 65 27.342 8.334 39.273 1.00 18.92 N ATOM 439 CA GLU A 65 27.414 7.343 40.338 1.00 22.73 C ATOM 440 C GLU A 65 27.211 7.955 41.720 1.00 22.29 C ATOM 441 O GLU A 65 26.671 7.306 42.618 1.00 23.36 O ATOM 442 CB GLU A 65 28.758 6.616 40.279 1.00 25.44 C ATOM 443 CG GLU A 65 28.972 5.842 38.988 1.00 29.95 C ATOM 444 CD GLU A 65 30.425 5.481 38.757 1.00 34.15 C ATOM 445 OE1 GLU A 65 31.177 6.336 38.237 1.00 34.96 O ATOM 446 OE2 GLU A 65 30.816 4.344 39.095 1.00 35.82 O ATOM 447 H GLU A 65 28.209 8.603 38.766 1.00 0.00 H ATOM 448 N LYS A 66 27.633 9.204 41.890 1.00 23.26 N ATOM 449 CA LYS A 66 27.567 9.855 43.195 1.00 25.08 C ATOM 450 C LYS A 66 26.333 10.737 43.317 1.00 25.02 C ATOM 451 O LYS A 66 25.582 10.639 44.286 1.00 26.81 O ATOM 452 CB LYS A 66 28.822 10.700 43.427 1.00 26.94 C ATOM 453 CG LYS A 66 30.125 9.980 43.126 1.00 30.82 C ATOM 454 CD LYS A 66 30.233 8.682 43.903 1.00 32.46 C ATOM 455 CE LYS A 66 31.532 7.960 43.582 1.00 35.63 C ATOM 456 NZ LYS A 66 31.620 6.646 44.278 1.00 36.17 N ATOM 457 HZ1 LYS A 66 31.574 6.796 45.306 1.00 0.00 H ATOM 458 HZ2 LYS A 66 30.827 6.043 43.979 1.00 0.00 H ATOM 459 HZ3 LYS A 66 32.520 6.185 44.033 1.00 0.00 H ATOM 460 H LYS A 66 28.018 9.727 41.078 1.00 0.00 H ATOM 461 N GLN A 67 26.124 11.608 42.337 1.00 24.28 N ATOM 462 CA GLN A 67 24.948 12.466 42.338 1.00 23.73 C ATOM 463 C GLN A 67 23.927 11.934 41.347 1.00 24.04 C ATOM 464 O GLN A 67 23.958 12.256 40.159 1.00 23.61 O ATOM 465 CB GLN A 67 25.343 13.895 41.985 1.00 23.88 C ATOM 466 CG GLN A 67 26.331 14.494 42.970 1.00 24.10 C ATOM 467 CD GLN A 67 26.609 15.951 42.698 1.00 23.89 C ATOM 468 OE1 GLN A 67 25.791 16.817 43.005 1.00 25.19 O ATOM 469 NE2 GLN A 67 27.769 16.233 42.121 1.00 24.26 N ATOM 470 HE22 GLN A 67 28.429 15.467 41.879 1.00 0.00 H ATOM 471 HE21 GLN A 67 28.018 17.220 41.910 1.00 0.00 H ATOM 472 H GLN A 67 26.810 11.678 41.558 1.00 0.00 H ATOM 473 N GLN A 68 23.015 11.120 41.861 1.00 23.81 N ATOM 474 CA GLN A 68 22.180 10.270 41.026 1.00 24.76 C ATOM 475 C GLN A 68 21.117 11.021 40.233 1.00 21.67 C ATOM 476 O GLN A 68 20.429 10.424 39.410 1.00 23.76 O ATOM 477 CB GLN A 68 21.517 9.192 41.884 1.00 28.17 C ATOM 478 CG GLN A 68 22.500 8.225 42.521 1.00 34.00 C ATOM 479 CD GLN A 68 21.823 7.244 43.456 1.00 36.87 C ATOM 480 OE1 GLN A 68 21.392 6.170 43.039 1.00 40.27 O ATOM 481 NE2 GLN A 68 21.725 7.611 44.729 1.00 38.04 N ATOM 482 HE22 GLN A 68 22.104 8.529 45.036 1.00 0.00 H ATOM 483 HE21 GLN A 68 21.269 6.980 45.418 1.00 0.00 H ATOM 484 H GLN A 68 22.893 11.088 42.893 1.00 0.00 H ATOM 485 N HIS A 69 20.982 12.322 40.470 1.00 21.03 N ATOM 486 CA HIS A 69 20.024 13.122 39.707 1.00 19.63 C ATOM 487 C HIS A 69 20.626 13.604 38.389 1.00 19.17 C ATOM 488 O HIS A 69 19.917 14.114 37.515 1.00 17.40 O ATOM 489 CB HIS A 69 19.534 14.322 40.536 1.00 20.51 C ATOM 490 CG HIS A 69 20.618 15.274 40.940 1.00 20.13 C ATOM 491 ND1 HIS A 69 20.765 16.520 40.372 1.00 21.36 N ATOM 492 CD2 HIS A 69 21.611 15.159 41.854 1.00 19.29 C ATOM 493 CE1 HIS A 69 21.803 17.131 40.914 1.00 18.47 C ATOM 494 NE2 HIS A 69 22.334 16.326 41.817 1.00 22.50 N ATOM 495 H HIS A 69 21.563 12.775 41.204 1.00 0.00 H ATOM 496 N ILE A 70 21.936 13.427 38.245 1.00 16.61 N ATOM 497 CA ILE A 70 22.648 13.900 37.066 1.00 15.76 C ATOM 498 C ILE A 70 22.755 12.814 36.005 1.00 14.29 C ATOM 499 O ILE A 70 23.142 11.682 36.291 1.00 12.67 O ATOM 500 CB ILE A 70 24.075 14.376 37.427 1.00 15.57 C ATOM 501 CG1 ILE A 70 24.002 15.587 38.357 1.00 17.74 C ATOM 502 CG2 ILE A 70 24.843 14.721 36.166 1.00 16.24 C ATOM 503 CD1 ILE A 70 23.339 16.801 37.735 1.00 18.34 C ATOM 504 H ILE A 70 22.466 12.938 38.994 1.00 0.00 H ATOM 505 N VAL A 71 22.401 13.170 34.778 1.00 12.31 N ATOM 506 CA VAL A 71 22.539 12.271 33.638 1.00 10.19 C ATOM 507 C VAL A 71 23.672 12.763 32.740 1.00 10.45 C ATOM 508 O VAL A 71 23.676 13.916 32.305 1.00 13.47 O ATOM 509 CB VAL A 71 21.231 12.222 32.814 1.00 10.61 C ATOM 510 CG1 VAL A 71 21.402 11.307 31.616 1.00 12.62 C ATOM 511 CG2 VAL A 71 20.086 11.730 33.683 1.00 11.98 C ATOM 512 H VAL A 71 22.012 14.122 34.623 1.00 0.00 H ATOM 513 N HIS A 72 24.629 11.881 32.462 1.00 9.71 N ATOM 514 CA HIS A 72 25.776 12.214 31.625 1.00 11.15 C ATOM 515 C HIS A 72 25.512 11.875 30.167 1.00 12.50 C ATOM 516 O HIS A 72 25.232 10.721 29.831 1.00 13.62 O ATOM 517 CB HIS A 72 27.008 11.450 32.103 1.00 12.74 C ATOM 518 CG HIS A 72 27.579 11.979 33.379 1.00 12.01 C ATOM 519 ND1 HIS A 72 28.391 13.092 33.424 1.00 13.40 N ATOM 520 CD2 HIS A 72 27.444 11.558 34.658 1.00 12.52 C ATOM 521 CE1 HIS A 72 28.731 13.334 34.677 1.00 13.13 C ATOM 522 NE2 HIS A 72 28.170 12.418 35.446 1.00 13.65 N ATOM 523 H HIS A 72 24.556 10.921 32.855 1.00 0.00 H ATOM 524 N CYS A 73 25.605 12.880 29.299 1.00 12.70 N ATOM 525 CA CYS A 73 25.305 12.678 27.885 1.00 13.00 C ATOM 526 C CYS A 73 26.524 12.883 26.994 1.00 14.08 C ATOM 527 O CYS A 73 26.439 12.715 25.781 1.00 13.88 O ATOM 528 CB CYS A 73 24.197 13.635 27.433 1.00 12.74 C ATOM 529 SG CYS A 73 22.661 13.503 28.360 1.00 14.66 S ATOM 530 H CYS A 73 25.895 13.821 29.633 1.00 0.00 H ATOM 531 N SER A 74 27.653 13.253 27.587 1.00 14.33 N ATOM 532 CA SER A 74 28.805 13.678 26.797 1.00 16.50 C ATOM 533 C SER A 74 29.466 12.532 26.038 1.00 16.83 C ATOM 534 O SER A 74 30.307 12.760 25.161 1.00 18.64 O ATOM 535 CB SER A 74 29.843 14.355 27.699 1.00 17.88 C ATOM 536 OG SER A 74 30.259 13.490 28.739 1.00 19.80 O ATOM 537 HG SER A 74 29.476 13.239 29.291 1.00 0.00 H ATOM 538 H SER A 74 27.717 13.240 28.625 1.00 0.00 H ATOM 539 N ASN A 75 29.095 11.302 26.377 1.00 16.00 N ATOM 540 CA ASN A 75 29.663 10.130 25.722 1.00 17.21 C ATOM 541 C ASN A 75 28.603 9.331 24.960 1.00 15.30 C ATOM 542 O ASN A 75 28.873 8.223 24.508 1.00 17.12 O ATOM 543 CB ASN A 75 30.336 9.222 26.759 1.00 20.33 C ATOM 544 CG ASN A 75 31.312 9.972 27.654 1.00 25.94 C ATOM 545 OD1 ASN A 75 32.189 10.686 27.174 1.00 27.10 O ATOM 546 ND2 ASN A 75 31.157 9.811 28.967 1.00 27.98 N ATOM 547 HD22 ASN A 75 30.400 9.197 29.330 1.00 0.00 H ATOM 548 HD21 ASN A 75 31.793 10.300 29.629 1.00 0.00 H ATOM 549 H ASN A 75 28.384 11.173 27.125 1.00 0.00 H ATOM 550 N ASP A 76 27.403 9.894 24.815 1.00 11.52 N ATOM 551 CA ASP A 76 26.262 9.148 24.283 1.00 12.89 C ATOM 552 C ASP A 76 25.505 9.978 23.245 1.00 12.33 C ATOM 553 O ASP A 76 25.481 11.205 23.320 1.00 12.51 O ATOM 554 CB ASP A 76 25.314 8.775 25.430 1.00 13.14 C ATOM 555 CG ASP A 76 24.262 7.764 25.019 1.00 15.14 C ATOM 556 OD1 ASP A 76 24.554 6.550 25.083 1.00 17.29 O ATOM 557 OD2 ASP A 76 23.148 8.180 24.637 1.00 14.37 O ATOM 558 H ASP A 76 27.275 10.890 25.087 1.00 0.00 H ATOM 559 N PRO A 77 24.871 9.321 22.260 1.00 12.57 N ATOM 560 CA PRO A 77 24.097 10.076 21.270 1.00 13.02 C ATOM 561 C PRO A 77 22.965 10.918 21.857 1.00 11.91 C ATOM 562 O PRO A 77 22.462 11.819 21.200 1.00 14.08 O ATOM 563 CB PRO A 77 23.582 8.997 20.315 1.00 13.16 C ATOM 564 CG PRO A 77 24.590 7.902 20.440 1.00 13.58 C ATOM 565 CD PRO A 77 25.003 7.902 21.885 1.00 14.43 C ATOM 566 N LEU A 78 22.570 10.631 23.095 1.00 12.82 N ATOM 567 CA LEU A 78 21.572 11.450 23.769 1.00 12.64 C ATOM 568 C LEU A 78 22.075 12.889 23.880 1.00 11.73 C ATOM 569 O LEU A 78 21.289 13.832 23.896 1.00 12.69 O ATOM 570 CB LEU A 78 21.288 10.887 25.165 1.00 12.87 C ATOM 571 CG LEU A 78 20.198 11.589 25.979 1.00 12.00 C ATOM 572 CD1 LEU A 78 18.893 11.594 25.202 1.00 14.23 C ATOM 573 CD2 LEU A 78 20.024 10.869 27.303 1.00 13.76 C ATOM 574 H LEU A 78 22.979 9.811 23.587 1.00 0.00 H ATOM 575 N GLY A 79 23.393 13.050 23.948 1.00 11.26 N ATOM 576 CA GLY A 79 23.963 14.386 23.994 1.00 11.42 C ATOM 577 C GLY A 79 23.637 15.228 22.774 1.00 13.52 C ATOM 578 O GLY A 79 23.294 16.400 22.898 1.00 14.36 O ATOM 579 H GLY A 79 24.017 12.218 23.968 1.00 0.00 H ATOM 580 N GLU A 80 23.752 14.637 21.589 1.00 14.27 N ATOM 581 CA GLU A 80 23.403 15.335 20.359 1.00 16.25 C ATOM 582 C GLU A 80 21.901 15.578 20.291 1.00 18.09 C ATOM 583 O GLU A 80 21.456 16.654 19.888 1.00 17.43 O ATOM 584 CB GLU A 80 23.857 14.520 19.142 1.00 16.01 C ATOM 585 CG GLU A 80 25.354 14.616 18.837 1.00 19.00 C ATOM 586 CD GLU A 80 26.195 13.590 19.584 1.00 20.06 C ATOM 587 OE1 GLU A 80 25.717 13.027 20.592 1.00 19.51 O ATOM 588 OE2 GLU A 80 27.345 13.344 19.160 1.00 20.76 O ATOM 589 H GLU A 80 24.098 13.657 21.539 1.00 0.00 H ATOM 590 N LEU A 81 21.126 14.578 20.704 1.00 19.99 N ATOM 591 CA LEU A 81 19.669 14.650 20.644 1.00 20.34 C ATOM 592 C LEU A 81 19.126 15.821 21.459 1.00 20.13 C ATOM 593 O LEU A 81 18.302 16.596 20.977 1.00 20.25 O ATOM 594 CB LEU A 81 19.061 13.347 21.163 1.00 20.23 C ATOM 595 CG LEU A 81 17.532 13.305 21.236 1.00 20.75 C ATOM 596 CD1 LEU A 81 16.947 13.485 19.841 1.00 22.10 C ATOM 597 CD2 LEU A 81 17.085 11.979 21.833 1.00 23.49 C ATOM 598 H LEU A 81 21.572 13.718 21.081 1.00 0.00 H ATOM 599 N PHE A 82 19.599 15.948 22.693 1.00 20.44 N ATOM 600 CA PHE A 82 19.105 16.978 23.597 1.00 21.26 C ATOM 601 C PHE A 82 19.895 18.275 23.454 1.00 21.61 C ATOM 602 O PHE A 82 19.411 19.348 23.814 1.00 22.15 O ATOM 603 CB PHE A 82 19.179 16.486 25.046 1.00 20.93 C ATOM 604 CG PHE A 82 18.014 15.622 25.465 1.00 20.54 C ATOM 605 CD1 PHE A 82 17.069 15.198 24.544 1.00 22.77 C ATOM 606 CD2 PHE A 82 17.852 15.261 26.795 1.00 22.70 C ATOM 607 CE1 PHE A 82 15.982 14.431 24.941 1.00 22.88 C ATOM 608 CE2 PHE A 82 16.767 14.494 27.198 1.00 21.87 C ATOM 609 CZ PHE A 82 15.832 14.080 26.268 1.00 22.77 C ATOM 610 H PHE A 82 20.340 15.297 23.022 1.00 0.00 H ATOM 611 N GLY A 83 21.115 18.172 22.940 1.00 19.01 N ATOM 612 CA GLY A 83 21.944 19.352 22.756 1.00 21.44 C ATOM 613 C GLY A 83 22.616 19.807 24.038 1.00 19.82 C ATOM 614 O GLY A 83 22.801 21.006 24.263 1.00 21.23 O ATOM 615 H GLY A 83 21.481 17.238 22.666 1.00 0.00 H ATOM 616 N VAL A 84 22.964 18.855 24.896 1.00 19.94 N ATOM 617 CA VAL A 84 23.630 19.168 26.153 1.00 18.44 C ATOM 618 C VAL A 84 24.689 18.126 26.478 1.00 19.58 C ATOM 619 O VAL A 84 24.716 17.048 25.886 1.00 19.35 O ATOM 620 CB VAL A 84 22.631 19.228 27.335 1.00 19.00 C ATOM 621 CG1 VAL A 84 21.598 20.316 27.091 1.00 19.53 C ATOM 622 CG2 VAL A 84 21.952 17.877 27.518 1.00 14.97 C ATOM 623 H VAL A 84 22.756 17.863 24.665 1.00 0.00 H ATOM 624 N GLN A 85 25.564 18.458 27.421 1.00 19.65 N ATOM 625 CA GLN A 85 26.561 17.511 27.902 1.00 19.32 C ATOM 626 C GLN A 85 26.031 16.739 29.106 1.00 19.70 C ATOM 627 O GLN A 85 26.253 15.540 29.224 1.00 17.22 O ATOM 628 CB GLN A 85 27.849 18.247 28.279 1.00 24.02 C ATOM 629 CG GLN A 85 28.483 19.005 27.119 1.00 29.10 C ATOM 630 CD GLN A 85 29.676 19.838 27.546 1.00 32.04 C ATOM 631 OE1 GLN A 85 30.766 19.712 26.987 1.00 35.14 O ATOM 632 NE2 GLN A 85 29.476 20.697 28.540 1.00 33.88 N ATOM 633 HE22 GLN A 85 28.538 20.770 28.983 1.00 0.00 H ATOM 634 HE21 GLN A 85 30.257 21.296 28.875 1.00 0.00 H ATOM 635 H GLN A 85 25.537 19.416 27.825 1.00 0.00 H ATOM 636 N GLU A 86 25.329 17.428 30.000 1.00 17.79 N ATOM 637 CA GLU A 86 24.617 16.747 31.072 1.00 18.91 C ATOM 638 C GLU A 86 23.380 17.522 31.506 1.00 19.14 C ATOM 639 O GLU A 86 23.282 18.731 31.287 1.00 19.50 O ATOM 640 CB GLU A 86 25.548 16.502 32.270 1.00 23.58 C ATOM 641 CG GLU A 86 26.338 17.707 32.739 1.00 26.59 C ATOM 642 CD GLU A 86 27.651 17.913 31.989 1.00 24.05 C ATOM 643 OE1 GLU A 86 28.212 16.945 31.422 1.00 20.55 O ATOM 644 OE2 GLU A 86 28.127 19.064 31.972 1.00 30.88 O ATOM 645 H GLU A 86 25.288 18.465 29.933 1.00 0.00 H ATOM 646 N PHE A 87 22.423 16.817 32.097 1.00 16.53 N ATOM 647 CA PHE A 87 21.247 17.466 32.656 1.00 16.47 C ATOM 648 C PHE A 87 20.810 16.786 33.939 1.00 16.89 C ATOM 649 O PHE A 87 21.245 15.676 34.257 1.00 17.32 O ATOM 650 CB PHE A 87 20.087 17.476 31.642 1.00 15.34 C ATOM 651 CG PHE A 87 19.514 16.115 31.339 1.00 15.51 C ATOM 652 CD1 PHE A 87 18.409 15.640 32.031 1.00 14.88 C ATOM 653 CD2 PHE A 87 20.060 15.328 30.340 1.00 14.13 C ATOM 654 CE1 PHE A 87 17.861 14.404 31.730 1.00 16.58 C ATOM 655 CE2 PHE A 87 19.520 14.091 30.031 1.00 14.21 C ATOM 656 CZ PHE A 87 18.420 13.630 30.727 1.00 13.10 C ATOM 657 H PHE A 87 22.515 15.783 32.162 1.00 0.00 H ATOM 658 N SER A 88 19.954 17.468 34.687 1.00 17.95 N ATOM 659 CA SER A 88 19.432 16.931 35.928 1.00 17.06 C ATOM 660 C SER A 88 17.994 16.460 35.754 1.00 17.65 C ATOM 661 O SER A 88 17.186 17.144 35.124 1.00 17.53 O ATOM 662 CB SER A 88 19.487 17.997 37.017 1.00 20.11 C ATOM 663 OG SER A 88 18.710 17.599 38.123 1.00 18.18 O ATOM 664 HG SER A 88 19.063 16.747 38.483 1.00 0.00 H ATOM 665 H SER A 88 19.649 18.412 34.375 1.00 0.00 H ATOM 666 N VAL A 89 17.677 15.302 36.325 1.00 17.26 N ATOM 667 CA VAL A 89 16.334 14.738 36.205 1.00 18.26 C ATOM 668 C VAL A 89 15.313 15.543 36.997 1.00 19.24 C ATOM 669 O VAL A 89 14.109 15.318 36.881 1.00 19.34 O ATOM 670 CB VAL A 89 16.291 13.276 36.686 1.00 18.30 C ATOM 671 CG1 VAL A 89 17.268 12.444 35.871 1.00 20.25 C ATOM 672 CG2 VAL A 89 16.634 13.195 38.168 1.00 19.86 C ATOM 673 H VAL A 89 18.399 14.787 36.868 1.00 0.00 H ATOM 674 N LYS A 90 15.796 16.487 37.797 1.00 18.71 N ATOM 675 CA LYS A 90 14.906 17.342 38.571 1.00 19.95 C ATOM 676 C LYS A 90 14.508 18.592 37.800 1.00 19.76 C ATOM 677 O LYS A 90 13.668 19.368 38.256 1.00 22.05 O ATOM 678 CB LYS A 90 15.568 17.733 39.891 1.00 19.31 C ATOM 679 CG LYS A 90 15.728 16.571 40.851 1.00 22.81 C ATOM 680 CD LYS A 90 16.469 16.992 42.106 1.00 24.50 C ATOM 681 CE LYS A 90 16.670 15.809 43.038 1.00 25.41 C ATOM 682 NZ LYS A 90 15.366 15.223 43.464 1.00 26.44 N ATOM 683 HZ1 LYS A 90 14.809 15.946 43.963 1.00 0.00 H ATOM 684 HZ2 LYS A 90 14.843 14.898 42.626 1.00 0.00 H ATOM 685 HZ3 LYS A 90 15.540 14.418 44.099 1.00 0.00 H ATOM 686 H LYS A 90 16.825 16.618 37.872 1.00 0.00 H ATOM 687 N GLU A 91 15.105 18.783 36.628 1.00 19.02 N ATOM 688 CA GLU A 91 14.787 19.936 35.794 1.00 18.19 C ATOM 689 C GLU A 91 13.735 19.562 34.759 1.00 17.57 C ATOM 690 O GLU A 91 14.050 19.395 33.581 1.00 17.33 O ATOM 691 CB GLU A 91 16.039 20.427 35.074 1.00 20.16 C ATOM 692 CG GLU A 91 17.186 20.789 35.990 1.00 25.64 C ATOM 693 CD GLU A 91 18.452 21.082 35.218 1.00 26.00 C ATOM 694 OE1 GLU A 91 19.303 20.176 35.101 1.00 31.50 O ATOM 695 OE2 GLU A 91 18.594 22.216 34.722 1.00 27.85 O ATOM 696 H GLU A 91 15.813 18.096 36.299 1.00 0.00 H ATOM 697 N HIS A 92 12.488 19.447 35.200 1.00 16.21 N ATOM 698 CA HIS A 92 11.442 18.868 34.370 1.00 16.33 C ATOM 699 C HIS A 92 11.045 19.740 33.187 1.00 16.99 C ATOM 700 O HIS A 92 10.757 19.230 32.106 1.00 15.49 O ATOM 701 CB HIS A 92 10.215 18.553 35.226 1.00 15.45 C ATOM 702 CG HIS A 92 10.411 17.389 36.147 1.00 15.99 C ATOM 703 ND1 HIS A 92 9.365 16.632 36.625 1.00 16.41 N ATOM 704 CD2 HIS A 92 11.539 16.829 36.645 1.00 16.37 C ATOM 705 CE1 HIS A 92 9.838 15.652 37.375 1.00 18.87 C ATOM 706 NE2 HIS A 92 11.155 15.749 37.402 1.00 19.14 N ATOM 707 H HIS A 92 12.254 19.777 36.158 1.00 0.00 H ATOM 708 N ARG A 93 11.025 21.052 33.375 1.00 16.35 N ATOM 709 CA ARG A 93 10.691 21.936 32.266 1.00 17.48 C ATOM 710 C ARG A 93 11.765 21.860 31.179 1.00 17.08 C ATOM 711 O ARG A 93 11.463 21.889 29.987 1.00 17.43 O ATOM 712 CB ARG A 93 10.538 23.376 32.766 1.00 19.38 C ATOM 713 CG ARG A 93 9.516 23.526 33.889 1.00 23.67 C ATOM 714 CD ARG A 93 9.091 24.978 34.083 1.00 27.68 C ATOM 715 NE ARG A 93 8.336 25.450 32.929 1.00 29.52 N ATOM 716 CZ ARG A 93 7.159 26.065 32.987 1.00 27.31 C ATOM 717 NH1 ARG A 93 6.570 26.308 34.154 1.00 27.38 N ATOM 718 NH2 ARG A 93 6.558 26.418 31.862 1.00 24.62 N ATOM 719 HE ARG A 93 8.750 25.294 31.988 1.00 0.00 H ATOM 720 HH12 ARG A 93 5.649 26.790 34.181 1.00 0.00 H ATOM 721 HH11 ARG A 93 7.030 26.016 35.040 1.00 0.00 H ATOM 722 HH22 ARG A 93 5.637 26.900 31.894 1.00 0.00 H ATOM 723 HH21 ARG A 93 7.007 26.214 30.946 1.00 0.00 H ATOM 724 H ARG A 93 11.247 21.449 34.310 1.00 0.00 H ATOM 725 N ARG A 94 13.019 21.747 31.598 1.00 17.24 N ATOM 726 CA ARG A 94 14.135 21.617 30.667 1.00 17.07 C ATOM 727 C ARG A 94 14.038 20.318 29.869 1.00 16.16 C ATOM 728 O ARG A 94 14.282 20.298 28.661 1.00 14.88 O ATOM 729 CB ARG A 94 15.458 21.654 31.442 1.00 19.73 C ATOM 730 CG ARG A 94 16.706 21.470 30.591 1.00 25.82 C ATOM 731 CD ARG A 94 17.934 21.321 31.483 1.00 29.66 C ATOM 732 NE ARG A 94 19.177 21.170 30.730 1.00 31.15 N ATOM 733 CZ ARG A 94 20.364 20.968 31.294 1.00 31.97 C ATOM 734 NH1 ARG A 94 20.467 20.893 32.614 1.00 34.10 N ATOM 735 NH2 ARG A 94 21.450 20.843 30.545 1.00 32.58 N ATOM 736 HE ARG A 94 19.131 21.224 29.692 1.00 0.00 H ATOM 737 HH12 ARG A 94 21.396 20.735 33.055 1.00 0.00 H ATOM 738 HH11 ARG A 94 19.619 20.992 33.208 1.00 0.00 H ATOM 739 HH22 ARG A 94 22.375 20.685 30.993 1.00 0.00 H ATOM 740 HH21 ARG A 94 21.377 20.903 29.509 1.00 0.00 H ATOM 741 H ARG A 94 13.212 21.751 32.620 1.00 0.00 H ATOM 742 N ILE A 95 13.676 19.234 30.546 1.00 14.84 N ATOM 743 CA ILE A 95 13.568 17.939 29.888 1.00 13.99 C ATOM 744 C ILE A 95 12.412 17.917 28.891 1.00 13.14 C ATOM 745 O ILE A 95 12.534 17.355 27.804 1.00 14.26 O ATOM 746 CB ILE A 95 13.383 16.811 30.925 1.00 14.34 C ATOM 747 CG1 ILE A 95 14.681 16.622 31.717 1.00 15.22 C ATOM 748 CG2 ILE A 95 12.970 15.520 30.232 1.00 14.16 C ATOM 749 CD1 ILE A 95 14.553 15.650 32.873 1.00 15.22 C ATOM 750 H ILE A 95 13.466 19.311 31.562 1.00 0.00 H ATOM 751 N TYR A 96 11.291 18.533 29.254 1.00 13.17 N ATOM 752 CA TYR A 96 10.177 18.648 28.317 1.00 12.36 C ATOM 753 C TYR A 96 10.564 19.481 27.101 1.00 13.77 C ATOM 754 O TYR A 96 10.160 19.180 25.982 1.00 14.61 O ATOM 755 CB TYR A 96 8.955 19.267 29.008 1.00 13.43 C ATOM 756 CG TYR A 96 8.021 18.254 29.626 1.00 12.87 C ATOM 757 CD1 TYR A 96 6.757 18.034 29.093 1.00 15.59 C ATOM 758 CD2 TYR A 96 8.400 17.511 30.738 1.00 16.46 C ATOM 759 CE1 TYR A 96 5.896 17.103 29.649 1.00 15.98 C ATOM 760 CE2 TYR A 96 7.542 16.571 31.301 1.00 18.61 C ATOM 761 CZ TYR A 96 6.294 16.375 30.750 1.00 18.88 C ATOM 762 OH TYR A 96 5.439 15.442 31.290 1.00 22.05 O ATOM 763 HH TYR A 96 5.861 14.547 31.250 1.00 0.00 H ATOM 764 H TYR A 96 11.207 18.935 30.210 1.00 0.00 H ATOM 765 N ALA A 97 11.343 20.535 27.316 1.00 14.40 N ATOM 766 CA ALA A 97 11.771 21.383 26.208 1.00 14.47 C ATOM 767 C ALA A 97 12.679 20.606 25.258 1.00 15.31 C ATOM 768 O ALA A 97 12.550 20.709 24.038 1.00 15.33 O ATOM 769 CB ALA A 97 12.496 22.605 26.740 1.00 16.06 C ATOM 770 H ALA A 97 11.651 20.758 28.284 1.00 0.00 H ATOM 771 N MET A 98 13.587 19.815 25.821 1.00 15.06 N ATOM 772 CA MET A 98 14.520 19.050 25.009 1.00 15.97 C ATOM 773 C MET A 98 13.791 17.981 24.198 1.00 14.55 C ATOM 774 O MET A 98 14.153 17.710 23.058 1.00 17.08 O ATOM 775 CB MET A 98 15.600 18.421 25.902 1.00 16.56 C ATOM 776 CG MET A 98 16.485 19.471 26.590 1.00 18.42 C ATOM 777 SD MET A 98 17.903 18.853 27.542 1.00 22.76 S ATOM 778 CE MET A 98 17.083 17.916 28.778 1.00 21.81 C ATOM 779 H MET A 98 13.631 19.742 26.858 1.00 0.00 H ATOM 780 N ILE A 99 12.747 17.397 24.776 1.00 13.89 N ATOM 781 CA ILE A 99 11.928 16.425 24.063 1.00 13.32 C ATOM 782 C ILE A 99 11.098 17.097 22.965 1.00 14.69 C ATOM 783 O ILE A 99 10.981 16.573 21.858 1.00 15.86 O ATOM 784 CB ILE A 99 10.993 15.671 25.046 1.00 14.13 C ATOM 785 CG1 ILE A 99 11.832 14.786 25.974 1.00 14.67 C ATOM 786 CG2 ILE A 99 9.965 14.849 24.276 1.00 14.64 C ATOM 787 CD1 ILE A 99 11.053 14.188 27.129 1.00 15.23 C ATOM 788 H ILE A 99 12.509 17.639 25.759 1.00 0.00 H ATOM 789 N SER A 100 10.541 18.267 23.265 1.00 15.80 N ATOM 790 CA SER A 100 9.665 18.960 22.323 1.00 17.20 C ATOM 791 C SER A 100 10.368 19.359 21.028 1.00 17.76 C ATOM 792 O SER A 100 9.730 19.469 19.974 1.00 17.10 O ATOM 793 CB SER A 100 9.072 20.202 22.985 1.00 19.46 C ATOM 794 OG SER A 100 8.264 19.838 24.086 1.00 24.52 O ATOM 795 HG SER A 100 8.813 19.350 24.750 1.00 0.00 H ATOM 796 H SER A 100 10.733 18.699 24.191 1.00 0.00 H ATOM 797 N ARG A 101 11.675 19.586 21.104 1.00 16.24 N ATOM 798 CA ARG A 101 12.445 19.930 19.914 1.00 17.55 C ATOM 799 C ARG A 101 12.549 18.714 19.009 1.00 16.50 C ATOM 800 O ARG A 101 12.947 18.819 17.849 1.00 18.78 O ATOM 801 CB ARG A 101 13.848 20.407 20.299 1.00 21.08 C ATOM 802 CG ARG A 101 13.866 21.741 21.021 1.00 24.42 C ATOM 803 CD ARG A 101 15.283 22.263 21.183 1.00 29.20 C ATOM 804 NE ARG A 101 16.110 21.366 21.985 1.00 30.82 N ATOM 805 CZ ARG A 101 16.340 21.520 23.286 1.00 33.20 C ATOM 806 NH1 ARG A 101 15.805 22.541 23.946 1.00 32.25 N ATOM 807 NH2 ARG A 101 17.109 20.652 23.928 1.00 33.59 N ATOM 808 HE ARG A 101 16.548 20.553 21.507 1.00 0.00 H ATOM 809 HH12 ARG A 101 15.988 22.656 24.963 1.00 0.00 H ATOM 810 HH11 ARG A 101 15.203 23.225 23.446 1.00 0.00 H ATOM 811 HH22 ARG A 101 17.290 20.771 24.945 1.00 0.00 H ATOM 812 HH21 ARG A 101 17.531 19.852 23.415 1.00 0.00 H ATOM 813 H ARG A 101 12.155 19.517 22.024 1.00 0.00 H ATOM 814 N ASN A 102 12.178 17.557 19.545 1.00 14.47 N ATOM 815 CA ASN A 102 12.310 16.305 18.822 1.00 11.67 C ATOM 816 C ASN A 102 10.971 15.607 18.623 1.00 11.78 C ATOM 817 O ASN A 102 10.887 14.378 18.645 1.00 11.09 O ATOM 818 CB ASN A 102 13.292 15.398 19.561 1.00 13.24 C ATOM 819 CG ASN A 102 14.707 15.950 19.533 1.00 14.84 C ATOM 820 OD1 ASN A 102 15.391 15.868 18.514 1.00 16.54 O ATOM 821 ND2 ASN A 102 15.144 16.529 20.644 1.00 15.76 N ATOM 822 HD22 ASN A 102 14.530 16.575 21.482 1.00 0.00 H ATOM 823 HD21 ASN A 102 16.100 16.937 20.677 1.00 0.00 H ATOM 824 H ASN A 102 11.783 17.548 20.507 1.00 0.00 H ATOM 825 N LEU A 103 9.927 16.412 18.437 1.00 12.49 N ATOM 826 CA LEU A 103 8.601 15.912 18.086 1.00 13.22 C ATOM 827 C LEU A 103 8.165 16.557 16.780 1.00 15.24 C ATOM 828 O LEU A 103 8.535 17.700 16.489 1.00 16.55 O ATOM 829 CB LEU A 103 7.591 16.259 19.185 1.00 15.80 C ATOM 830 CG LEU A 103 7.875 15.714 20.586 1.00 13.25 C ATOM 831 CD1 LEU A 103 6.794 16.180 21.562 1.00 16.33 C ATOM 832 CD2 LEU A 103 7.928 14.195 20.531 1.00 14.57 C ATOM 833 H LEU A 103 10.061 17.438 18.546 1.00 0.00 H ATOM 834 N VAL A 104 7.382 15.827 15.994 1.00 15.44 N ATOM 835 CA VAL A 104 6.788 16.384 14.785 1.00 18.71 C ATOM 836 C VAL A 104 5.728 17.412 15.157 1.00 21.52 C ATOM 837 O VAL A 104 4.931 17.187 16.069 1.00 21.51 O ATOM 838 CB VAL A 104 6.122 15.284 13.937 1.00 18.36 C ATOM 839 CG1 VAL A 104 5.380 15.911 12.761 1.00 17.10 C ATOM 840 CG2 VAL A 104 7.170 14.305 13.444 1.00 16.93 C ATOM 841 H VAL A 104 7.189 14.837 16.246 1.00 0.00 H ATOM 842 N SER A 105 5.718 18.541 14.454 1.00 25.20 N ATOM 843 CA SER A 105 4.643 19.516 14.608 1.00 30.47 C ATOM 844 C SER A 105 3.858 19.680 13.309 1.00 31.94 C ATOM 845 O SER A 105 4.349 19.216 12.258 1.00 34.06 O ATOM 846 CB SER A 105 5.214 20.870 15.034 1.00 31.67 C ATOM 847 OG SER A 105 5.864 20.781 16.289 1.00 35.98 O ATOM 848 OXT SER A 105 2.766 20.283 13.355 1.00 34.63 O ATOM 849 HG SER A 105 6.607 20.129 16.229 1.00 0.00 H ATOM 850 H SER A 105 6.489 18.732 13.783 1.00 0.00 H TER 851 SER A 105 HETATM 852 O HOH 1 16.563 1.790 17.408 1.00 29.32 O HETATM 853 O HOH 2 17.839 10.156 39.719 1.00 27.56 O HETATM 854 O HOH 3 25.574 4.941 36.827 1.00 30.86 O HETATM 855 O HOH 4 1.603 5.545 30.613 1.00 30.02 O HETATM 856 O HOH 5 5.513 6.463 33.662 1.00 33.51 O HETATM 857 O HOH 6 27.486 9.836 28.354 1.00 15.40 O HETATM 858 O HOH 7 14.917 13.364 17.015 1.00 13.48 O HETATM 859 O HOH 8 11.142 0.689 27.513 1.00 19.72 O HETATM 860 O HOH 9 29.751 8.544 37.494 1.00 21.10 O HETATM 861 O HOH 10 11.055 3.171 13.118 1.00 33.17 O HETATM 862 O HOH 11 3.187 21.219 10.155 1.00 38.05 O HETATM 863 O HOH 12 15.560 -1.208 28.044 1.00 36.67 O HETATM 864 O HOH 13 -2.169 6.400 28.739 1.00 35.63 O HETATM 865 O HOH 14 16.012 5.052 12.202 1.00 33.90 O HETATM 866 O HOH 15 28.335 6.792 28.038 1.00 34.08 O HETATM 867 O HOH 16 28.852 8.246 30.138 1.00 39.26 O HETATM 868 O HOH 17 27.556 -0.672 34.786 1.00 42.21 O HETATM 869 O HOH 18 17.263 18.962 20.731 1.00 34.15 O HETATM 870 O HOH 19 23.681 6.134 40.108 1.00 33.47 O HETATM 871 O HOH 20 0.880 13.682 25.986 1.00 16.65 O HETATM 872 O HOH 21 -1.922 14.050 18.513 1.00 18.64 O HETATM 873 O HOH 22 7.436 8.754 15.362 1.00 16.01 O HETATM 874 O HOH 23 1.497 14.808 17.624 1.00 22.47 O HETATM 875 O HOH 24 4.206 15.353 17.909 1.00 17.28 O HETATM 876 O HOH 25 0.300 7.406 29.232 1.00 20.70 O HETATM 877 O HOH 26 11.803 4.596 33.160 1.00 22.96 O HETATM 878 O HOH 27 19.996 16.974 17.371 1.00 45.99 O HETATM 879 O HOH 28 11.578 23.005 22.837 1.00 29.78 O HETATM 880 O HOH 29 22.279 5.110 21.207 1.00 34.35 O HETATM 881 O HOH 30 1.451 18.895 18.246 1.00 40.02 O HETATM 882 O HOH 31 4.079 17.971 19.424 1.00 37.10 O HETATM 883 O HOH 32 9.241 10.729 12.689 1.00 20.15 O HETATM 884 O HOH 33 6.787 8.640 12.770 1.00 29.09 O HETATM 885 O HOH 34 14.019 6.511 13.513 1.00 22.48 O HETATM 886 O HOH 35 13.262 4.109 14.710 1.00 27.21 O HETATM 887 O HOH 36 15.175 2.103 14.929 1.00 28.42 O HETATM 888 O HOH 37 9.331 -1.165 28.013 1.00 36.25 O HETATM 889 O HOH 38 9.796 -1.984 30.632 1.00 32.64 O HETATM 890 O HOH 39 -0.186 5.576 19.970 1.00 30.70 O HETATM 891 O HOH 40 1.212 12.176 29.248 1.00 22.00 O HETATM 892 O HOH 41 2.260 14.278 31.060 1.00 41.77 O HETATM 893 O HOH 42 5.684 13.647 33.147 1.00 32.46 O HETATM 894 O HOH 43 6.781 8.594 32.697 1.00 19.90 O HETATM 895 O HOH 44 9.031 7.975 33.904 1.00 30.30 O HETATM 896 O HOH 45 4.857 2.483 24.897 1.00 33.26 O HETATM 897 O HOH 46 5.621 0.727 23.210 1.00 36.91 O HETATM 898 O HOH 47 15.886 5.842 34.716 1.00 20.52 O HETATM 899 O HOH 48 26.662 3.250 27.620 1.00 28.40 O HETATM 900 O HOH 49 26.913 5.645 26.126 1.00 19.36 O HETATM 901 O HOH 50 23.257 4.517 35.328 1.00 20.77 O HETATM 902 O HOH 51 30.895 10.827 38.322 1.00 23.23 O HETATM 903 O HOH 52 28.501 14.045 30.560 1.00 17.67 O HETATM 904 O HOH 53 27.208 13.432 22.886 1.00 15.77 O HETATM 905 O HOH 54 29.787 14.636 23.257 1.00 26.73 O HETATM 906 O HOH 55 12.377 13.773 39.154 1.00 31.71 O HETATM 907 O HOH 56 11.232 20.835 37.585 1.00 24.26 O HETATM 908 O HOH 57 12.625 7.276 11.448 1.00 31.76 O HETATM 909 O HOH 58 -9.627 14.774 26.965 1.00 27.86 O HETATM 910 O HOH 59 17.265 17.547 17.374 1.00 36.99 O HETATM 911 O HOH 60 10.269 5.743 35.044 1.00 43.10 O HETATM 912 O HOH 61 8.204 19.451 13.083 1.00 38.97 O HETATM 913 O HOH 62 22.432 11.179 44.798 1.00 32.14 O HETATM 914 O HOH 63 25.706 20.900 22.779 1.00 31.84 O HETATM 915 O HOH 64 -8.375 12.173 28.029 1.00 36.73 O HETATM 916 O HOH 65 13.360 25.892 32.827 1.00 33.93 O HETATM 917 O HOH 66 23.997 22.318 29.549 1.00 39.48 O HETATM 918 O HOH 67 8.397 21.526 26.026 1.00 43.52 O HETATM 919 O HOH 68 -0.474 10.112 30.377 1.00 34.55 O HETATM 920 O HOH 69 25.669 21.510 27.642 1.00 38.06 O HETATM 921 O HOH 70 5.383 6.655 11.661 1.00 54.94 O HETATM 922 O HOH 71 7.792 20.236 18.120 1.00 42.89 O HETATM 923 O HOH 72 27.687 10.647 47.324 1.00 55.15 O HETATM 924 O HOH 73 33.484 3.062 38.111 1.00 45.25 O HETATM 925 O HOH 74 1.945 4.133 16.613 1.00 32.63 O HETATM 926 O HOH 75 -4.139 8.548 24.305 1.00 32.85 O HETATM 927 O HOH 76 -2.103 16.683 18.366 1.00 33.32 O HETATM 928 O HOH 77 9.798 20.489 16.420 1.00 59.91 O HETATM 929 O HOH 78 28.817 4.254 32.624 1.00 41.26 O HETATM 930 O HOH 79 27.570 14.210 47.219 1.00 42.21 O HETATM 931 O HOH 80 -0.630 10.937 32.856 1.00 44.37 O HETATM 932 O HOH 81 13.980 24.620 23.595 1.00 41.32 O HETATM 933 O HOH 82 14.639 13.266 41.855 1.00 38.39 O HETATM 934 O HOH 83 26.615 17.770 22.378 1.00 42.30 O HETATM 935 O HOH 84 10.270 23.039 20.543 1.00 40.23 O HETATM 936 O HOH 85 -9.860 17.263 26.033 1.00 43.36 O HETATM 937 O HOH 86 16.205 -0.795 17.967 1.00 36.47 O HETATM 938 O HOH 87 31.224 6.585 30.036 1.00 47.12 O HETATM 939 O HOH 88 25.691 20.405 29.914 1.00 37.34 O HETATM 940 O HOH 89 27.842 4.399 30.175 1.00 39.70 O HETATM 941 O HOH 90 6.025 11.013 34.011 1.00 37.79 O HETATM 942 O HOH 91 32.068 5.164 41.760 1.00 46.22 O HETATM 943 O HOH 92 19.110 1.486 17.023 1.00 42.13 O HETATM 944 O HOH 93 12.857 25.290 29.767 1.00 42.65 O HETATM 945 O HOH 94 23.463 18.544 42.701 1.00 48.25 O HETATM 946 O HOH 95 7.453 -1.702 25.515 1.00 45.65 O HETATM 947 O HOH 96 29.289 5.182 44.863 1.00 46.35 O HETATM 948 O HOH 97 24.170 22.994 26.083 1.00 40.97 O HETATM 949 O HOH 98 20.684 6.279 39.657 1.00 38.24 O HETATM 950 O HOH 99 17.147 12.132 41.369 1.00 39.01 O HETATM 951 O HOH 100 18.554 23.232 36.988 1.00 33.04 O HETATM 952 O HOH 101 24.481 4.411 23.397 1.00 35.42 O HETATM 953 C9 UNN A 102 12.901 10.171 33.075 1.00 0.09 C HETATM 954 C8 UNN A 102 13.574 10.525 34.206 1.00 -0.03 C HETATM 955 C3 UNN A 102 12.853 10.093 35.440 1.00 0.05 C HETATM 956 C2 UNN A 102 11.715 9.285 34.811 1.00 0.21 C HETATM 957 N1 UNN A 102 11.785 9.400 33.434 1.00 -0.22 N HETATM 958 H UNN A 102 11.136 8.994 32.790 1.00 0.24 H HETATM 959 O2 UNN A 102 10.848 8.619 35.393 1.00 -0.32 O HETATM 960 C10 UNN A 102 12.335 11.345 36.204 1.00 -0.04 C HETATM 961 C11 UNN A 102 11.208 12.043 35.463 1.00 -0.05 C HETATM 962 C12 UNN A 102 11.420 13.257 34.798 1.00 -0.05 C HETATM 963 C13 UNN A 102 10.308 13.866 34.122 1.00 0.03 C HETATM 964 CL1 UNN A 102 10.474 15.325 33.319 1.00 -0.07 CL HETATM 965 C14 UNN A 102 9.041 13.246 34.124 1.00 -0.05 C HETATM 966 C15 UNN A 102 8.872 12.057 34.794 1.00 -0.07 C HETATM 967 C16 UNN A 102 9.938 11.452 35.462 1.00 -0.06 C HETATM 968 H UNN A 102 9.781 10.516 35.985 1.00 0.06 H HETATM 969 H UNN A 102 7.897 11.583 34.803 1.00 0.06 H HETATM 970 H UNN A 102 8.208 13.703 33.602 1.00 0.06 H HETATM 971 H UNN A 102 12.398 13.725 34.793 1.00 0.06 H HETATM 972 H UNN A 102 13.168 12.053 36.330 1.00 0.03 H HETATM 973 H UNN A 102 11.968 11.030 37.192 1.00 0.03 H HETATM 974 C31 UNN A 102 13.748 9.210 36.332 1.00 -0.04 C HETATM 975 C32 UNN A 102 12.917 8.286 37.226 1.00 0.03 C HETATM 976 N33 UNN A 102 13.811 7.484 38.082 1.00 -0.27 N HETATM 977 C34 UNN A 102 14.806 8.208 38.891 1.00 0.03 C HETATM 978 C35 UNN A 102 15.624 9.157 38.002 1.00 -0.03 C HETATM 979 C36 UNN A 102 14.695 10.062 37.183 1.00 -0.06 C HETATM 980 H UNN A 102 14.105 10.691 37.866 1.00 0.03 H HETATM 981 H UNN A 102 15.299 10.703 36.524 1.00 0.03 H HETATM 982 H UNN A 102 16.247 8.564 37.317 1.00 0.03 H HETATM 983 H UNN A 102 16.270 9.781 38.637 1.00 0.03 H HETATM 984 H UNN A 102 15.483 7.484 39.368 1.00 0.05 H HETATM 985 H UNN A 102 14.288 8.792 39.666 1.00 0.05 H HETATM 986 C33 UNN A 102 13.865 6.153 37.965 1.00 0.18 C HETATM 987 O33 UNN A 102 14.741 5.512 38.559 1.00 -0.40 O HETATM 988 C37 UNN A 102 12.820 5.517 37.091 1.00 0.03 C HETATM 989 H UNN A 102 12.969 4.427 37.075 1.00 0.05 H HETATM 990 H UNN A 102 12.906 5.914 36.069 1.00 0.05 H HETATM 991 H UNN A 102 11.820 5.745 37.490 1.00 0.05 H HETATM 992 H UNN A 102 12.314 7.614 36.597 1.00 0.05 H HETATM 993 H UNN A 102 12.252 8.892 37.859 1.00 0.05 H HETATM 994 H UNN A 102 14.361 8.579 35.671 1.00 0.02 H HETATM 995 C4 UNN A 102 14.754 11.241 34.136 1.00 -0.06 C HETATM 996 C5 UNN A 102 15.197 11.665 32.886 1.00 -0.03 C HETATM 997 C6 UNN A 102 14.408 11.369 31.720 1.00 0.06 C HETATM 998 C7 UNN A 102 13.255 10.538 31.801 1.00 0.00 C HETATM 999 H UNN A 102 12.700 10.220 30.925 1.00 0.06 H HETATM 1000 CL6 UNN A 102 14.835 12.059 30.278 1.00 -0.05 CL HETATM 1001 H UNN A 102 16.128 12.213 32.792 1.00 0.06 H HETATM 1002 H UNN A 102 15.321 11.467 35.032 1.00 0.08 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 953 954 957 998 CONECT 954 953 955 995 CONECT 955 954 956 960 974 CONECT 956 955 957 959 CONECT 957 953 956 958 CONECT 958 957 CONECT 959 956 CONECT 960 955 961 972 973 CONECT 961 960 962 967 CONECT 962 961 963 971 CONECT 963 962 964 965 CONECT 964 963 CONECT 965 963 966 970 CONECT 966 965 967 969 CONECT 967 961 966 968 CONECT 968 967 CONECT 969 966 CONECT 970 965 CONECT 971 962 CONECT 972 960 CONECT 973 960 CONECT 974 955 975 979 994 CONECT 975 974 976 992 993 CONECT 976 975 977 986 CONECT 977 976 978 984 985 CONECT 978 977 979 982 983 CONECT 979 974 978 980 981 CONECT 980 979 CONECT 981 979 CONECT 982 978 CONECT 983 978 CONECT 984 977 CONECT 985 977 CONECT 986 976 987 988 CONECT 987 986 CONECT 988 986 989 990 991 CONECT 989 988 CONECT 990 988 CONECT 991 988 CONECT 992 975 CONECT 993 975 CONECT 994 974 CONECT 995 954 996 1002 CONECT 996 995 997 1001 CONECT 997 996 998 1000 CONECT 998 953 997 999 CONECT 999 998 CONECT 1000 997 CONECT 1001 996 CONECT 1002 995 MASTER 0 0 0 0 0 0 0 0 1001 1 54 7 END
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Related entries of code: 4lwt
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Protein Sequence Similarity
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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
4lwt
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Humanized Xenopus E3 ubiquitin-protein ligase Mdm2
Ligand Name
20Q
EC.Number
E.C.6.3.2
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
IC50=3.9uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Bioorg.Med.Chem. Vol. 22: pp. 4001-4009
Ligand Properties
Formula
C
2
2
H
2
2
Cl
2
N
2
O
2
Molecular Weight
417.328
Exact Mass
416.106
No. of atoms
50
No. of bonds
53
Polar Surface Area
49.41
LOGP Value
4.08 (
Computed with XLOGP3
)
4.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
Clc1ccc2c(c1)NC(=O)[C@@]2(Cc1cccc(c1)Cl)[C@H]1CCCN(C1)C(=O)C
InChI String
InChI=1S/C22H22Cl2N2O2/c1-14(27)26-9-3-5-16(13-26)22(12-15-4-2-6-17(23)10-15)19-8-7-18(24)11-20(19)25-21(22)28/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,25,28)/t16-,22-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P56273
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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